A0A077Z644_TRITR Loading...

Trypsin domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z644, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 177 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
1M82.9Confident87Confident160 Ų16073.3 Ų73.379%0.78837%0.368SS*.  01410-180166.975.400108.8V23 V40M1-V23 HydrophobicContact CB-CB 4.25Å; M1-V23 HydrophobicContact CB-CG2 3.85Å; M1-V23 HydrophobicContact CE-CG2 3.69Å; M1-V23 HydrophobicContact CG-CG2 4.29Å; M1-V23 PolarHBondContact O-N 3.23Å; M1-V40 HydrophobicContact CE-CG1 4.41Å
2R89.1Confident86.9Confident179 Ų17974.6 Ų74.668%0.67537%0.372SS*.EExtended strand (participates in β ladder)trans-98.7137.2176-64.8173.177.7-176.77.6109.1I20R2-I20 HydrophobicContact CB-CG2 4.15Å; R2-I20 HydrophobicContact CG-CG2 4.39Å
3V89.5Confident86.8Confident32 Ų3271.5 Ų71.519%0.19436%0.357CS..EExtended strand (participates in β ladder)trans-118.2131.1174.7176.80000108.9T5 I20 S21 V23 F42V3-T5 HydrophobicContact CG1-CG2 4.23Å; V3-I20 WeakPolarHBondContact O-CA 3.19Å; V3-S21 PolarHBondContact N-O 3.23Å; V3-S21 PolarHBondContact O-N 3.01Å; V3-V23 HydrophobicContact CG2-CG2 4.03Å; V3-F42 HydrophobicContact CB-CD1 4.3Å; V3-F42 HydrophobicContact CB-CE1 3.84Å; V3-F42 HydrophobicContact CB-CZ 4.32Å; V3-F42 HydrophobicContact CG1-CE1 4.06Å; V3-F42 HydrophobicContact CG1-CZ 4.02Å; V3-F42 HydrophobicContact CG2-CD1 4.18Å; V3-F42 HydrophobicContact CG2-CE1 3.43Å; V3-F42 VanDerWaalsContact CG2-CE1 3.43Å; V3-F42 HydrophobicContact CG2-CZ 4.08Å
4V91.2Very high86.8Confident65 Ų6574.2 Ų74.239%0.39437%0.373SS..EExtended strand (participates in β ladder)trans-99.9125.6175.2-176.80000107.8I13 K19 I20V4-I13 HydrophobicContact CG1-CB 4.29Å; V4-I13 VanDerWaalsContact CG1-O 3.25Å; V4-I13 WeakPolarHBondContact CG1-O 3.25Å; V4-K19 WeakPolarHBondContact CA-O 3.21Å; V4-I20 HydrophobicContact CG2-CG1 4.39Å
5T92.2Very high86.6Confident23 Ų2370.7 Ų70.714%0.14136%0.364CS..EExtended strand (participates in β ladder)trans-118.5155.8172.958.20000109V3 S18 K19 V46V3-T5 HydrophobicContact CG1-CG2 4.23Å; T5-S18 CarbonylContact O-C 3.48Å; T5-S18 VanDerWaalsContact O-CA 3.23Å; T5-S18 WeakPolarHBondContact O-CA 3.2Å; T5-K19 PolarHBondContact N-O 3.35Å; T5-K19 PolarHBondContact O-N 2.72Å; T5-K19 PolarHBondContact OG1-O 2.83Å; T5-V46 HydrophobicContact CG2-CG1 3.97Å; T5-V46 HydrophobicContact CG2-CG2 3.98Å
6G90.7Very high86.7Confident4 Ų474.9 Ų74.94%0.04139%0.394CS..  trans83.191179.600000111.3S18 Y51G6-S18 VanDerWaalsContact O-CA 3.25Å; G6-S18 WeakPolarHBondContact O-CA 3.36Å; G6-S18 WeakPolarHBondContact O-CB 3.39Å; G6-S18 PolarHBondContact O-OG 3.39Å; G6-Y51 WeakPolarHBondContact CA-O 3.12Å
7V86.2Confident86.8Confident41 Ų4177.2 Ų77.225%0.24840%0.397CS..  trans-105.6129.9176.5-174.20000107.7G11 I13 L79V7-G11 VanDerWaalsContact CG1-C 3.48Å; V7-I13 HydrophobicContact CG1-CG2 4.16Å; V7-I13 HydrophobicContact CG2-CG2 3.98Å; V7-L79 HydrophobicContact CG1-CB 4.03Å; V7-L79 HydrophobicContact CG1-CD2 4.3Å
8S83.3Confident87.1Confident18 Ų1874.4 Ų74.413%0.12639%0.385CS..  trans-68.2162.917648.60000111.3N10 G11 Q12S8-N10 PolarHBondContact O-N 2.68Å; S8-N10 VanDerWaalsContact O-N 3.1Å; S8-N10 PolarHBondContact OG-OD1 2.77Å; S8-G11 WeakPolarHBondContact O-CA 3.37Å; S8-G11 PolarHBondContact O-N 3.07Å; S8-Q12 PolarHBondContact N-O 3.2Å; S8-Q12 WeakPolarHBondContact OG-CB 3.48Å; S8-Q12 PolarHBondContact OG-N 2.8Å; S8-Q12 PolarHBondContact OG-O 2.85Å
9E83.7Confident87.4Confident188 Ų18876.7 Ų76.788%0.87939%0.392SS*.THydrogen-bonded Turntrans-57-29.9-178.2-64.1177.2178.700113.7G11E9-G11 PolarHBondContact O-N 3.31Å
10N84.2Confident87.6Confident86 Ų8677 Ų7746%0.4639%0.394SS..THydrogen-bonded Turntrans-79.52.8175.270.2-1.4000113.7S8 Q12 Q78S8-N10 PolarHBondContact O-N 2.68Å; S8-N10 VanDerWaalsContact O-N 3.1Å; S8-N10 PolarHBondContact OG-OD1 2.77Å; N10-Q12 PolarHBondContact ND2-OE1 2.93Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.07Å; N10-Q12 WeakPolarHBondContact OD1-CG 3.31Å; N10-Q12 PolarHBondContact OD1-N 3.02Å; N10-Q78 PolarHBondContact O-NE2 3.45Å
11G83.7Confident87.8Confident10 Ų1073.6 Ų73.610%0.10338%0.376CS..  trans82.34.4-179.900000115.4V7 S8 E9 I13 Q78 L79V7-G11 VanDerWaalsContact CG1-C 3.48Å; S8-G11 WeakPolarHBondContact O-CA 3.37Å; S8-G11 PolarHBondContact O-N 3.07Å; E9-G11 PolarHBondContact O-N 3.31Å; G11-I13 PolarHBondContact O-N 2.04Å; G11-Q78 CarbonylContact O-C 3.53Å; G11-Q78 VanDerWaalsContact O-CA 3.31Å; G11-Q78 WeakPolarHBondContact O-CA 3.47Å; G11-L79 PolarHBondContact O-N 3.41Å
12Q86Confident88.2Confident89 Ų8971.8 Ų71.842%0.41637%0.368SS..BIsolated β-bridgetrans-70.9131.1177.8-70.5-178.9-45.100111.3S8 N10S8-Q12 PolarHBondContact N-O 3.2Å; S8-Q12 WeakPolarHBondContact OG-CB 3.48Å; S8-Q12 PolarHBondContact OG-N 2.8Å; S8-Q12 PolarHBondContact OG-O 2.85Å; N10-Q12 PolarHBondContact ND2-OE1 2.93Å; N10-Q12 WeakPolarHBondContact OD1-CB 3.07Å; N10-Q12 WeakPolarHBondContact OD1-CG 3.31Å; N10-Q12 PolarHBondContact OD1-N 3.02Å
13I85.7Confident88.3Confident34 Ų3464.9 Ų64.917%0.17435%0.345CS..SBendtrans-97.46.5-179.568.8175.7000113V4 V7 G11 S18 I74 V77V4-I13 HydrophobicContact CG1-CB 4.29Å; V4-I13 VanDerWaalsContact CG1-O 3.25Å; V4-I13 WeakPolarHBondContact CG1-O 3.25Å; V7-I13 HydrophobicContact CG1-CG2 4.16Å; V7-I13 HydrophobicContact CG2-CG2 3.98Å; G11-I13 PolarHBondContact O-N 2.04Å; I13-S18 WeakPolarHBondContact O-CB 3.13Å; I13-S18 PolarHBondContact O-OG 2.89Å; I13-I74 HydrophobicContact CD1-CG2 4.23Å; I13-V77 HydrophobicContact CD1-CG1 4.06Å; I13-V77 HydrophobicContact CG1-CB 4.4Å; I13-V77 HydrophobicContact CG1-CG1 3.46Å; I13-V77 VanDerWaalsContact CG1-CG1 3.46Å; I13-V77 PolarHBondContact N-O 3.4Å
14N87.3Confident88.3Confident110 Ų11066.1 Ų66.159%0.58836%0.359SS*.SBendtrans-125.727.5179.265.9-24.2000111.5V77N14-V77 HydrophobicContact CB-CG1 4.18Å
15G83.7Confident88Confident22 Ų2265.4 Ų65.423%0.22736%0.36CS..SBendtrans-83.8177.6-179.700000112.6Y17 S18G15-Y17 PolarHBondContact O-N 2.85Å; G15-Y17 VanDerWaalsContact O-N 3.11Å; G15-S18 PolarHBondContact N-OG 2.7Å; G15-S18 VanDerWaalsContact N-OG 3.14Å; G15-S18 WeakPolarHBondContact O-CB 3.28Å; G15-S18 PolarHBondContact O-N 3.01Å; G15-S18 PolarHBondContact O-OG 3.35Å
16T87.9Confident87.7Confident138 Ų13867.5 Ų67.585%0.84738%0.379SS*.THydrogen-bonded Turntrans-55.7-29178.9-48.60000113.5
17Y88.8Confident87.2Confident113 Ų11368.9 Ų68.944%0.44338%0.384SS..THydrogen-bonded Turntrans-89.4-7-178.8-48.9-65.6000113.6G15 Y51G15-Y17 PolarHBondContact O-N 2.85Å; G15-Y17 VanDerWaalsContact O-N 3.11Å; Y17-Y51 AromaticContact CD1-CD2 3.63Å; Y17-Y51 HydrophobicContact CD1-CD2 3.63Å; Y17-Y51 AromaticContact CD1-CE2 3.32Å; Y17-Y51 HydrophobicContact CD1-CE2 3.32Å; Y17-Y51 HydrophobicContact CD1-CG 4.48Å; Y17-Y51 AromaticContact CD1-CZ 3.97Å; Y17-Y51 HydrophobicContact CD2-CD1 4.05Å; Y17-Y51 HydrophobicContact CD2-CD2 4.06Å; Y17-Y51 AromaticContact CD2-CE1 3.73Å; Y17-Y51 HydrophobicContact CD2-CE1 3.73Å; Y17-Y51 AromaticContact CD2-CE2 3.73Å; Y17-Y51 HydrophobicContact CD2-CE2 3.73Å; Y17-Y51 HydrophobicContact CD2-CG 4.21Å; Y17-Y51 AromaticContact CD2-CZ 3.55Å; Y17-Y51 HydrophobicContact CE1-CD2 4.28Å; Y17-Y51 AromaticContact CE1-CE2 3.5Å; Y17-Y51 HydrophobicContact CE1-CE2 3.5Å; Y17-Y51 VanDerWaalsContact CE1-CE2 3.5Å; Y17-Y51 AromaticContact CE1-CZ 3.9Å; Y17-Y51 AromaticContact CE2-CE1 3.92Å; Y17-Y51 HydrophobicContact CE2-CE1 3.92Å; Y17-Y51 AromaticContact CE2-CE2 3.89Å; Y17-Y51 HydrophobicContact CE2-CE2 3.89Å; Y17-Y51 AromaticContact CE2-CZ 3.46Å; Y17-Y51 VanDerWaalsContact CE2-CZ 3.46Å; Y17-Y51 WeakPolarHBondContact CE2-OH 3.06Å; Y17-Y51 HydrophobicContact CG-CD1 4.22Å; Y17-Y51 AromaticContact CG-CD2 3.49Å; Y17-Y51 HydrophobicContact CG-CD2 3.49Å; Y17-Y51 VanDerWaalsContact CG-CD2 3.49Å; Y17-Y51 HydrophobicContact CG-CE1 4.19Å; Y17-Y51 AromaticContact CG-CE2 3.43Å; Y17-Y51 HydrophobicContact CG-CE2 3.43Å; Y17-Y51 VanDerWaalsContact CG-CE2 3.43Å; Y17-Y51 AromaticContact CG-CG 3.9Å; Y17-Y51 HydrophobicContact CG-CG 3.9Å; Y17-Y51 AromaticContact CG-CZ 3.8Å; Y17-Y51 AromaticContact CZ-CE2 3.77Å; Y17-Y51 AromaticContact CZ-CZ 3.63Å
18S91.1Very high86.8Confident27 Ų2772.8 Ų72.819%0.18940%0.4CS..  trans-78.5124.2-176.5-560000111T5 G6 I13 G15T5-S18 CarbonylContact O-C 3.48Å; T5-S18 VanDerWaalsContact O-CA 3.23Å; T5-S18 WeakPolarHBondContact O-CA 3.2Å; G6-S18 VanDerWaalsContact O-CA 3.25Å; G6-S18 WeakPolarHBondContact O-CA 3.36Å; G6-S18 WeakPolarHBondContact O-CB 3.39Å; G6-S18 PolarHBondContact O-OG 3.39Å; I13-S18 WeakPolarHBondContact O-CB 3.13Å; I13-S18 PolarHBondContact O-OG 2.89Å; G15-S18 PolarHBondContact N-OG 2.7Å; G15-S18 VanDerWaalsContact N-OG 3.14Å; G15-S18 WeakPolarHBondContact O-CB 3.28Å; G15-S18 PolarHBondContact O-N 3.01Å; G15-S18 PolarHBondContact O-OG 3.35Å
19K92.8Very high86.2Confident119 Ų11972 Ų7252%0.51740%0.395SS..EExtended strand (participates in β ladder)trans-114.7143.6175.4-68.1-169.7178.2-171.10110.7V4 T5V4-K19 WeakPolarHBondContact CA-O 3.21Å; T5-K19 PolarHBondContact N-O 3.35Å; T5-K19 PolarHBondContact O-N 2.72Å; T5-K19 PolarHBondContact OG1-O 2.83Å
20I91.5Very high85.3Confident82 Ų8268 Ų6842%0.42139%0.385SS..EExtended strand (participates in β ladder)trans-108119.7177.9-57.4-177.7000108.7R2 V3 V4R2-I20 HydrophobicContact CB-CG2 4.15Å; R2-I20 HydrophobicContact CG-CG2 4.39Å; V3-I20 WeakPolarHBondContact O-CA 3.19Å; V4-I20 HydrophobicContact CG2-CG1 4.39Å
21S92.4Very high84.2Confident5 Ų566.6 Ų66.64%0.03538%0.379CS..EExtended strand (participates in β ladder)trans-109.1156.6168.6-61.30000110.4V3 P44V3-S21 PolarHBondContact N-O 3.23Å; V3-S21 PolarHBondContact O-N 3.01Å; S21-P44 PolarHBondContact OG-O 2.88Å; S21-P44 VanDerWaalsContact OG-O 3.04Å
22M92.2Very high82.7Confident123 Ų12372.9 Ų72.961%0.60641%0.411SS*.EExtended strand (participates in β ladder)trans-98.3144.4171.6-63.7-170.1-70.400109.9A24 F42 I43M22-A24 PolarHBondContact O-N 3.35Å; M22-F42 CarbonylContact O-C 3.59Å; M22-F42 VanDerWaalsContact O-CA 3.32Å; M22-F42 WeakPolarHBondContact O-CA 3.38Å; M22-I43 PolarHBondContact N-O 2.9Å; M22-I43 PolarHBondContact O-N 2.86Å
23V90.2Very high81.2Confident34 Ų3475.5 Ų75.521%0.20642%0.422CS..EExtended strand (participates in β ladder)trans-71.3115.3167.2177.30000108.3M1 V3 A25 V40 F41 F42M1-V23 HydrophobicContact CB-CB 4.25Å; M1-V23 HydrophobicContact CB-CG2 3.85Å; M1-V23 HydrophobicContact CE-CG2 3.69Å; M1-V23 HydrophobicContact CG-CG2 4.29Å; M1-V23 PolarHBondContact O-N 3.23Å; V3-V23 HydrophobicContact CG2-CG2 4.03Å; V23-A25 WeakPolarHBondContact CG1-O 3.32Å; V23-V40 HydrophobicContact CG1-CB 4.07Å; V23-V40 HydrophobicContact CG1-CG1 4.04Å; V23-V40 HydrophobicContact CG2-CB 4.31Å; V23-V40 HydrophobicContact CG2-CG1 4.46Å; V23-F41 CarbonylContact C-O 3.52Å; V23-F41 WeakPolarHBondContact CA-O 3.26Å; V23-F42 HydrophobicContact CG2-CD1 4.28Å; V23-F42 HydrophobicContact CG2-CE1 4.07Å
24A89Confident79.8Confident57 Ų5777.5 Ų77.547%0.47144%0.44SS..EExtended strand (participates in β ladder)trans-85.8-41.9178.900000112.1M22 F41 I43M22-A24 PolarHBondContact O-N 3.35Å; A24-F41 PolarHBondContact N-O 2.88Å; A24-I43 HydrophobicContact CB-CB 4.08Å; A24-I43 HydrophobicContact CB-CD1 3.31Å; A24-I43 HydrophobicContact CB-CG1 3.47Å; A24-I43 VanDerWaalsContact CB-CG1 3.47Å
25A86.3Confident78.6Confident50 Ų5073.9 Ų73.941%0.41342%0.42SS..EExtended strand (participates in β ladder)trans-145.8157.3176.600000109.7V23 V40 F41V23-A25 WeakPolarHBondContact CG1-O 3.32Å; A25-V40 WeakPolarHBondContact O-CA 3.38Å; A25-F41 HydrophobicContact CB-CB 4.39Å; A25-F41 HydrophobicContact CB-CD2 4.06Å; A25-F41 PolarHBondContact O-N 3.09Å
26A84.8Confident78.2Confident67 Ų6777 Ų7755%0.55443%0.432SS*.EExtended strand (participates in β ladder)trans-130.1136.3170.800000108.7F39 V40A26-F39 CarbonylContact C-O 3.41Å; A26-F39 VanDerWaalsContact CA-O 3.27Å; A26-F39 WeakPolarHBondContact CA-O 3.17Å; A26-V40 HydrophobicContact CB-CG1 4.12Å
27F81.4Confident77.9Confident33 Ų3370.8 Ų70.815%0.14539%0.394CS..EExtended strand (participates in β ladder)trans-113.1131175.7179.2-100.1000109.2A38 F39 F41 I155 E158 V159F27-A38 CarbonylContact O-C 3.52Å; F27-A38 WeakPolarHBondContact O-CA 3.28Å; F27-F39 HydrophobicContact CB-CB 4.35Å; F27-F39 HydrophobicContact CD1-CD2 4.19Å; F27-F39 PolarHBondContact N-O 3.04Å; F27-F39 PolarHBondContact O-N 3.02Å; F27-F41 HydrophobicContact CB-CE2 4.02Å; F27-I155 HydrophobicContact CD1-CB 4.48Å; F27-I155 HydrophobicContact CD1-CG2 4.23Å; F27-I155 HydrophobicContact CE1-CB 3.93Å; F27-I155 HydrophobicContact CE1-CG2 3.51Å; F27-E158 HydrophobicContact CE1-CG 4.45Å; F27-E158 HydrophobicContact CE2-CG 4Å; F27-E158 WeakPolarHBondContact CE2-OE1 3.37Å; F27-E158 WeakPolarHBondContact CE2-OE2 3.2Å; F27-E158 HydrophobicContact CZ-CB 4.49Å; F27-E158 HydrophobicContact CZ-CG 3.94Å; F27-E158 WeakPolarHBondContact CZ-OE1 3.48Å; F27-E158 WeakPolarHBondContact CZ-OE2 3.35Å; F27-V159 HydrophobicContact CD1-CG2 3.87Å; F27-V159 HydrophobicContact CE1-CG2 4.34Å; F27-V159 HydrophobicContact CG-CG2 4.41Å
28Q77.8Confident77.6Confident123 Ų12367.7 Ų67.758%0.57539%0.391SS*.  trans-117.5129.8177.3-72.6178.2-25.500107.8A38Q28-A38 HydrophobicContact CG-CB 3.95Å
29P70.5Confident77.3Confident3 Ų368.3 Ų68.32%0.01939%0.391CS..  trans-53.7138.8176.3-2028.4000110.4T31 V37 F39 K151 I155P29-T31 PolarHBondContact O-N 3.3Å; P29-V37 WeakPolarHBondContact CD-O 3.38Å; P29-F39 HydrophobicContact CG-CE2 4.15Å; P29-K151 HydrophobicContact CG-CD 4.26Å; P29-I155 HydrophobicContact CB-CG2 3.82Å; P29-I155 HydrophobicContact CG-CG2 3.66Å
30P63.2Low77Confident104 Ų10465.1 Ų65.168%0.67538%0.381SS*.  trans-78.969.7175.731.8-34.2000109.4
31T62.2Low76.9Confident55 Ų5565.7 Ų65.734%0.33738%0.381SS..  trans-108.3133.8170.462.80000110.9P29 H33 D35 K151P29-T31 PolarHBondContact O-N 3.3Å; T31-H33 PolarHBondContact O-N 3.02Å; T31-H33 VanDerWaalsContact O-N 3.1Å; T31-D35 PolarHBondContact N-OD2 2.81Å; T31-D35 VanDerWaalsContact O-OD2 3.05Å; T31-D35 VanDerWaalsContact OG1-CG 3.24Å; T31-D35 PolarHBondContact OG1-OD1 3.11Å; T31-D35 PolarHBondContact OG1-OD2 2.93Å; T31-K151 PolarHBondContact OG1-NZ 3.11Å
32N52.9Low76.7Confident143 Ų14368.2 Ų68.277%0.76539%0.391SS*.SBendtrans-62.9117.2175.9-78.1-32.1000108.4
33H53.1Low76.6Confident143 Ų14367.4 Ų67.466%0.66239%0.388SS*.SBendtrans95.6110.5169.7-43.5-59.6000116.3T31T31-H33 PolarHBondContact O-N 3.02Å; T31-H33 VanDerWaalsContact O-N 3.1Å
34S57.5Low76.6Confident77 Ų7769.9 Ų69.954%0.53841%0.405SS..  trans43.975.4167.358.60000115.3D36 N97S34-D36 PolarHBondContact O-N 3.11Å; S34-D36 VanDerWaalsContact O-N 3.16Å; S34-N97 PolarHBondContact O-ND2 2.84Å
35D61.8Low76.6Confident34 Ų3475.3 Ų75.318%0.18242%0.42CS..  trans-74.5103172.4-87-56000111.4T31 V37 K151T31-D35 PolarHBondContact N-OD2 2.81Å; T31-D35 VanDerWaalsContact O-OD2 3.05Å; T31-D35 VanDerWaalsContact OG1-CG 3.24Å; T31-D35 PolarHBondContact OG1-OD1 3.11Å; T31-D35 PolarHBondContact OG1-OD2 2.93Å; D35-V37 PolarHBondContact O-N 2.8Å; D35-K151 IonicContact OD1-NZ 3.97Å; D35-K151 PolarHBondContact OD1-NZ 2.68Å
36D75Confident76.9Confident88 Ų8874.6 Ų74.647%0.47141%0.411SS..  trans-83.84.2178.9-67.7-34.4000112.9S34 I146S34-D36 PolarHBondContact O-N 3.11Å; S34-D36 VanDerWaalsContact O-N 3.16Å; D36-I146 HydrophobicContact CB-CD1 3.37Å
37V81.1Confident77.2Confident7 Ų775.8 Ų75.84%0.04241%0.411CS..  trans-128.9131.2-177.4-175.80000109.8P29 D35 F39 I132 I146 L148 K151P29-V37 WeakPolarHBondContact CD-O 3.38Å; D35-V37 PolarHBondContact O-N 2.8Å; V37-F39 HydrophobicContact CG1-CE2 4.38Å; V37-F39 HydrophobicContact CG1-CZ 4.4Å; V37-I132 HydrophobicContact CG1-CD1 4.3Å; V37-I132 HydrophobicContact CG2-CD1 4.28Å; V37-I146 HydrophobicContact CG2-CG2 3.85Å; V37-L148 HydrophobicContact CG1-CD2 3.93Å; V37-L148 HydrophobicContact CG2-CD2 3.96Å; V37-K151 HydrophobicContact CG2-CG 4.4Å
38A83.2Confident77.7Confident47 Ų4780.8 Ų80.839%0.38843%0.433SS..  trans-131.7147.6174.600000110.3F27 Q28F27-A38 CarbonylContact O-C 3.52Å; F27-A38 WeakPolarHBondContact O-CA 3.28Å; Q28-A38 HydrophobicContact CG-CB 3.95Å
39F84Confident78.4Confident41 Ų4177.8 Ų77.818%0.1842%0.421CS..EExtended strand (participates in β ladder)trans-101.2131.6173.3-61.6-87.1000108.3A26 F27 P29 V37 L152 I155A26-F39 CarbonylContact C-O 3.41Å; A26-F39 VanDerWaalsContact CA-O 3.27Å; A26-F39 WeakPolarHBondContact CA-O 3.17Å; F27-F39 HydrophobicContact CB-CB 4.35Å; F27-F39 HydrophobicContact CD1-CD2 4.19Å; F27-F39 PolarHBondContact N-O 3.04Å; F27-F39 PolarHBondContact O-N 3.02Å; P29-F39 HydrophobicContact CG-CE2 4.15Å; V37-F39 HydrophobicContact CG1-CE2 4.38Å; V37-F39 HydrophobicContact CG1-CZ 4.4Å; F39-L152 HydrophobicContact CE1-CD2 3.5Å; F39-L152 VanDerWaalsContact CE1-CD2 3.5Å; F39-L152 HydrophobicContact CZ-CD2 3.69Å; F39-L152 HydrophobicContact CZ-CG 4.36Å; F39-I155 HydrophobicContact CD1-CD1 3.62Å; F39-I155 HydrophobicContact CD2-CD1 3.53Å; F39-I155 HydrophobicContact CD2-CG1 4.24Å; F39-I155 HydrophobicContact CD2-CG2 4.32Å; F39-I155 HydrophobicContact CE1-CD1 3.45Å; F39-I155 VanDerWaalsContact CE1-CD1 3.45Å; F39-I155 HydrophobicContact CE1-CG1 4.32Å; F39-I155 HydrophobicContact CE2-CB 4.3Å; F39-I155 HydrophobicContact CE2-CD1 3.34Å; F39-I155 HydrophobicContact CE2-CG1 3.67Å; F39-I155 HydrophobicContact CE2-CG2 3.86Å; F39-I155 HydrophobicContact CG-CD1 3.66Å; F39-I155 HydrophobicContact CZ-CD1 3.3Å; F39-I155 HydrophobicContact CZ-CG1 3.72Å
40V87Confident79.3Confident51 Ų5183.6 Ų83.631%0.30945%0.452SS..EExtended strand (participates in β ladder)trans-120.8138.9-173.4-68.70000110.5M1 V23 A25 A26 F42M1-V40 HydrophobicContact CE-CG1 4.41Å; V23-V40 HydrophobicContact CG1-CB 4.07Å; V23-V40 HydrophobicContact CG1-CG1 4.04Å; V23-V40 HydrophobicContact CG2-CB 4.31Å; V23-V40 HydrophobicContact CG2-CG1 4.46Å; A25-V40 WeakPolarHBondContact O-CA 3.38Å; A26-V40 HydrophobicContact CB-CG1 4.12Å; V40-F42 HydrophobicContact CB-CE1 4.17Å; V40-F42 HydrophobicContact CB-CZ 4.5Å; V40-F42 HydrophobicContact CG2-CE1 3.52Å; V40-F42 HydrophobicContact CG2-CE2 4.46Å; V40-F42 HydrophobicContact CG2-CZ 3.47Å; V40-F42 VanDerWaalsContact CG2-CZ 3.47Å
41F88.3Confident80.7Confident95 Ų9582.1 Ų82.142%0.41743%0.434SS..EExtended strand (participates in β ladder)trans-105.7138.5176.9-59-90.3000109.2V23 A24 A25 F27 V159V23-F41 CarbonylContact C-O 3.52Å; V23-F41 WeakPolarHBondContact CA-O 3.26Å; A24-F41 PolarHBondContact N-O 2.88Å; A25-F41 HydrophobicContact CB-CB 4.39Å; A25-F41 HydrophobicContact CB-CD2 4.06Å; A25-F41 PolarHBondContact O-N 3.09Å; F27-F41 HydrophobicContact CB-CE2 4.02Å; F41-V159 HydrophobicContact CE1-CG1 4.33Å; F41-V159 HydrophobicContact CZ-CG1 4.02Å
42F89.2Confident82.2Confident58 Ų5880.3 Ų80.325%0.25442%0.423SS..EExtended strand (participates in β ladder)trans-109.3140.5-171.3-57.9-51.7000112.5V3 M22 V23 V40 P44 V46V3-F42 HydrophobicContact CB-CD1 4.3Å; V3-F42 HydrophobicContact CB-CE1 3.84Å; V3-F42 HydrophobicContact CB-CZ 4.32Å; V3-F42 HydrophobicContact CG1-CE1 4.06Å; V3-F42 HydrophobicContact CG1-CZ 4.02Å; V3-F42 HydrophobicContact CG2-CD1 4.18Å; V3-F42 HydrophobicContact CG2-CE1 3.43Å; V3-F42 VanDerWaalsContact CG2-CE1 3.43Å; V3-F42 HydrophobicContact CG2-CZ 4.08Å; M22-F42 CarbonylContact O-C 3.59Å; M22-F42 VanDerWaalsContact O-CA 3.32Å; M22-F42 WeakPolarHBondContact O-CA 3.38Å; V23-F42 HydrophobicContact CG2-CD1 4.28Å; V23-F42 HydrophobicContact CG2-CE1 4.07Å; V40-F42 HydrophobicContact CB-CE1 4.17Å; V40-F42 HydrophobicContact CB-CZ 4.5Å; V40-F42 HydrophobicContact CG2-CE1 3.52Å; V40-F42 HydrophobicContact CG2-CE2 4.46Å; V40-F42 HydrophobicContact CG2-CZ 3.47Å; V40-F42 VanDerWaalsContact CG2-CZ 3.47Å; F42-P44 CarbonylContact C-O 3.58Å; F42-P44 CarbonylContact O-C 3.56Å; F42-V46 HydrophobicContact CB-CG2 4.15Å; F42-V46 HydrophobicContact CD2-CG2 3.62Å; F42-V46 HydrophobicContact CE2-CG2 4.38Å; F42-V46 HydrophobicContact CG-CG2 4.13Å
43I89.4Confident84.1Confident105 Ų10580.3 Ų80.354%0.53842%0.416SS..EExtended strand (participates in β ladder)trans-125.4126.2166.3-68.1172.9000109.1M22 A24M22-I43 PolarHBondContact N-O 2.9Å; M22-I43 PolarHBondContact O-N 2.86Å; A24-I43 HydrophobicContact CB-CB 4.08Å; A24-I43 HydrophobicContact CB-CD1 3.31Å; A24-I43 HydrophobicContact CB-CG1 3.47Å; A24-I43 VanDerWaalsContact CB-CG1 3.47Å
44P91.6Very high86Confident87 Ų8777.9 Ų77.957%0.56541%0.413SS*.SBendcis-64.1161.4-10.431.5-36.1000111.2S21 F42S21-P44 PolarHBondContact OG-O 2.88Å; S21-P44 VanDerWaalsContact OG-O 3.04Å; F42-P44 CarbonylContact C-O 3.58Å; F42-P44 CarbonylContact O-C 3.56Å
45E88.9Confident87.8Confident170 Ų17077.4 Ų77.479%0.79441%0.406SS*.  trans-55.6144.6171.6-68.2-175.2-179.800110.8T47E45-T47 PolarHBondContact O-N 3.28Å
46V91.1Very high89.4Confident36 Ų3678 Ų7822%0.21841%0.412CS..  trans-82.4114.7-177.31740000109.3T5 F42 V52T5-V46 HydrophobicContact CG2-CG1 3.97Å; T5-V46 HydrophobicContact CG2-CG2 3.98Å; F42-V46 HydrophobicContact CB-CG2 4.15Å; F42-V46 HydrophobicContact CD2-CG2 3.62Å; F42-V46 HydrophobicContact CE2-CG2 4.38Å; F42-V46 HydrophobicContact CG-CG2 4.13Å; V46-V52 HydrophobicContact CG1-CG1 3.45Å; V46-V52 VanDerWaalsContact CG1-CG1 3.45Å
47T90.9Very high90.3Very high92 Ų9277.3 Ų77.356%0.56441%0.408SS*.  trans-79.9126.8175.6-41.20000111.4E45 N49E45-T47 PolarHBondContact O-N 3.28Å; T47-N49 PolarHBondContact O-ND2 3.47Å
48F93.2Very high90.9Very high137 Ų13777.4 Ų77.460%0.60141%0.409SS*.  trans-70.4143175.2-55.8-33.4000112.3V52 P54F48-V52 WeakPolarHBondContact CA-O 3.38Å; F48-V52 HydrophobicContact CD1-CG1 4.38Å; F48-P54 HydrophobicContact CE1-CG 4.45Å; F48-P54 HydrophobicContact CE2-CG 4.39Å; F48-P54 HydrophobicContact CZ-CB 4.44Å; F48-P54 HydrophobicContact CZ-CG 4.21Å
49N91.2Very high91.3Very high60 Ų6083.3 Ų83.332%0.32142%0.421SS..BIsolated β-bridgetrans-161.9-169.7177.659.765.2000109.4T47 Y51 V52 K53T47-N49 PolarHBondContact O-ND2 3.47Å; N49-Y51 PolarHBondContact O-N 3.03Å; N49-Y51 WeakPolarHBondContact OD1-CA 3.49Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.2Å; N49-Y51 PolarHBondContact OD1-N 2.9Å; N49-V52 PolarHBondContact N-O 2.83Å; N49-V52 CarbonylContact O-C 3.54Å; N49-V52 PolarHBondContact O-N 2.99Å; N49-V52 PolarHBondContact OD1-N 3.09Å; N49-V52 VanDerWaalsContact OD1-N 3.16Å; N49-K53 WeakPolarHBondContact O-CE 3.49Å; N49-K53 WeakPolarHBondContact O-CG 3.38Å
50D91.3Very high91.7Very high126 Ų12685 Ų8567%0.67443%0.43SS*.THydrogen-bonded Turntrans-62.9-25.7-178.5-74.7-41.6000115.3K53D50-K53 IonicContact OD1-NZ 3.11Å; D50-K53 PolarHBondContact OD1-NZ 3.49Å; D50-K53 VanDerWaalsContact OD1-NZ 3.11Å
51Y91.6Very high91.9Very high73 Ų7386.6 Ų86.629%0.28643%0.434SS..THydrogen-bonded Turntrans-99.6-7.3179.6-52.4-80.2000113.2G6 Y17 N49G6-Y51 WeakPolarHBondContact CA-O 3.12Å; Y17-Y51 AromaticContact CD1-CD2 3.63Å; Y17-Y51 HydrophobicContact CD1-CD2 3.63Å; Y17-Y51 AromaticContact CD1-CE2 3.32Å; Y17-Y51 HydrophobicContact CD1-CE2 3.32Å; Y17-Y51 HydrophobicContact CD1-CG 4.48Å; Y17-Y51 AromaticContact CD1-CZ 3.97Å; Y17-Y51 HydrophobicContact CD2-CD1 4.05Å; Y17-Y51 HydrophobicContact CD2-CD2 4.06Å; Y17-Y51 AromaticContact CD2-CE1 3.73Å; Y17-Y51 HydrophobicContact CD2-CE1 3.73Å; Y17-Y51 AromaticContact CD2-CE2 3.73Å; Y17-Y51 HydrophobicContact CD2-CE2 3.73Å; Y17-Y51 HydrophobicContact CD2-CG 4.21Å; Y17-Y51 AromaticContact CD2-CZ 3.55Å; Y17-Y51 HydrophobicContact CE1-CD2 4.28Å; Y17-Y51 AromaticContact CE1-CE2 3.5Å; Y17-Y51 HydrophobicContact CE1-CE2 3.5Å; Y17-Y51 VanDerWaalsContact CE1-CE2 3.5Å; Y17-Y51 AromaticContact CE1-CZ 3.9Å; Y17-Y51 AromaticContact CE2-CE1 3.92Å; Y17-Y51 HydrophobicContact CE2-CE1 3.92Å; Y17-Y51 AromaticContact CE2-CE2 3.89Å; Y17-Y51 HydrophobicContact CE2-CE2 3.89Å; Y17-Y51 AromaticContact CE2-CZ 3.46Å; Y17-Y51 VanDerWaalsContact CE2-CZ 3.46Å; Y17-Y51 WeakPolarHBondContact CE2-OH 3.06Å; Y17-Y51 HydrophobicContact CG-CD1 4.22Å; Y17-Y51 AromaticContact CG-CD2 3.49Å; Y17-Y51 HydrophobicContact CG-CD2 3.49Å; Y17-Y51 VanDerWaalsContact CG-CD2 3.49Å; Y17-Y51 HydrophobicContact CG-CE1 4.19Å; Y17-Y51 AromaticContact CG-CE2 3.43Å; Y17-Y51 HydrophobicContact CG-CE2 3.43Å; Y17-Y51 VanDerWaalsContact CG-CE2 3.43Å; Y17-Y51 AromaticContact CG-CG 3.9Å; Y17-Y51 HydrophobicContact CG-CG 3.9Å; Y17-Y51 AromaticContact CG-CZ 3.8Å; Y17-Y51 AromaticContact CZ-CE2 3.77Å; Y17-Y51 AromaticContact CZ-CZ 3.63Å; N49-Y51 PolarHBondContact O-N 3.03Å; N49-Y51 WeakPolarHBondContact OD1-CA 3.49Å; N49-Y51 WeakPolarHBondContact OD1-CB 3.2Å; N49-Y51 PolarHBondContact OD1-N 2.9Å
52V92.8Very high92.2Very high17 Ų1785 Ų8510%0.10343%0.428CS..BIsolated β-bridgetrans-134.396.7-177.8-173.40000109.3V46 F48 N49V46-V52 HydrophobicContact CG1-CG1 3.45Å; V46-V52 VanDerWaalsContact CG1-CG1 3.45Å; F48-V52 WeakPolarHBondContact CA-O 3.38Å; F48-V52 HydrophobicContact CD1-CG1 4.38Å; N49-V52 PolarHBondContact N-O 2.83Å; N49-V52 CarbonylContact O-C 3.54Å; N49-V52 PolarHBondContact O-N 2.99Å; N49-V52 PolarHBondContact OD1-N 3.09Å; N49-V52 VanDerWaalsContact OD1-N 3.16Å
53K92.8Very high92.5Very high143 Ų14382.3 Ų82.362%0.62242%0.416SS*.  trans-125.5138.5178.9-63.9-179.5-179.2168.90109.9N49 D50N49-K53 WeakPolarHBondContact O-CE 3.49Å; N49-K53 WeakPolarHBondContact O-CG 3.38Å; D50-K53 IonicContact OD1-NZ 3.11Å; D50-K53 PolarHBondContact OD1-NZ 3.49Å; D50-K53 VanDerWaalsContact OD1-NZ 3.11Å
54P94Very high92.7Very high92 Ų9278.9 Ų78.960%0.59740%0.4SS*.PPolyproline II helixtrans-70156174.830.6-34.7000110.9F48F48-P54 HydrophobicContact CE1-CG 4.45Å; F48-P54 HydrophobicContact CE2-CG 4.39Å; F48-P54 HydrophobicContact CZ-CB 4.44Å; F48-P54 HydrophobicContact CZ-CG 4.21Å
55V94.7Very high92.8Very high67 Ų6779.9 Ų79.941%0.40641%0.407SS..PPolyproline II helixtrans-95.2151.6168.5-66.80000109.3V120 L129V55-V120 HydrophobicContact CB-CG1 4.45Å; V55-V120 HydrophobicContact CG1-CG1 3.92Å; V55-L129 HydrophobicContact CB-CB 4.42Å; V55-L129 HydrophobicContact CG2-CB 3.76Å; V55-L129 HydrophobicContact CG2-CD2 4.34Å
56C95.8Very high93Very high45 Ų4578.5 Ų78.530%0.30440%0.398SS..BIsolated β-bridgetrans-70.9148.9174.3-64.60000110.9W127 T128 L129C56-W127 WeakPolarHBondContact CB-O 3.19Å; C56-W127 PolarHBondContact N-O 3.34Å; C56-T128 HydrophobicContact CB-CG2 4.33Å; C56-T128 CarbonylContact O-C 3.43Å; C56-T128 VanDerWaalsContact O-CA 3.29Å; C56-T128 WeakPolarHBondContact O-CA 3.22Å; C56-L129 PolarHBondContact O-N 3Å
57L93.6Very high93.1Very high75 Ų7577.1 Ų77.139%0.39339%0.39SS..PPolyproline II helixtrans-82.2145.5170.2-61.6-179.2000110.7T128 L152 L161L57-T128 WeakPolarHBondContact O-CG2 3.39Å; L57-L152 HydrophobicContact CB-CD1 4.14Å; L57-L152 HydrophobicContact CD1-CD2 4.1Å; L57-L152 HydrophobicContact CD2-CD1 3.91Å; L57-L152 HydrophobicContact CD2-CD2 4.01Å; L57-L152 HydrophobicContact CG-CD1 4.4Å; L57-L161 HydrophobicContact CD1-CD1 4.21Å; L57-L161 HydrophobicContact CD1-CD2 4.33Å
58P94Very high93.3Very high9 Ų975.7 Ų75.76%0.05838%0.383CS..PPolyproline II helixtrans-68.9148-179.431.1-32.3000110.9T128 L129 Y130 L148 Y149 L152P58-T128 VanDerWaalsContact CA-CG2 3.47Å; P58-T128 HydrophobicContact CB-CG2 4.06Å; P58-L129 WeakPolarHBondContact CD-O 3.38Å; P58-L129 WeakPolarHBondContact CG-O 3.48Å; P58-Y130 HydrophobicContact CB-CD1 3.96Å; P58-Y130 HydrophobicContact CB-CE1 3.91Å; P58-L148 HydrophobicContact CG-CB 4.29Å; P58-Y149 WeakPolarHBondContact O-CD2 3.29Å; P58-L152 HydrophobicContact CG-CD1 3.75Å
59R91.3Very high93.4Very high171 Ų17169.2 Ų69.265%0.64535%0.354SS*.SBendtrans-1127.2174.2-63-175.1176.8-176.6-2.7113.1Y149R59-Y149 WeakPolarHBondContact O-CE2 3.49Å
60Q92.6Very high93.4Very high77 Ų7766.6 Ų66.636%0.3634%0.341SS..SBendtrans-160.5157.9-178.361-176.857.500108.8Q62 Y130Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 WeakPolarHBondContact CG-O 3.24Å; Q60-Q62 PolarHBondContact NE2-O 2.87Å; Q60-Q62 PolarHBondContact O-N 2.85Å; Q60-Y130 HydrophobicContact CG-CE1 4Å; Q60-Y130 WeakPolarHBondContact O-CE1 3.44Å
61H92.4Very high93.4Very high84 Ų8460.7 Ų60.739%0.38931%0.309SS..SBendtrans-63.4-28.1-173.3-58.2-83.3000115.6E147 Y149 D150H61-E147 WeakPolarHBondContact CA-OE1 3.24Å; H61-E147 HydrophobicContact CB-CG 4.11Å; H61-E147 IonicContact CE1-OE2 2.65Å; H61-E147 IonicContact CG-OE2 3.68Å; H61-E147 IonicContact ND1-OE1 3.93Å; H61-E147 IonicContact ND1-OE2 2.88Å; H61-E147 PolarHBondContact ND1-OE2 2.68Å; H61-E147 WeakPolarHBondContact O-CG 3.41Å; H61-Y149 AromaticContact CE1-CD1 3.85Å; H61-Y149 AromaticContact ND1-CD1 3.88Å; H61-D150 VanDerWaalsContact CE1-CG 3.45Å; H61-D150 IonicContact CE1-OD1 3.02Å; H61-D150 PolarHBondContact CE1-OD1 2.84Å; H61-D150 IonicContact CE1-OD2 3.3Å; H61-D150 PolarHBondContact CE1-OD2 2.74Å; H61-D150 VanDerWaalsContact CE1-OD2 3.3Å; H61-D150 IonicContact ND1-OD1 3.59Å; H61-D150 IonicContact ND1-OD2 3.59Å
62Q94.2Very high93.1Very high61 Ų6158.4 Ų58.429%0.28530%0.303SS..SBendtrans-134149.8-173.6-69.1176.419.700111.3Q60 M89 F100 Y130Q60-Q62 VanDerWaalsContact C-N 3.31Å; Q60-Q62 WeakPolarHBondContact CG-O 3.24Å; Q60-Q62 PolarHBondContact NE2-O 2.87Å; Q60-Q62 PolarHBondContact O-N 2.85Å; Q62-M89 HydrophobicContact CB-CE 4.38Å; Q62-M89 HydrophobicContact CB-SD 4.42Å; Q62-F100 HydrophobicContact CG-CB 4.26Å; Q62-F100 HydrophobicContact CG-CG 4.4Å; Q62-Y130 VanDerWaalsContact C-CD1 3.46Å; Q62-Y130 WeakPolarHBondContact O-CE1 3.35Å
63P94.7Very high92.6Very high2 Ų257.7 Ų57.71%0.01330%0.3CS..PPolyproline II helixtrans-53.1153.5172.7-23.529.6000112.5S67 A86 M89 C121 Y130P63-S67 WeakPolarHBondContact CB-OG 3.33Å; P63-A86 HydrophobicContact CB-CB 3.78Å; P63-A86 HydrophobicContact CG-CB 4.39Å; P63-M89 HydrophobicContact CB-SD 4.21Å; P63-M89 HydrophobicContact CG-SD 4.04Å; P63-M89 WeakPolarHBondContact O-CE 3.19Å; P63-C121 HydrophobicContact CB-CB 3.75Å; P63-C121 HydrophobicContact CG-CB 4Å; P63-C121 WeakPolarHBondContact CG-SG 3.29Å; P63-Y130 HydrophobicContact CB-CD1 4.5Å; P63-Y130 HydrophobicContact CB-CD2 4.1Å; P63-Y130 HydrophobicContact CB-CE2 4.2Å; P63-Y130 HydrophobicContact CB-CG 4.23Å; P63-Y130 HydrophobicContact CG-CD1 3.95Å; P63-Y130 HydrophobicContact CG-CD2 3.84Å; P63-Y130 HydrophobicContact CG-CE2 4.41Å; P63-Y130 HydrophobicContact CG-CG 3.56Å; P63-Y130 VanDerWaalsContact N-CD1 3.34Å; P63-Y130 VanDerWaalsContact N-CE1 3.35Å
64P94.5Very high92Very high32 Ų3254.9 Ų54.921%0.20829%0.29CS..PPolyproline II helixtrans-55.9139.8170.2-24.234.6000110.7K66 S67 H123P64-K66 PolarHBondContact O-N 2.97Å; P64-S67 WeakPolarHBondContact O-CB 3.16Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.39Å; P64-H123 HydrophobicContact CG-CB 4.05Å
65P92.7Very high91.1Very high108 Ų10852.7 Ų52.770%0.70128%0.277SS*.THydrogen-bonded Turntrans-54.3134.9178.8-26.934.5000112S67P65-S67 PolarHBondContact O-N 3.47Å
66K92.7Very high90.3Very high142 Ų14259.3 Ų59.362%0.61730%0.3SS*.THydrogen-bonded Turntrans64.510.1-177.5-48.5171.4-178.3171.90114.7P64 A86 R87P64-K66 PolarHBondContact O-N 2.97Å; K66-A86 PolarHBondContact N-O 3.27Å; K66-R87 HydrophobicContact CB-CG 4.49Å; K66-R87 HydrophobicContact CG-CG 4.13Å
67S94.7Very high89.5Confident7 Ų760.6 Ų60.65%0.04931%0.307CS..  trans-58.7137.2171.852.90000111.1P63 P64 P65 A86 R122P63-S67 WeakPolarHBondContact CB-OG 3.33Å; P64-S67 WeakPolarHBondContact O-CB 3.16Å; P64-S67 PolarHBondContact O-N 3.09Å; P64-S67 PolarHBondContact O-OG 3.39Å; P65-S67 PolarHBondContact O-N 3.47Å; S67-A86 PolarHBondContact O-N 2.88Å; S67-A86 WeakPolarHBondContact OG-CB 3.41Å; S67-R122 VanDerWaalsContact CB-O 3.25Å; S67-R122 WeakPolarHBondContact CB-O 3.35Å
68P94.9Very high89Confident62 Ų6260.2 Ų60.240%0.40330%0.303SS..EExtended strand (participates in β ladder)trans-60.2134164.4-21.933.3000110.2C121 R122P68-C121 CarbonylContact O-C 3.58Å; P68-C121 WeakPolarHBondContact O-CA 3.49Å; P68-R122 PolarHBondContact O-N 3.43Å
69C94.4Very high88.4Confident0 Ų061.9 Ų61.90%031%0.311CS..EExtended strand (participates in β ladder)trans-127.5151.8176.1-58.50000110.3L83 L84 L119 V120 C121C69-L83 CarbonylContact O-C 3.52Å; C69-L83 WeakPolarHBondContact O-CA 3.33Å; C69-L84 HydrophobicContact CB-CB 4.26Å; C69-L84 PolarHBondContact N-O 3.24Å; C69-L84 PolarHBondContact O-N 2.84Å; C69-L119 HydrophobicContact CB-CD1 3.96Å; C69-V120 CarbonylContact C-O 3.41Å; C69-V120 WeakPolarHBondContact CA-O 3.47Å; C69-V120 WeakPolarHBondContact CB-O 2.96Å; C69-C121 HydrophobicContact CB-CB 4.05Å; C69-C121 WeakPolarHBondContact CB-SG 3.42Å; C69-C121 WeakPolarHBondContact SG-CB 3.4Å; C69-C121 CovalentContact SG-SG 2.04Å; C69-C121 PolarHBondContact SG-SG 2.97Å
70A92.1Very high88.1Confident6 Ų657.6 Ų57.65%0.0530%0.297CS..EExtended strand (participates in β ladder)trans-121.3128.8168.900000108.6L83 V120 W127A70-L83 HydrophobicContact CB-CD2 4.05Å; A70-V120 HydrophobicContact CB-CG2 3.91Å; A70-V120 PolarHBondContact N-O 3.26Å; A70-V120 WeakPolarHBondContact O-CG2 2.94Å; A70-V120 PolarHBondContact O-N 3.08Å; A70-W127 HydrophobicContact CB-CH2 4.34Å; A70-W127 HydrophobicContact CB-CZ3 4.16Å
71L90.5Very high87.7Confident1 Ų159.9 Ų59.91%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-106.9115.3168.9175.258.1000107.5T82 L84 H113 P118 L119 N133 F145L71-T82 PolarHBondContact N-O 3.33Å; L71-T82 PolarHBondContact O-N 2.92Å; L71-L84 HydrophobicContact CB-CD1 4.07Å; L71-L84 HydrophobicContact CD2-CD1 4.41Å; L71-H113 HydrophobicContact CD2-CB 4.16Å; L71-H113 HydrophobicContact CG-CB 4.41Å; L71-H113 PolarHBondContact O-CE1 2.86Å; L71-P118 WeakPolarHBondContact CD1-O 3.33Å; L71-L119 HydrophobicContact CB-CD1 4.12Å; L71-N133 HydrophobicContact CD1-CB 4.02Å; L71-F145 HydrophobicContact CD1-CE1 3.95Å; L71-F145 HydrophobicContact CD2-CE1 4.23Å; L71-F145 HydrophobicContact CD2-CZ 4.23Å
72T85.8Confident87.3Confident25 Ų2557.1 Ų57.115%0.15330%0.297CS..EExtended strand (participates in β ladder)trans-92.6162-179.473.70000111.4K80 E81 H113 S117 P118T72-K80 CarbonylContact C-O 3.48Å; T72-K80 VanDerWaalsContact CA-O 3.31Å; T72-K80 WeakPolarHBondContact CA-O 3.39Å; T72-E81 HydrophobicContact CG2-CG 4.13Å; T72-H113 PolarHBondContact O-ND1 2.77Å; T72-S117 WeakPolarHBondContact O-CB 3.29Å; T72-S117 PolarHBondContact O-OG 2.83Å; T72-P118 PolarHBondContact N-O 2.61Å; T72-P118 WeakPolarHBondContact OG1-CD 3.34Å; T72-P118 WeakPolarHBondContact OG1-CG 3.38Å
73G83.3Confident87Confident3 Ų359.7 Ų59.73%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-162.4169.5179.500000109.7L79 K80 T112G73-L79 CarbonylContact O-C 3.52Å; G73-L79 WeakPolarHBondContact O-CA 3.46Å; G73-K80 PolarHBondContact N-O 3Å; G73-K80 PolarHBondContact O-N 3Å; G73-T112 CarbonylContact C-O 3.49Å; G73-T112 WeakPolarHBondContact CA-O 3.44Å
74I78.7Confident86.7Confident84 Ų8460 Ų6043%0.43131%0.314SS..EExtended strand (participates in β ladder)trans-121.3130.9-178.9-59175000108.9I13 L79 T112I13-I74 HydrophobicContact CD1-CG2 4.23Å; I74-L79 HydrophobicContact CG1-CD1 4.36Å; I74-T112 PolarHBondContact N-O 2.77Å
75S76.2Confident86.5Confident46 Ų4662.3 Ų62.332%0.32232%0.324SS..EExtended strand (participates in β ladder)trans-136.6123.6173.1-178.60000109.9V77 Q78S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.28Å; S75-Q78 PolarHBondContact N-O 3.1Å; S75-Q78 WeakPolarHBondContact O-CA 3.38Å; S75-Q78 WeakPolarHBondContact O-CB 3.5Å; S75-Q78 PolarHBondContact O-N 2.95Å
76K76.7Confident86.5Confident205 Ų20557.2 Ų57.289%0.89129%0.291SS*.THydrogen-bonded Turntrans46.545.4176.4-57.8-176.7-179.6-178.70114.5Q78K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.89Å
77V79.5Confident86.3Confident72 Ų7256.9 Ų56.944%0.43629%0.285SS..THydrogen-bonded Turntrans71.518.4-178.8-156.20000114I13 N14 S75I13-V77 HydrophobicContact CD1-CG1 4.06Å; I13-V77 HydrophobicContact CG1-CB 4.4Å; I13-V77 HydrophobicContact CG1-CG1 3.46Å; I13-V77 VanDerWaalsContact CG1-CG1 3.46Å; I13-V77 PolarHBondContact N-O 3.4Å; N14-V77 HydrophobicContact CB-CG1 4.18Å; S75-V77 VanDerWaalsContact C-N 3.31Å; S75-V77 PolarHBondContact O-N 3.28Å
78Q83Confident85.9Confident68 Ų6865.6 Ų65.632%0.31832%0.317SS..EExtended strand (participates in β ladder)trans-122.8131.5174.1-158.3176.625.600110.6N10 G11 S75 K76N10-Q78 PolarHBondContact O-NE2 3.45Å; G11-Q78 CarbonylContact O-C 3.53Å; G11-Q78 VanDerWaalsContact O-CA 3.31Å; G11-Q78 WeakPolarHBondContact O-CA 3.47Å; S75-Q78 PolarHBondContact N-O 3.1Å; S75-Q78 WeakPolarHBondContact O-CA 3.38Å; S75-Q78 WeakPolarHBondContact O-CB 3.5Å; S75-Q78 PolarHBondContact O-N 2.95Å; K76-Q78 VanDerWaalsContact C-N 3.28Å; K76-Q78 PolarHBondContact O-N 2.89Å
79L82.6Confident85.7Confident43 Ų4364.4 Ų64.423%0.22531%0.307CS..EExtended strand (participates in β ladder)trans-65.8133.8166.5-165.977.5000108.9V7 G11 G73 I74V7-L79 HydrophobicContact CG1-CB 4.03Å; V7-L79 HydrophobicContact CG1-CD2 4.3Å; G11-L79 PolarHBondContact O-N 3.41Å; G73-L79 CarbonylContact O-C 3.52Å; G73-L79 WeakPolarHBondContact O-CA 3.46Å; I74-L79 HydrophobicContact CG1-CD1 4.36Å
80K83.2Confident85.5Confident82 Ų8270.6 Ų70.636%0.35733%0.334SS..EExtended strand (participates in β ladder)trans-123.9135.1174.7-65.8-64.8178-1720108.8T72 G73 T112T72-K80 CarbonylContact C-O 3.48Å; T72-K80 VanDerWaalsContact CA-O 3.31Å; T72-K80 WeakPolarHBondContact CA-O 3.39Å; G73-K80 PolarHBondContact N-O 3Å; G73-K80 PolarHBondContact O-N 3Å; K80-T112 HydrophobicContact CB-CG2 4.46Å
81E84.2Confident85.5Confident125 Ų12572 Ų7258%0.58435%0.348SS*.EExtended strand (participates in β ladder)trans-114.9133.4-179.5-53.1-174154.500109.4T72T72-E81 HydrophobicContact CG2-CG 4.13Å
82T85.1Confident85.6Confident26 Ų2674.2 Ų74.216%0.1636%0.357CS..EExtended strand (participates in β ladder)trans-111.1114.8171.2-62.70000107.7L71 L84 F106 H113L71-T82 PolarHBondContact N-O 3.33Å; L71-T82 PolarHBondContact O-N 2.92Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.23Å; T82-F106 HydrophobicContact CG2-CD2 3.57Å; T82-F106 HydrophobicContact CG2-CE2 3.94Å; T82-F106 HydrophobicContact CG2-CG 4.08Å; T82-H113 WeakPolarHBondContact CB-NE2 3.43Å; T82-H113 PolarHBondContact OG1-CE1 3.06Å; T82-H113 VanDerWaalsContact OG1-CE1 3.28Å; T82-H113 PolarHBondContact OG1-NE2 3.19Å
83L88.3Confident85.9Confident114 Ų11476.7 Ų76.760%0.59738%0.375SS*.EExtended strand (participates in β ladder)trans-81.4125.3177.8-63.1177.4000110.1C69 A70 F106C69-L83 CarbonylContact O-C 3.52Å; C69-L83 WeakPolarHBondContact O-CA 3.33Å; A70-L83 HydrophobicContact CB-CD2 4.05Å; L83-F106 WeakPolarHBondContact O-CE2 3.43Å
84L87.7Confident86Confident10 Ų1082.9 Ų82.95%0.05240%0.402CS..EExtended strand (participates in β ladder)trans-122.6162-179.1-60.4170.9000109.8C69 L71 T82 D104 F106 L119C69-L84 HydrophobicContact CB-CB 4.26Å; C69-L84 PolarHBondContact N-O 3.24Å; C69-L84 PolarHBondContact O-N 2.84Å; L71-L84 HydrophobicContact CB-CD1 4.07Å; L71-L84 HydrophobicContact CD2-CD1 4.41Å; T82-L84 HydrophobicContact CG2-CD2 4.01Å; T82-L84 HydrophobicContact CG2-CG 4.23Å; L84-D104 HydrophobicContact CD2-CB 4.27Å; L84-D104 WeakPolarHBondContact CD2-OD1 3.5Å; L84-F106 HydrophobicContact CD2-CD2 3.8Å; L84-F106 HydrophobicContact CD2-CE2 3.97Å; L84-L119 HydrophobicContact CD1-CD1 4.21Å
85L91.5Very high86.2Confident79 Ų7980.9 Ų80.941%0.41440%0.402SS..EExtended strand (participates in β ladder)trans-112.6131.1166.8-72.2168.7000108.6R87 I102L85-R87 HydrophobicContact CB-CG 4.06Å; L85-R87 PolarHBondContact O-N 2.72Å; L85-I102 WeakPolarHBondContact O-CG2 2.96Å
86A91.7Very high86.4Confident1 Ų182 Ų821%0.00842%0.421CS..  trans-67.267.4175.100000112P63 K66 S67 M89P63-A86 HydrophobicContact CB-CB 3.78Å; P63-A86 HydrophobicContact CG-CB 4.39Å; K66-A86 PolarHBondContact N-O 3.27Å; S67-A86 PolarHBondContact O-N 2.88Å; S67-A86 WeakPolarHBondContact OG-CB 3.41Å; A86-M89 HydrophobicContact CB-CE 4.01Å; A86-M89 HydrophobicContact CB-SD 3.75Å
87R89.2Confident86.9Confident135 Ų13572.4 Ų72.451%0.50938%0.379SS..  trans-115.7141.8-177.4-72.2-177.5175.9-171.90.3109.9K66 L85 M89K66-R87 HydrophobicContact CB-CG 4.49Å; K66-R87 HydrophobicContact CG-CG 4.13Å; L85-R87 HydrophobicContact CB-CG 4.06Å; L85-R87 PolarHBondContact O-N 2.72Å; R87-M89 VanDerWaalsContact C-N 3.28Å; R87-M89 PolarHBondContact O-N 3.26Å
88R85.4Confident87.4Confident191 Ų19172.2 Ų72.272%0.72137%0.374SS*.SBendtrans54.645.8177.4-57.1-177.4177.3-174.4-0.2112
89M90.9Very high87.9Confident37 Ų3769.4 Ų69.418%0.18236%0.36CS..  trans-68.1139.6176.3-67.4178-62.900110.4Q62 P63 A86 R87 R101 I102Q62-M89 HydrophobicContact CB-CE 4.38Å; Q62-M89 HydrophobicContact CB-SD 4.42Å; P63-M89 HydrophobicContact CB-SD 4.21Å; P63-M89 HydrophobicContact CG-SD 4.04Å; P63-M89 WeakPolarHBondContact O-CE 3.19Å; A86-M89 HydrophobicContact CB-CE 4.01Å; A86-M89 HydrophobicContact CB-SD 3.75Å; R87-M89 VanDerWaalsContact C-N 3.28Å; R87-M89 PolarHBondContact O-N 3.26Å; M89-R101 VanDerWaalsContact CA-O 3.28Å; M89-R101 WeakPolarHBondContact CA-O 3.17Å; M89-I102 HydrophobicContact CG-CG1 4.05Å; M89-I102 HydrophobicContact SD-CG1 4.43Å
90K90.8Very high88.4Confident130 Ų13067.4 Ų67.457%0.56535%0.35SS*.EExtended strand (participates in β ladder)trans-132111.4172.8-174.7172.9-177.5174.10109.2F100 R101K90-F100 WeakPolarHBondContact O-CA 3.31Å; K90-R101 PolarHBondContact N-O 3.25Å; K90-R101 PolarHBondContact O-N 3.33Å; K90-R101 VanDerWaalsContact O-N 3.09Å
91G92.3Very high88.8Confident34 Ų3464.9 Ų64.935%0.35134%0.338SS..EExtended strand (participates in β ladder)trans-73.3151.6171.100000111.9Y99G91-Y99 CarbonylContact C-O 3.51Å; G91-Y99 WeakPolarHBondContact CA-O 3.17Å
92Y92.8Very high89.1Confident49 Ų4958.9 Ų58.919%0.19231%0.31CS..EExtended strand (participates in β ladder)trans-162.3154.9168.168.2-80.6000110.2F94 Y99 R101 T144Y92-F94 HydrophobicContact CD2-CB 4.28Å; Y92-F94 HydrophobicContact CE2-CB 4.05Å; Y92-Y99 HydrophobicContact CD2-CD2 4.38Å; Y92-Y99 VanDerWaalsContact CE1-CB 3.47Å; Y92-Y99 HydrophobicContact CE1-CG 4.33Å; Y92-Y99 AromaticContact CE2-CD2 3.85Å; Y92-Y99 HydrophobicContact CE2-CD2 3.85Å; Y92-Y99 AromaticContact CE2-CG 3.98Å; Y92-Y99 HydrophobicContact CE2-CG 3.98Å; Y92-Y99 VanDerWaalsContact CZ-CB 3.42Å; Y92-Y99 AromaticContact CZ-CG 3.77Å; Y92-Y99 PolarHBondContact N-O 3.3Å; Y92-Y99 PolarHBondContact O-N 3.11Å; Y92-R101 HydrophobicContact CE1-CG 4.05Å; Y92-R101 PolarHBondContact OH-NH2 2.68Å; Y92-T144 HydrophobicContact CE1-CG2 4.37Å; Y92-T144 WeakPolarHBondContact OH-CG2 3.49Å
93S90.4Very high89.2Confident77 Ų7761.6 Ų61.654%0.53832%0.32SS..EExtended strand (participates in β ladder)trans-104.6142.1176.3-38.80000110.3N97 Q98S93-N97 WeakPolarHBondContact CA-O 3.21Å; S93-Q98 PolarHBondContact OG-NE2 2.88Å; S93-Q98 PolarHBondContact OG-OE1 2.94Å
94F86.1Confident88.6Confident132 Ų13256.8 Ų56.858%0.57930%0.295SS*.EExtended strand (participates in β ladder)trans-152.8126.2176.4178.4-104.3000110Y92 G96 N97 Y99Y92-F94 HydrophobicContact CD2-CB 4.28Å; Y92-F94 HydrophobicContact CE2-CB 4.05Å; F94-G96 VanDerWaalsContact C-N 3.3Å; F94-G96 PolarHBondContact O-N 3.03Å; F94-N97 PolarHBondContact N-O 3.48Å; F94-N97 PolarHBondContact O-N 2.89Å; F94-N97 VanDerWaalsContact O-N 3.11Å; F94-Y99 HydrophobicContact CB-CD2 4.16Å; F94-Y99 HydrophobicContact CB-CE2 3.81Å; F94-Y99 WeakPolarHBondContact O-CE2 3.4Å
95G82.3Confident87.3Confident42 Ų4261 Ų6143%0.43332%0.32SS..THydrogen-bonded Turntrans56.938.7178.800000114.1N97G95-N97 PolarHBondContact O-N 3.3Å
96G82Confident85.9Confident71 Ų7162.8 Ų62.873%0.73233%0.325SS*.THydrogen-bonded Turntrans81-15.4-177.900000115.4F94F94-G96 VanDerWaalsContact C-N 3.3Å; F94-G96 PolarHBondContact O-N 3.03Å
97N85.5Confident84Confident2 Ų268.9 Ų68.91%0.01136%0.358CS..EExtended strand (participates in β ladder)trans-93.2143.2179.7-67.1-33.1000111.9S34 S93 F94 G95 Y99 K151S34-N97 PolarHBondContact O-ND2 2.84Å; S93-N97 WeakPolarHBondContact CA-O 3.21Å; F94-N97 PolarHBondContact N-O 3.48Å; F94-N97 PolarHBondContact O-N 2.89Å; F94-N97 VanDerWaalsContact O-N 3.11Å; G95-N97 PolarHBondContact O-N 3.3Å; N97-Y99 HydrophobicContact CB-CD2 4.38Å; N97-Y99 HydrophobicContact CB-CE2 3.5Å; N97-Y99 VanDerWaalsContact CB-CE2 3.5Å; N97-Y99 WeakPolarHBondContact O-CD2 3.32Å; N97-Y99 WeakPolarHBondContact O-CE2 3.33Å; N97-K151 WeakPolarHBondContact OD1-CE 3.27Å; N97-K151 PolarHBondContact OD1-NZ 3.16Å
98Q90.9Very high82.4Confident68 Ų6871.8 Ų71.832%0.31837%0.374SS..EExtended strand (participates in β ladder)trans-86.9139.3168.5-65.9-58.7-20.900110.2S93 E147 D150S93-Q98 PolarHBondContact OG-NE2 2.88Å; S93-Q98 PolarHBondContact OG-OE1 2.94Å; Q98-E147 HydrophobicContact CB-CB 3.77Å; Q98-E147 HydrophobicContact CB-CG 4.33Å; Q98-E147 VanDerWaalsContact O-CB 3.29Å; Q98-E147 WeakPolarHBondContact O-CB 3.36Å; Q98-E147 PolarHBondContact O-N 2.6Å; Q98-D150 WeakPolarHBondContact CG-OD2 3.37Å
99Y92.8Very high80.7Confident9 Ų969.2 Ų69.24%0.03538%0.38CS..EExtended strand (participates in β ladder)trans-133.3156.1178.2-60.2-96.7000110.5G91 Y92 F94 N97 L137 T144 F145 I146G91-Y99 CarbonylContact C-O 3.51Å; G91-Y99 WeakPolarHBondContact CA-O 3.17Å; Y92-Y99 HydrophobicContact CD2-CD2 4.38Å; Y92-Y99 VanDerWaalsContact CE1-CB 3.47Å; Y92-Y99 HydrophobicContact CE1-CG 4.33Å; Y92-Y99 AromaticContact CE2-CD2 3.85Å; Y92-Y99 HydrophobicContact CE2-CD2 3.85Å; Y92-Y99 AromaticContact CE2-CG 3.98Å; Y92-Y99 HydrophobicContact CE2-CG 3.98Å; Y92-Y99 VanDerWaalsContact CZ-CB 3.42Å; Y92-Y99 AromaticContact CZ-CG 3.77Å; Y92-Y99 PolarHBondContact N-O 3.3Å; Y92-Y99 PolarHBondContact O-N 3.11Å; F94-Y99 HydrophobicContact CB-CD2 4.16Å; F94-Y99 HydrophobicContact CB-CE2 3.81Å; F94-Y99 WeakPolarHBondContact O-CE2 3.4Å; N97-Y99 HydrophobicContact CB-CD2 4.38Å; N97-Y99 HydrophobicContact CB-CE2 3.5Å; N97-Y99 VanDerWaalsContact CB-CE2 3.5Å; N97-Y99 WeakPolarHBondContact O-CD2 3.32Å; N97-Y99 WeakPolarHBondContact O-CE2 3.33Å; Y99-L137 HydrophobicContact CD1-CD1 4.06Å; Y99-L137 HydrophobicContact CE1-CD1 3.5Å; Y99-L137 VanDerWaalsContact CE1-CD1 3.5Å; Y99-T144 HydrophobicContact CD1-CG2 4.08Å; Y99-F145 CarbonylContact C-O 3.58Å; Y99-F145 WeakPolarHBondContact CA-O 3.25Å; Y99-F145 WeakPolarHBondContact CB-O 3.37Å; Y99-I146 HydrophobicContact CD1-CG1 3.87Å; Y99-I146 HydrophobicContact CE1-CB 4.45Å; Y99-I146 HydrophobicContact CE1-CD1 4.44Å; Y99-I146 HydrophobicContact CE1-CG1 3.4Å; Y99-I146 VanDerWaalsContact CE1-CG1 3.4Å
100F93.7Very high78.8Confident1 Ų169.3 Ų69.30%0.00439%0.39CS..EExtended strand (participates in β ladder)trans-136.6157.116463.5-87.6000111.5Q62 K90 I102 L119 Y130 F145 E147Q62-F100 HydrophobicContact CG-CB 4.26Å; Q62-F100 HydrophobicContact CG-CG 4.4Å; K90-F100 WeakPolarHBondContact O-CA 3.31Å; F100-I102 HydrophobicContact CD2-CD1 4.49Å; F100-I102 HydrophobicContact CD2-CG1 4.08Å; F100-I102 HydrophobicContact CE2-CD1 3.98Å; F100-I102 HydrophobicContact CE2-CG1 4.04Å; F100-L119 HydrophobicContact CE2-CD2 3.56Å; F100-L119 HydrophobicContact CZ-CD2 3.7Å; F100-Y130 WeakPolarHBondContact CE1-O 2.9Å; F100-F145 HydrophobicContact CD1-CB 4.39Å; F100-F145 HydrophobicContact CD2-CB 4.38Å; F100-F145 HydrophobicContact CD2-CD2 4.03Å; F100-F145 HydrophobicContact CE1-CB 3.9Å; F100-F145 HydrophobicContact CE2-CB 3.89Å; F100-F145 AromaticContact CE2-CD2 3.6Å; F100-F145 HydrophobicContact CE2-CD2 3.6Å; F100-F145 HydrophobicContact CE2-CE2 4.47Å; F100-F145 AromaticContact CE2-CG 3.95Å; F100-F145 HydrophobicContact CE2-CG 3.95Å; F100-F145 HydrophobicContact CZ-CB 3.63Å; F100-F145 HydrophobicContact CZ-CD2 4.17Å; F100-F145 HydrophobicContact CZ-CG 4.04Å; F100-F145 PolarHBondContact N-O 3.11Å; F100-F145 PolarHBondContact O-N 3.15Å; F100-E147 HydrophobicContact CD1-CB 3.98Å; F100-E147 HydrophobicContact CD1-CG 4Å; F100-E147 HydrophobicContact CE1-CB 4.24Å; F100-E147 HydrophobicContact CE1-CG 4.24Å
101R92.2Very high77.1Confident29 Ų2973.1 Ų73.111%0.10941%0.407CS..EExtended strand (participates in β ladder)trans-114.3136.4175.4-65.1-174.9174.31050.5110.8M89 K90 Y92 R142 S143 T144M89-R101 VanDerWaalsContact CA-O 3.28Å; M89-R101 WeakPolarHBondContact CA-O 3.17Å; K90-R101 PolarHBondContact N-O 3.25Å; K90-R101 PolarHBondContact O-N 3.33Å; K90-R101 VanDerWaalsContact O-N 3.09Å; Y92-R101 HydrophobicContact CE1-CG 4.05Å; Y92-R101 PolarHBondContact OH-NH2 2.68Å; R101-R142 HydrophobicContact CB-CB 4.45Å; R101-S143 VanDerWaalsContact CA-O 3.24Å; R101-S143 WeakPolarHBondContact CA-O 2.99Å; R101-T144 HydrophobicContact CG-CG2 4.5Å; R101-T144 PolarHBondContact NE-OG1 2.89Å
102I90.7Very high75.7Confident0 Ų073.2 Ų73.20%040%0.401CS..EExtended strand (participates in β ladder)trans-107.2136.5167.7-61.3-176.3000108L85 M89 F100 D104 L119 R142 S143 F145L85-I102 WeakPolarHBondContact O-CG2 2.96Å; M89-I102 HydrophobicContact CG-CG1 4.05Å; M89-I102 HydrophobicContact SD-CG1 4.43Å; F100-I102 HydrophobicContact CD2-CD1 4.49Å; F100-I102 HydrophobicContact CD2-CG1 4.08Å; F100-I102 HydrophobicContact CE2-CD1 3.98Å; F100-I102 HydrophobicContact CE2-CG1 4.04Å; I102-D104 PolarHBondContact O-N 3.25Å; I102-L119 HydrophobicContact CD1-CD1 4.4Å; I102-L119 HydrophobicContact CD1-CD2 3.53Å; I102-R142 VanDerWaalsContact O-CA 3.29Å; I102-R142 WeakPolarHBondContact O-CA 3.4Å; I102-S143 PolarHBondContact N-O 3.41Å; I102-S143 PolarHBondContact O-N 3.23Å; I102-S143 VanDerWaalsContact O-N 3.09Å; I102-F145 HydrophobicContact CB-CE2 4.11Å; I102-F145 HydrophobicContact CD1-CE2 4.19Å; I102-F145 HydrophobicContact CG1-CD2 4.41Å; I102-F145 HydrophobicContact CG1-CE2 4.06Å
103K86.1Confident74.7Confident83 Ų8372.6 Ų72.636%0.36140%0.399SS..EExtended strand (participates in β ladder)trans-66109.3170.7-174.7-173.7176.9-169.40107.8R141K103-R141 WeakPolarHBondContact CA-O 3.31Å
104D75.9Confident74.1Confident13 Ų1373.7 Ų73.77%0.0740%0.399CS..  trans-102112.8176.6-167-18.2000107.7L84 I102 F106 R141 S143L84-D104 HydrophobicContact CD2-CB 4.27Å; L84-D104 WeakPolarHBondContact CD2-OD1 3.5Å; I102-D104 PolarHBondContact O-N 3.25Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 WeakPolarHBondContact OD1-CB 3.31Å; D104-F106 VanDerWaalsContact OD1-CD2 3.26Å; D104-F106 WeakPolarHBondContact OD1-CD2 3.34Å; D104-F106 PolarHBondContact OD1-N 3.12Å; D104-R141 PolarHBondContact N-O 2.65Å; D104-R141 CarbonylContact O-C 3.56Å; D104-R141 WeakPolarHBondContact O-CA 3.42Å; D104-R141 WeakPolarHBondContact O-CB 3.46Å; D104-R141 VanDerWaalsContact O-O 3.1Å; D104-S143 WeakPolarHBondContact CB-OG 3.42Å; D104-S143 PolarHBondContact OD2-OG 3.33Å
105T59.8Low74Confident97 Ų9772.9 Ų72.960%0.59540%0.404SS*.  trans-87.5-5.6178.9420000112.8D107T105-D107 PolarHBondContact O-N 3.41Å; T105-D107 VanDerWaalsContact O-N 3.11Å
106F61.9Low74.2Confident118 Ų11873 Ų7352%0.51841%0.405SS..SBendtrans-71.1111.1173.6-63.9-79.4000108.2T82 L83 L84 D104T82-F106 HydrophobicContact CG2-CD2 3.57Å; T82-F106 HydrophobicContact CG2-CE2 3.94Å; T82-F106 HydrophobicContact CG2-CG 4.08Å; L83-F106 WeakPolarHBondContact O-CE2 3.43Å; L84-F106 HydrophobicContact CD2-CD2 3.8Å; L84-F106 HydrophobicContact CD2-CE2 3.97Å; D104-F106 VanDerWaalsContact C-N 3.33Å; D104-F106 WeakPolarHBondContact OD1-CB 3.31Å; D104-F106 VanDerWaalsContact OD1-CD2 3.26Å; D104-F106 WeakPolarHBondContact OD1-CD2 3.34Å; D104-F106 PolarHBondContact OD1-N 3.12Å
107D53.1Low74.5Confident128 Ų12870 Ų7068%0.68437%0.373SS*.  trans-56.4147.5170.3-140.4-17.3000108.6T105 T109T105-D107 PolarHBondContact O-N 3.41Å; T105-D107 VanDerWaalsContact O-N 3.11Å; D107-T109 PolarHBondContact O-N 3.32Å; D107-T109 PolarHBondContact O-OG1 2.91Å; D107-T109 VanDerWaalsContact O-OG1 3.08Å
108K54.1Low74.9Confident196 Ų19672.1 Ų72.185%0.85239%0.387SS*.  trans-62.158-167-62.2-177.6176.6-176.90114.3G110K108-G110 PolarHBondContact O-N 3.1Å
109T50.1Low75Confident137 Ų13768.9 Ų68.984%0.8437%0.372SS*.  trans-76.223.8-173.342.60000113.7D107D107-T109 PolarHBondContact O-N 3.32Å; D107-T109 PolarHBondContact O-OG1 2.91Å; D107-T109 VanDerWaalsContact O-OG1 3.08Å
110G51.8Low75.2Confident40 Ų4069.2 Ų69.241%0.41238%0.375SS..  trans114.599.8151.800000114K108 T112K108-G110 PolarHBondContact O-N 3.1Å; G110-T112 WeakPolarHBondContact O-CG2 3.4Å; G110-T112 PolarHBondContact O-N 3.35Å
111K55.4Low75.3Confident210 Ų21069.2 Ų69.291%0.91338%0.375SS*.SBendtrans47.716.9147.5-66.3-173.5176.3-1790119.1
112T61.8Low75.5Confident36 Ų3674.3 Ų74.322%0.22139%0.394CS..  trans-76.7-33.9-174.148.60000113.3G73 I74 K80 G110G73-T112 CarbonylContact C-O 3.49Å; G73-T112 WeakPolarHBondContact CA-O 3.44Å; I74-T112 PolarHBondContact N-O 2.77Å; K80-T112 HydrophobicContact CB-CG2 4.46Å; G110-T112 WeakPolarHBondContact O-CG2 3.4Å; G110-T112 PolarHBondContact O-N 3.35Å
113H72.2Confident75.8Confident35 Ų3575.7 Ų75.716%0.16240%0.401CS..  trans-96.5109-174-53.6-60.5000110.9L71 T72 T82 N133L71-H113 HydrophobicContact CD2-CB 4.16Å; L71-H113 HydrophobicContact CG-CB 4.41Å; L71-H113 PolarHBondContact O-CE1 2.86Å; T72-H113 PolarHBondContact O-ND1 2.77Å; T82-H113 WeakPolarHBondContact CB-NE2 3.43Å; T82-H113 PolarHBondContact OG1-CE1 3.06Å; T82-H113 VanDerWaalsContact OG1-CE1 3.28Å; T82-H113 PolarHBondContact OG1-NE2 3.19Å; H113-N133 WeakPolarHBondContact CB-ND2 3.47Å
114L78.2Confident76.2Confident101 Ų10178.6 Ų78.653%0.52942%0.42SS..  trans-78.1161177.7-58.6175.2000110.6G116 S117 N133L114-G116 PolarHBondContact O-N 2.81Å; L114-S117 PolarHBondContact N-OG 2.8Å; L114-S117 VanDerWaalsContact O-CB 3.28Å; L114-S117 WeakPolarHBondContact O-CB 3.17Å; L114-S117 PolarHBondContact O-N 3.15Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.82Å; L114-N133 PolarHBondContact O-ND2 3.22Å
115V83.8Confident77.1Confident114 Ų11480.1 Ų80.169%0.69144%0.439SS*.THydrogen-bonded Turntrans-53.8135.8160.1178.60000107.4N133 P135V115-N133 WeakPolarHBondContact CA-O 3.46Å; V115-P135 HydrophobicContact CG2-CG 4.36Å
116G85.6Confident78.8Confident44 Ų4480.4 Ų80.445%0.45444%0.436SS..THydrogen-bonded Turntrans93.7-10.5-17600000114.3L114 N133L114-G116 PolarHBondContact O-N 2.81Å; G116-N133 PolarHBondContact N-O 2.8Å
117S89.3Confident80.5Confident9 Ų980.3 Ų80.36%0.06343%0.433CS..  trans-64.9129.8-178.4-59.80000111.4T72 L114 N133T72-S117 WeakPolarHBondContact O-CB 3.29Å; T72-S117 PolarHBondContact O-OG 2.83Å; L114-S117 PolarHBondContact N-OG 2.8Å; L114-S117 VanDerWaalsContact O-CB 3.28Å; L114-S117 WeakPolarHBondContact O-CB 3.17Å; L114-S117 PolarHBondContact O-N 3.15Å; L114-S117 VanDerWaalsContact O-N 3.1Å; L114-S117 PolarHBondContact O-OG 2.82Å; S117-N133 WeakPolarHBondContact O-CB 2.91Å; S117-N133 PolarHBondContact O-N 3.15Å
118P93.5Very high82.6Confident46 Ų4674.6 Ų74.630%0.29940%0.402SS..EExtended strand (participates in β ladder)trans-74.9135.2-176.130-34.6000111.2L71 T72 L129L71-P118 WeakPolarHBondContact CD1-O 3.33Å; T72-P118 PolarHBondContact N-O 2.61Å; T72-P118 WeakPolarHBondContact OG1-CD 3.34Å; T72-P118 WeakPolarHBondContact OG1-CG 3.38Å; P118-L129 HydrophobicContact CB-CD1 3.51Å
119L94.2Very high84.6Confident0 Ų066.8 Ų66.80%037%0.37CS..EExtended strand (participates in β ladder)trans-100.3109.8162.1-17978.5000108.7C69 L71 L84 F100 I102 Y130 G131 F145C69-L119 HydrophobicContact CB-CD1 3.96Å; L71-L119 HydrophobicContact CB-CD1 4.12Å; L84-L119 HydrophobicContact CD1-CD1 4.21Å; F100-L119 HydrophobicContact CE2-CD2 3.56Å; F100-L119 HydrophobicContact CZ-CD2 3.7Å; I102-L119 HydrophobicContact CD1-CD1 4.4Å; I102-L119 HydrophobicContact CD1-CD2 3.53Å; L119-Y130 PolarHBondContact O-N 2.89Å; L119-G131 WeakPolarHBondContact CB-O 3.46Å; L119-G131 PolarHBondContact N-O 3.21Å; L119-G131 PolarHBondContact O-N 3.4Å; L119-F145 HydrophobicContact CB-CD1 3.66Å; L119-F145 HydrophobicContact CB-CE1 3.63Å; L119-F145 HydrophobicContact CB-CG 4.4Å; L119-F145 HydrophobicContact CB-CZ 4.31Å; L119-F145 HydrophobicContact CD1-CE1 4.03Å; L119-F145 HydrophobicContact CD1-CZ 3.9Å; L119-F145 HydrophobicContact CD2-CD1 3.98Å; L119-F145 HydrophobicContact CD2-CD2 3.9Å; L119-F145 HydrophobicContact CD2-CE1 4.01Å; L119-F145 HydrophobicContact CD2-CE2 3.91Å; L119-F145 HydrophobicContact CD2-CG 3.94Å; L119-F145 HydrophobicContact CD2-CZ 3.96Å; L119-F145 HydrophobicContact CG-CD1 4.32Å; L119-F145 HydrophobicContact CG-CE1 4.09Å; L119-F145 HydrophobicContact CG-CZ 4.28Å
120V95.9Very high86.8Confident17 Ų1760.2 Ų60.210%0.10333%0.33CS..EExtended strand (participates in β ladder)trans-103.2139.3172.7-62.70000109.7V55 C69 A70 W127 T128 L129V55-V120 HydrophobicContact CB-CG1 4.45Å; V55-V120 HydrophobicContact CG1-CG1 3.92Å; C69-V120 CarbonylContact C-O 3.41Å; C69-V120 WeakPolarHBondContact CA-O 3.47Å; C69-V120 WeakPolarHBondContact CB-O 2.96Å; A70-V120 HydrophobicContact CB-CG2 3.91Å; A70-V120 PolarHBondContact N-O 3.26Å; A70-V120 WeakPolarHBondContact O-CG2 2.94Å; A70-V120 PolarHBondContact O-N 3.08Å; V120-W127 HydrophobicContact CB-CE3 4.11Å; V120-W127 HydrophobicContact CG2-CD2 4.47Å; V120-W127 HydrophobicContact CG2-CE3 3.71Å; V120-W127 HydrophobicContact CG2-CZ3 4.14Å; V120-T128 CarbonylContact C-O 3.2Å; V120-T128 VanDerWaalsContact CA-O 3.24Å; V120-T128 WeakPolarHBondContact CA-O 3.34Å; V120-L129 HydrophobicContact CG1-CB 4.44Å; V120-L129 HydrophobicContact CG1-CD1 4.11Å
121C96.6Very high88.8Confident0 Ų058.3 Ų58.30%031%0.31CS..EExtended strand (participates in β ladder)trans-132149177.2-59.60000110.6P63 P68 C69 H123 T128 Y130P63-C121 HydrophobicContact CB-CB 3.75Å; P63-C121 HydrophobicContact CG-CB 4Å; P63-C121 WeakPolarHBondContact CG-SG 3.29Å; P68-C121 CarbonylContact O-C 3.58Å; P68-C121 WeakPolarHBondContact O-CA 3.49Å; C69-C121 HydrophobicContact CB-CB 4.05Å; C69-C121 WeakPolarHBondContact CB-SG 3.42Å; C69-C121 WeakPolarHBondContact SG-CB 3.4Å; C69-C121 CovalentContact SG-SG 2.04Å; C69-C121 PolarHBondContact SG-SG 2.97Å; C121-H123 PolarHBondContact O-N 3.32Å; C121-T128 PolarHBondContact N-O 3.5Å; C121-T128 PolarHBondContact O-N 3.16Å; C121-Y130 HydrophobicContact CB-CD2 3.82Å; C121-Y130 HydrophobicContact CB-CE2 4.25Å
122R96.8Very high90.5Very high136 Ų13649.9 Ų49.951%0.51328%0.275SS..EExtended strand (participates in β ladder)trans-74.3120.9179.1-163.3176.8-179.4-161.4-3.1110.4S67 P68 L126S67-R122 VanDerWaalsContact CB-O 3.25Å; S67-R122 WeakPolarHBondContact CB-O 3.35Å; P68-R122 PolarHBondContact O-N 3.43Å; R122-L126 CarbonylContact C-O 3.55Å; R122-L126 VanDerWaalsContact CA-O 3.31Å; R122-L126 WeakPolarHBondContact CA-O 3.46Å
123H95.9Very high91.9Very high30 Ų3048.5 Ų48.514%0.13927%0.266CS..EExtended strand (participates in β ladder)trans-134.2122174.9-174.4178.4000108.7P64 C121 G125 L126 Y130P64-H123 HydrophobicContact CG-CB 4.05Å; C121-H123 PolarHBondContact O-N 3.32Å; H123-G125 PolarHBondContact O-N 3.1Å; H123-L126 PolarHBondContact N-O 3.24Å; H123-L126 PolarHBondContact O-N 3.43Å; H123-Y130 HydrophobicContact CB-CE2 4.29Å; H123-Y130 PolarHBondContact CE1-OH 2.86Å; H123-Y130 AromaticContact ND1-CZ 3.9Å; H123-Y130 PolarHBondContact ND1-OH 3.08Å
124N94.5Very high92.7Very high143 Ų14347.8 Ų47.877%0.76526%0.264SS*.THydrogen-bonded Turntrans52.140.8-178.9-60.2-19.9000113.2L126N124-L126 PolarHBondContact O-N 2.7Å
125G94.5Very high93Very high45 Ų4545.5 Ų45.546%0.46426%0.255SS..THydrogen-bonded Turntrans83.9-14.4179.600000115.2H123H123-G125 PolarHBondContact O-N 3.1Å
126L96.3Very high93.1Very high104 Ų10443.5 Ų43.555%0.54526%0.258SS..EExtended strand (participates in β ladder)trans-104153.8-176-61170.5000111.9R122 H123 N124R122-L126 CarbonylContact C-O 3.55Å; R122-L126 VanDerWaalsContact CA-O 3.31Å; R122-L126 WeakPolarHBondContact CA-O 3.46Å; H123-L126 PolarHBondContact N-O 3.24Å; H123-L126 PolarHBondContact O-N 3.43Å; N124-L126 PolarHBondContact O-N 2.7Å
127W96.9Very high93.1Very high116 Ų11644.1 Ų44.144%0.43925%0.25SS..EExtended strand (participates in β ladder)trans-84.9118.2173.1-72.7105.3000110.3C56 A70 V120C56-W127 WeakPolarHBondContact CB-O 3.19Å; C56-W127 PolarHBondContact N-O 3.34Å; A70-W127 HydrophobicContact CB-CH2 4.34Å; A70-W127 HydrophobicContact CB-CZ3 4.16Å; V120-W127 HydrophobicContact CB-CE3 4.11Å; V120-W127 HydrophobicContact CG2-CD2 4.47Å; V120-W127 HydrophobicContact CG2-CE3 3.71Å; V120-W127 HydrophobicContact CG2-CZ3 4.14Å
128T97.4Very high93Very high7 Ų746 Ų464%0.04327%0.266CS..EExtended strand (participates in β ladder)trans-117.7132.3-174-56.30000110.7C56 L57 P58 V120 C121 Y130C56-T128 HydrophobicContact CB-CG2 4.33Å; C56-T128 CarbonylContact O-C 3.43Å; C56-T128 VanDerWaalsContact O-CA 3.29Å; C56-T128 WeakPolarHBondContact O-CA 3.22Å; L57-T128 WeakPolarHBondContact O-CG2 3.39Å; P58-T128 VanDerWaalsContact CA-CG2 3.47Å; P58-T128 HydrophobicContact CB-CG2 4.06Å; V120-T128 CarbonylContact C-O 3.2Å; V120-T128 VanDerWaalsContact CA-O 3.24Å; V120-T128 WeakPolarHBondContact CA-O 3.34Å; C121-T128 PolarHBondContact N-O 3.5Å; C121-T128 PolarHBondContact O-N 3.16Å; T128-Y130 HydrophobicContact CG2-CD2 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.65Å; T128-Y130 WeakPolarHBondContact O-CD2 3.28Å; T128-Y130 PolarHBondContact O-N 3.11Å
129L96Very high92.5Very high32 Ų3249.7 Ų49.717%0.16828%0.277CS..EExtended strand (participates in β ladder)trans-77.9104.1178.5-178.965.7000110.5V55 C56 P58 P118 V120 L148V55-L129 HydrophobicContact CB-CB 4.42Å; V55-L129 HydrophobicContact CG2-CB 3.76Å; V55-L129 HydrophobicContact CG2-CD2 4.34Å; C56-L129 PolarHBondContact O-N 3Å; P58-L129 WeakPolarHBondContact CD-O 3.38Å; P58-L129 WeakPolarHBondContact CG-O 3.48Å; P118-L129 HydrophobicContact CB-CD1 3.51Å; V120-L129 HydrophobicContact CG1-CB 4.44Å; V120-L129 HydrophobicContact CG1-CD1 4.11Å; L129-L148 HydrophobicContact CD1-CD1 4.32Å; L129-L148 HydrophobicContact CD2-CD1 3.65Å; L129-L148 HydrophobicContact CG-CD1 3.53Å
130Y95.6Very high91.9Very high0 Ų058.4 Ų58.40%032%0.316CS..EExtended strand (participates in β ladder)trans-95.5-27.5-176.6-89.9-80.8000114.1P58 Q60 Q62 P63 F100 L119 C121 H123 T128 L148P58-Y130 HydrophobicContact CB-CD1 3.96Å; P58-Y130 HydrophobicContact CB-CE1 3.91Å; Q60-Y130 HydrophobicContact CG-CE1 4Å; Q60-Y130 WeakPolarHBondContact O-CE1 3.44Å; Q62-Y130 VanDerWaalsContact C-CD1 3.46Å; Q62-Y130 WeakPolarHBondContact O-CE1 3.35Å; P63-Y130 HydrophobicContact CB-CD1 4.5Å; P63-Y130 HydrophobicContact CB-CD2 4.1Å; P63-Y130 HydrophobicContact CB-CE2 4.2Å; P63-Y130 HydrophobicContact CB-CG 4.23Å; P63-Y130 HydrophobicContact CG-CD1 3.95Å; P63-Y130 HydrophobicContact CG-CD2 3.84Å; P63-Y130 HydrophobicContact CG-CE2 4.41Å; P63-Y130 HydrophobicContact CG-CG 3.56Å; P63-Y130 VanDerWaalsContact N-CD1 3.34Å; P63-Y130 VanDerWaalsContact N-CE1 3.35Å; F100-Y130 WeakPolarHBondContact CE1-O 2.9Å; L119-Y130 PolarHBondContact O-N 2.89Å; C121-Y130 HydrophobicContact CB-CD2 3.82Å; C121-Y130 HydrophobicContact CB-CE2 4.25Å; H123-Y130 HydrophobicContact CB-CE2 4.29Å; H123-Y130 PolarHBondContact CE1-OH 2.86Å; H123-Y130 AromaticContact ND1-CZ 3.9Å; H123-Y130 PolarHBondContact ND1-OH 3.08Å; T128-Y130 HydrophobicContact CG2-CD2 4.01Å; T128-Y130 HydrophobicContact CG2-CE2 3.65Å; T128-Y130 WeakPolarHBondContact O-CD2 3.28Å; T128-Y130 PolarHBondContact O-N 3.11Å; Y130-L148 PolarHBondContact O-N 3.2Å
131G93.8Very high91.2Very high0 Ų065.7 Ų65.70%034%0.341CS..EExtended strand (participates in β ladder)trans-165.8167.6-178.700000115L119 I146L119-G131 WeakPolarHBondContact CB-O 3.46Å; L119-G131 PolarHBondContact N-O 3.21Å; L119-G131 PolarHBondContact O-N 3.4Å; G131-I146 CarbonylContact C-O 3.52Å; G131-I146 WeakPolarHBondContact CA-O 3.36Å
132I92.2Very high90.8Very high33 Ų3370.6 Ų70.617%0.16936%0.36CS..EExtended strand (participates in β ladder)trans-112.4128177.7-64.3179.9000108.5V37 V134 F145 I146 L148V37-I132 HydrophobicContact CG1-CD1 4.3Å; V37-I132 HydrophobicContact CG2-CD1 4.28Å; I132-V134 PolarHBondContact O-N 3.42Å; I132-F145 CarbonylContact O-C 3.58Å; I132-F145 WeakPolarHBondContact O-CA 3.23Å; I132-I146 PolarHBondContact N-O 3.05Å; I132-I146 PolarHBondContact O-N 3.04Å; I132-L148 HydrophobicContact CD1-CD1 4.5Å; I132-L148 HydrophobicContact CD1-CD2 3.9Å; I132-L148 HydrophobicContact CG1-CD1 4.08Å; I132-L148 HydrophobicContact CG1-CD2 4.09Å; I132-L148 HydrophobicContact CG1-CG 4.42Å
133N90.7Very high90.4Very high6 Ų665 Ų653%0.03234%0.341CS..EExtended strand (participates in β ladder)trans-65.3132.8-177.2-177.645.6000112.1L71 H113 L114 V115 G116 S117 P135 F145L71-N133 HydrophobicContact CD1-CB 4.02Å; H113-N133 WeakPolarHBondContact CB-ND2 3.47Å; L114-N133 PolarHBondContact O-ND2 3.22Å; V115-N133 WeakPolarHBondContact CA-O 3.46Å; G116-N133 PolarHBondContact N-O 2.8Å; S117-N133 WeakPolarHBondContact O-CB 2.91Å; S117-N133 PolarHBondContact O-N 3.15Å; N133-P135 WeakPolarHBondContact ND2-CG 3.43Å; N133-F145 HydrophobicContact CB-CD1 4.07Å; N133-F145 HydrophobicContact CB-CE1 3.93Å
134V89.3Confident90.2Very high20 Ų2063.5 Ų63.512%0.12133%0.334CS..  trans-125.384.3175.4-170.70000109.9I132 G136 L137 T144 I146I132-V134 PolarHBondContact O-N 3.42Å; V134-G136 PolarHBondContact O-N 3.43Å; V134-G136 VanDerWaalsContact O-N 3.15Å; V134-L137 HydrophobicContact CG1-CB 4.21Å; V134-L137 HydrophobicContact CG1-CD1 3.93Å; V134-L137 HydrophobicContact CG1-CG 3.83Å; V134-L137 PolarHBondContact O-N 3.06Å; V134-L137 VanDerWaalsContact O-N 3.08Å; V134-T144 PolarHBondContact N-O 2.83Å; V134-I146 HydrophobicContact CG2-CD1 3.39Å; V134-I146 HydrophobicContact CG2-CG1 3.54Å
135P84.8Confident90.1Very high53 Ų5356.7 Ų56.734%0.34430%0.298SS..G310 helixtrans-53.7-34.7-179.1-28.133.7000114.5V115 N133 L137 A138V115-P135 HydrophobicContact CG2-CG 4.36Å; N133-P135 WeakPolarHBondContact ND2-CG 3.43Å; P135-L137 PolarHBondContact O-N 3.16Å; P135-A138 VanDerWaalsContact O-CB 3.22Å; P135-A138 WeakPolarHBondContact O-CB 3.44Å; P135-A138 PolarHBondContact O-N 2.8Å; P135-A138 VanDerWaalsContact O-N 3.11Å
136G84.8Confident90Very high73 Ų7354.8 Ų54.875%0.75328%0.277SS*.G310 helixtrans-62.7-22.2-179.800000114.3V134V134-G136 PolarHBondContact O-N 3.43Å; V134-G136 VanDerWaalsContact O-N 3.15Å
137L86.9Confident89.8Confident56 Ų5650.1 Ų50.129%0.29325%0.253SS..G310 helixtrans-104.55.1178.6-60.5-179000113Y99 V134 P135 T144Y99-L137 HydrophobicContact CD1-CD1 4.06Å; Y99-L137 HydrophobicContact CE1-CD1 3.5Å; Y99-L137 VanDerWaalsContact CE1-CD1 3.5Å; V134-L137 HydrophobicContact CG1-CB 4.21Å; V134-L137 HydrophobicContact CG1-CD1 3.93Å; V134-L137 HydrophobicContact CG1-CG 3.83Å; V134-L137 PolarHBondContact O-N 3.06Å; V134-L137 VanDerWaalsContact O-N 3.08Å; P135-L137 PolarHBondContact O-N 3.16Å; L137-T144 HydrophobicContact CB-CG2 3.74Å; L137-T144 PolarHBondContact O-OG1 3.1Å
138A85.7Confident89.6Confident48 Ų4844.9 Ų44.940%0.39723%0.233SC..  trans-66.4148.1179.700000111.4P135P135-A138 VanDerWaalsContact O-CB 3.22Å; P135-A138 WeakPolarHBondContact O-CB 3.44Å; P135-A138 PolarHBondContact O-N 2.8Å; P135-A138 VanDerWaalsContact O-N 3.11Å
139K83.9Confident89.3Confident124 Ų12447.7 Ų47.754%0.53924%0.243SC..BIsolated β-bridgetrans-112.7165.9172.9-68.5-171.4174.1-173.90109.5R141 R142K139-R141 PolarHBondContact O-N 2.81Å; K139-R141 VanDerWaalsContact O-N 3.1Å; K139-R142 HydrophobicContact CB-CB 4.26Å; K139-R142 PolarHBondContact N-O 3.33Å; K139-R142 PolarHBondContact O-N 3.05Å
140K81.4Confident88.8Confident184 Ų18449.3 Ų49.380%0.825%0.252SS*.THydrogen-bonded Turntrans-51.1121.8175.2-171.9174.5-176.8176.50109.9R142K140-R142 VanDerWaalsContact C-N 3.25Å; K140-R142 PolarHBondContact O-N 2.92Å
141R81.9Confident88.3Confident170 Ų17050 Ų5064%0.64226%0.255SS*.THydrogen-bonded Turntrans59.227.8-177.8-58175.6175.4-179.5-3.7114.7K103 D104 K139K103-R141 WeakPolarHBondContact CA-O 3.31Å; D104-R141 PolarHBondContact N-O 2.65Å; D104-R141 CarbonylContact O-C 3.56Å; D104-R141 WeakPolarHBondContact O-CA 3.42Å; D104-R141 WeakPolarHBondContact O-CB 3.46Å; D104-R141 VanDerWaalsContact O-O 3.1Å; K139-R141 PolarHBondContact O-N 2.81Å; K139-R141 VanDerWaalsContact O-N 3.1Å
142R86.7Confident87.9Confident102 Ų10250.5 Ų50.539%0.38526%0.258SS..EExtended strand (participates in β ladder)trans-145.1118.7177.7-65.7-172.6-178.9-179.61.3111.5R101 I102 K139 K140R101-R142 HydrophobicContact CB-CB 4.45Å; I102-R142 VanDerWaalsContact O-CA 3.29Å; I102-R142 WeakPolarHBondContact O-CA 3.4Å; K139-R142 HydrophobicContact CB-CB 4.26Å; K139-R142 PolarHBondContact N-O 3.33Å; K139-R142 PolarHBondContact O-N 3.05Å; K140-R142 VanDerWaalsContact C-N 3.25Å; K140-R142 PolarHBondContact O-N 2.92Å
143S88.8Confident87.5Confident18 Ų1852 Ų5213%0.12627%0.266CS..EExtended strand (participates in β ladder)trans-82.8141.1169.4-58.80000108.9R101 I102 D104R101-S143 VanDerWaalsContact CA-O 3.24Å; R101-S143 WeakPolarHBondContact CA-O 2.99Å; I102-S143 PolarHBondContact N-O 3.41Å; I102-S143 PolarHBondContact O-N 3.23Å; I102-S143 VanDerWaalsContact O-N 3.09Å; D104-S143 WeakPolarHBondContact CB-OG 3.42Å; D104-S143 PolarHBondContact OD2-OG 3.33Å
144T91.5Very high86.9Confident0 Ų054.2 Ų54.20%028%0.282CS..EExtended strand (participates in β ladder)trans-113.9135.8-177.6-64.40000108.8Y92 Y99 R101 V134 L137Y92-T144 HydrophobicContact CE1-CG2 4.37Å; Y92-T144 WeakPolarHBondContact OH-CG2 3.49Å; Y99-T144 HydrophobicContact CD1-CG2 4.08Å; R101-T144 HydrophobicContact CG-CG2 4.5Å; R101-T144 PolarHBondContact NE-OG1 2.89Å; V134-T144 PolarHBondContact N-O 2.83Å; L137-T144 HydrophobicContact CB-CG2 3.74Å; L137-T144 PolarHBondContact O-OG1 3.1Å
145F93Very high86.4Confident0 Ų053.2 Ų53.20%028%0.276CS..EExtended strand (participates in β ladder)trans-127.1140.3-178.4-54.1-85.5000110.1L71 Y99 F100 I102 L119 I132 N133L71-F145 HydrophobicContact CD1-CE1 3.95Å; L71-F145 HydrophobicContact CD2-CE1 4.23Å; L71-F145 HydrophobicContact CD2-CZ 4.23Å; Y99-F145 CarbonylContact C-O 3.58Å; Y99-F145 WeakPolarHBondContact CA-O 3.25Å; Y99-F145 WeakPolarHBondContact CB-O 3.37Å; F100-F145 HydrophobicContact CD1-CB 4.39Å; F100-F145 HydrophobicContact CD2-CB 4.38Å; F100-F145 HydrophobicContact CD2-CD2 4.03Å; F100-F145 HydrophobicContact CE1-CB 3.9Å; F100-F145 HydrophobicContact CE2-CB 3.89Å; F100-F145 AromaticContact CE2-CD2 3.6Å; F100-F145 HydrophobicContact CE2-CD2 3.6Å; F100-F145 HydrophobicContact CE2-CE2 4.47Å; F100-F145 AromaticContact CE2-CG 3.95Å; F100-F145 HydrophobicContact CE2-CG 3.95Å; F100-F145 HydrophobicContact CZ-CB 3.63Å; F100-F145 HydrophobicContact CZ-CD2 4.17Å; F100-F145 HydrophobicContact CZ-CG 4.04Å; F100-F145 PolarHBondContact N-O 3.11Å; F100-F145 PolarHBondContact O-N 3.15Å; I102-F145 HydrophobicContact CB-CE2 4.11Å; I102-F145 HydrophobicContact CD1-CE2 4.19Å; I102-F145 HydrophobicContact CG1-CD2 4.41Å; I102-F145 HydrophobicContact CG1-CE2 4.06Å; L119-F145 HydrophobicContact CB-CD1 3.66Å; L119-F145 HydrophobicContact CB-CE1 3.63Å; L119-F145 HydrophobicContact CB-CG 4.4Å; L119-F145 HydrophobicContact CB-CZ 4.31Å; L119-F145 HydrophobicContact CD1-CE1 4.03Å; L119-F145 HydrophobicContact CD1-CZ 3.9Å; L119-F145 HydrophobicContact CD2-CD1 3.98Å; L119-F145 HydrophobicContact CD2-CD2 3.9Å; L119-F145 HydrophobicContact CD2-CE1 4.01Å; L119-F145 HydrophobicContact CD2-CE2 3.91Å; L119-F145 HydrophobicContact CD2-CG 3.94Å; L119-F145 HydrophobicContact CD2-CZ 3.96Å; L119-F145 HydrophobicContact CG-CD1 4.32Å; L119-F145 HydrophobicContact CG-CE1 4.09Å; L119-F145 HydrophobicContact CG-CZ 4.28Å; I132-F145 CarbonylContact O-C 3.58Å; I132-F145 WeakPolarHBondContact O-CA 3.23Å; N133-F145 HydrophobicContact CB-CD1 4.07Å; N133-F145 HydrophobicContact CB-CE1 3.93Å
146I92.7Very high86Confident4 Ų453.6 Ų53.62%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-70.4133.1160.1-66.1153.9000107.2D36 V37 Y99 G131 I132 V134D36-I146 HydrophobicContact CB-CD1 3.37Å; V37-I146 HydrophobicContact CG2-CG2 3.85Å; Y99-I146 HydrophobicContact CD1-CG1 3.87Å; Y99-I146 HydrophobicContact CE1-CB 4.45Å; Y99-I146 HydrophobicContact CE1-CD1 4.44Å; Y99-I146 HydrophobicContact CE1-CG1 3.4Å; Y99-I146 VanDerWaalsContact CE1-CG1 3.4Å; G131-I146 CarbonylContact C-O 3.52Å; G131-I146 WeakPolarHBondContact CA-O 3.36Å; I132-I146 PolarHBondContact N-O 3.05Å; I132-I146 PolarHBondContact O-N 3.04Å; V134-I146 HydrophobicContact CG2-CD1 3.39Å; V134-I146 HydrophobicContact CG2-CG1 3.54Å
147E92.2Very high85.4Confident7 Ų757.6 Ų57.63%0.03328%0.277CS..EExtended strand (participates in β ladder)trans-84.9137.3178.8-164.6-87113.200110.2H61 Q98 F100 Y149H61-E147 WeakPolarHBondContact CA-OE1 3.24Å; H61-E147 HydrophobicContact CB-CG 4.11Å; H61-E147 IonicContact CE1-OE2 2.65Å; H61-E147 IonicContact CG-OE2 3.68Å; H61-E147 IonicContact ND1-OE1 3.93Å; H61-E147 IonicContact ND1-OE2 2.88Å; H61-E147 PolarHBondContact ND1-OE2 2.68Å; H61-E147 WeakPolarHBondContact O-CG 3.41Å; Q98-E147 HydrophobicContact CB-CB 3.77Å; Q98-E147 HydrophobicContact CB-CG 4.33Å; Q98-E147 VanDerWaalsContact O-CB 3.29Å; Q98-E147 WeakPolarHBondContact O-CB 3.36Å; Q98-E147 PolarHBondContact O-N 2.6Å; F100-E147 HydrophobicContact CD1-CB 3.98Å; F100-E147 HydrophobicContact CD1-CG 4Å; F100-E147 HydrophobicContact CE1-CB 4.24Å; F100-E147 HydrophobicContact CE1-CG 4.24Å; E147-Y149 WeakPolarHBondContact OE1-CA 3.32Å; E147-Y149 WeakPolarHBondContact OE1-CB 3.49Å; E147-Y149 PolarHBondContact OE1-N 3.36Å
148L91.9Very high84.7Confident6 Ų660.5 Ų60.53%0.03129%0.289CS..  trans-107.1-18-166.9-69.7174.6000115.6V37 P58 L129 Y130 I132 D150 K151 L152V37-L148 HydrophobicContact CG1-CD2 3.93Å; V37-L148 HydrophobicContact CG2-CD2 3.96Å; P58-L148 HydrophobicContact CG-CB 4.29Å; L129-L148 HydrophobicContact CD1-CD1 4.32Å; L129-L148 HydrophobicContact CD2-CD1 3.65Å; L129-L148 HydrophobicContact CG-CD1 3.53Å; Y130-L148 PolarHBondContact O-N 3.2Å; I132-L148 HydrophobicContact CD1-CD1 4.5Å; I132-L148 HydrophobicContact CD1-CD2 3.9Å; I132-L148 HydrophobicContact CG1-CD1 4.08Å; I132-L148 HydrophobicContact CG1-CD2 4.09Å; I132-L148 HydrophobicContact CG1-CG 4.42Å; L148-D150 PolarHBondContact O-N 3.39Å; L148-K151 PolarHBondContact O-N 3.5Å; L148-L152 HydrophobicContact CB-CD1 4.15Å; L148-L152 WeakPolarHBondContact O-CB 3.43Å; L148-L152 WeakPolarHBondContact O-CD1 3.38Å; L148-L152 WeakPolarHBondContact O-CG 3.25Å; L148-L152 PolarHBondContact O-N 3.16Å
149Y91Very high84Confident66 Ų6659.9 Ų59.926%0.25928%0.281SS..Hα-helixtrans-57.1-51.6-177.8-178.1-114.7000111.6P58 R59 H61 E147 K151 L152 N153P58-Y149 WeakPolarHBondContact O-CD2 3.29Å; R59-Y149 WeakPolarHBondContact O-CE2 3.49Å; H61-Y149 AromaticContact CE1-CD1 3.85Å; H61-Y149 AromaticContact ND1-CD1 3.88Å; E147-Y149 WeakPolarHBondContact OE1-CA 3.32Å; E147-Y149 WeakPolarHBondContact OE1-CB 3.49Å; E147-Y149 PolarHBondContact OE1-N 3.36Å; Y149-K151 VanDerWaalsContact C-N 3.35Å; Y149-K151 PolarHBondContact O-N 2.79Å; Y149-L152 PolarHBondContact O-N 2.87Å; Y149-N153 VanDerWaalsContact CE1-ND2 3.28Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.39Å; Y149-N153 VanDerWaalsContact CZ-ND2 3.28Å; Y149-N153 VanDerWaalsContact O-CG 3.27Å; Y149-N153 PolarHBondContact O-N 2.81Å; Y149-N153 PolarHBondContact O-ND2 2.9Å
150D86.1Confident83.3Confident65 Ų6562.4 Ų62.435%0.34829%0.294SS..Hα-helixtrans-64.3-40.1179.4-73.7-16.4000112.2H61 Q98 L148 L152 N153 S154H61-D150 VanDerWaalsContact CE1-CG 3.45Å; H61-D150 IonicContact CE1-OD1 3.02Å; H61-D150 PolarHBondContact CE1-OD1 2.84Å; H61-D150 IonicContact CE1-OD2 3.3Å; H61-D150 PolarHBondContact CE1-OD2 2.74Å; H61-D150 VanDerWaalsContact CE1-OD2 3.3Å; H61-D150 IonicContact ND1-OD1 3.59Å; H61-D150 IonicContact ND1-OD2 3.59Å; Q98-D150 WeakPolarHBondContact CG-OD2 3.37Å; L148-D150 PolarHBondContact O-N 3.39Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.89Å; D150-N153 PolarHBondContact O-N 3.42Å; D150-S154 PolarHBondContact O-N 3.17Å; D150-S154 VanDerWaalsContact O-N 3.09Å
151K84.9Confident82.4Confident15 Ų1555.1 Ų55.17%0.06526%0.264CS..Hα-helixtrans-63.7-39.1176.6-69.7-71.7178.7-165.90111.6P29 T31 D35 V37 N97 L148 Y149 S154P29-K151 HydrophobicContact CG-CD 4.26Å; T31-K151 PolarHBondContact OG1-NZ 3.11Å; D35-K151 IonicContact OD1-NZ 3.97Å; D35-K151 PolarHBondContact OD1-NZ 2.68Å; V37-K151 HydrophobicContact CG2-CG 4.4Å; N97-K151 WeakPolarHBondContact OD1-CE 3.27Å; N97-K151 PolarHBondContact OD1-NZ 3.16Å; L148-K151 PolarHBondContact O-N 3.5Å; Y149-K151 VanDerWaalsContact C-N 3.35Å; Y149-K151 PolarHBondContact O-N 2.79Å; K151-S154 PolarHBondContact O-N 2.74Å; K151-S154 PolarHBondContact O-OG 2.98Å
152L85.9Confident81.2Confident11 Ų1153 Ų536%0.05827%0.272CS..Hα-helixtrans-69.9-41.1177.7-73.9163.6000112F39 L57 P58 L148 Y149 D150 S154 I155 Q156 L161F39-L152 HydrophobicContact CE1-CD2 3.5Å; F39-L152 VanDerWaalsContact CE1-CD2 3.5Å; F39-L152 HydrophobicContact CZ-CD2 3.69Å; F39-L152 HydrophobicContact CZ-CG 4.36Å; L57-L152 HydrophobicContact CB-CD1 4.14Å; L57-L152 HydrophobicContact CD1-CD2 4.1Å; L57-L152 HydrophobicContact CD2-CD1 3.91Å; L57-L152 HydrophobicContact CD2-CD2 4.01Å; L57-L152 HydrophobicContact CG-CD1 4.4Å; P58-L152 HydrophobicContact CG-CD1 3.75Å; L148-L152 HydrophobicContact CB-CD1 4.15Å; L148-L152 WeakPolarHBondContact O-CB 3.43Å; L148-L152 WeakPolarHBondContact O-CD1 3.38Å; L148-L152 WeakPolarHBondContact O-CG 3.25Å; L148-L152 PolarHBondContact O-N 3.16Å; Y149-L152 PolarHBondContact O-N 2.87Å; D150-L152 VanDerWaalsContact C-N 3.33Å; D150-L152 PolarHBondContact O-N 2.89Å; L152-S154 PolarHBondContact O-N 3.46Å; L152-I155 VanDerWaalsContact O-CG1 3.31Å; L152-I155 WeakPolarHBondContact O-CG1 3.46Å; L152-I155 PolarHBondContact O-N 3.18Å; L152-I155 VanDerWaalsContact O-N 3.15Å; L152-Q156 PolarHBondContact O-N 2.93Å; L152-Q156 VanDerWaalsContact O-N 3.11Å; L152-L161 HydrophobicContact CD2-CD1 4.16Å
153N83Confident79.6Confident64 Ų6453 Ų5334%0.34228%0.284SS..Hα-helixtrans-61.5-35.1175.7-67-25.2000111.4Y149 D150 I155Y149-N153 VanDerWaalsContact CE1-ND2 3.28Å; Y149-N153 WeakPolarHBondContact CE1-ND2 3.39Å; Y149-N153 VanDerWaalsContact CZ-ND2 3.28Å; Y149-N153 VanDerWaalsContact O-CG 3.27Å; Y149-N153 PolarHBondContact O-N 2.81Å; Y149-N153 PolarHBondContact O-ND2 2.9Å; D150-N153 PolarHBondContact O-N 3.42Å; N153-I155 PolarHBondContact O-N 2.89Å
154S79.4Confident77.6Confident52 Ų5254.7 Ų54.736%0.36430%0.303SS..THydrogen-bonded Turntrans-68.4-15.5177.967.80000115.3D150 K151 L152D150-S154 PolarHBondContact O-N 3.17Å; D150-S154 VanDerWaalsContact O-N 3.09Å; K151-S154 PolarHBondContact O-N 2.74Å; K151-S154 PolarHBondContact O-OG 2.98Å; L152-S154 PolarHBondContact O-N 3.46Å
155I77.8Confident74.9Confident0 Ų059.1 Ų59.10%033%0.334CS..THydrogen-bonded Turntrans-118.9-2-175.469.4130.5000113.2F27 P29 F39 L152 N153 D157 E158 V159 L161F27-I155 HydrophobicContact CD1-CB 4.48Å; F27-I155 HydrophobicContact CD1-CG2 4.23Å; F27-I155 HydrophobicContact CE1-CB 3.93Å; F27-I155 HydrophobicContact CE1-CG2 3.51Å; P29-I155 HydrophobicContact CB-CG2 3.82Å; P29-I155 HydrophobicContact CG-CG2 3.66Å; F39-I155 HydrophobicContact CD1-CD1 3.62Å; F39-I155 HydrophobicContact CD2-CD1 3.53Å; F39-I155 HydrophobicContact CD2-CG1 4.24Å; F39-I155 HydrophobicContact CD2-CG2 4.32Å; F39-I155 HydrophobicContact CE1-CD1 3.45Å; F39-I155 VanDerWaalsContact CE1-CD1 3.45Å; F39-I155 HydrophobicContact CE1-CG1 4.32Å; F39-I155 HydrophobicContact CE2-CB 4.3Å; F39-I155 HydrophobicContact CE2-CD1 3.34Å; F39-I155 HydrophobicContact CE2-CG1 3.67Å; F39-I155 HydrophobicContact CE2-CG2 3.86Å; F39-I155 HydrophobicContact CG-CD1 3.66Å; F39-I155 HydrophobicContact CZ-CD1 3.3Å; F39-I155 HydrophobicContact CZ-CG1 3.72Å; L152-I155 VanDerWaalsContact O-CG1 3.31Å; L152-I155 WeakPolarHBondContact O-CG1 3.46Å; L152-I155 PolarHBondContact O-N 3.18Å; L152-I155 VanDerWaalsContact O-N 3.15Å; N153-I155 PolarHBondContact O-N 2.89Å; I155-D157 VanDerWaalsContact C-N 3.28Å; I155-D157 PolarHBondContact O-N 3.46Å; I155-E158 PolarHBondContact O-N 3.14Å; I155-E158 VanDerWaalsContact O-N 3.12Å; I155-V159 HydrophobicContact CB-CG2 4.21Å; I155-V159 HydrophobicContact CD1-CB 3.97Å; I155-V159 HydrophobicContact CD1-CG1 4.44Å; I155-V159 HydrophobicContact CD1-CG2 3.65Å; I155-V159 PolarHBondContact O-N 2.75Å; I155-L161 HydrophobicContact CD1-CD1 4.05Å; I155-L161 HydrophobicContact CD1-CG 4.48Å; I155-L161 HydrophobicContact CG1-CD1 4.29Å
156Q76.6Confident72Confident61 Ų6166 Ų6629%0.28537%0.371SS..THydrogen-bonded Turntrans-59.1-41.6-172178.9170.6-700112L152 Q160 L161L152-Q156 PolarHBondContact O-N 2.93Å; L152-Q156 VanDerWaalsContact O-N 3.11Å; Q156-Q160 PolarHBondContact O-N 2.85Å; Q156-L161 HydrophobicContact CB-CD1 4.3Å; Q156-L161 HydrophobicContact CG-CB 4.3Å; Q156-L161 PolarHBondContact O-N 3.04Å
157D72.6Confident69.3Low157 Ų15770.8 Ų70.884%0.8440%0.401SS*.THydrogen-bonded Turntrans-74.4-28.9179.5-62.2-27.6000112.4I155I155-D157 VanDerWaalsContact C-N 3.28Å; I155-D157 PolarHBondContact O-N 3.46Å
158E71.8Confident66.3Low117 Ų11776.2 Ų76.255%0.54744%0.435SS..THydrogen-bonded Turntrans-84.8-36.2-176.4-174.2158.4-171.800112.8F27 I155F27-E158 HydrophobicContact CE1-CG 4.45Å; F27-E158 HydrophobicContact CE2-CG 4Å; F27-E158 WeakPolarHBondContact CE2-OE1 3.37Å; F27-E158 WeakPolarHBondContact CE2-OE2 3.2Å; F27-E158 HydrophobicContact CZ-CB 4.49Å; F27-E158 HydrophobicContact CZ-CG 3.94Å; F27-E158 WeakPolarHBondContact CZ-OE1 3.48Å; F27-E158 WeakPolarHBondContact CZ-OE2 3.35Å; I155-E158 PolarHBondContact O-N 3.14Å; I155-E158 VanDerWaalsContact O-N 3.12Å
159V70.8Confident63.3Low35 Ų3584.7 Ų84.721%0.21247%0.474CS..THydrogen-bonded Turntrans-96.84.6-175.7-176.70000112.2F27 F41 I155 L161F27-V159 HydrophobicContact CD1-CG2 3.87Å; F27-V159 HydrophobicContact CE1-CG2 4.34Å; F27-V159 HydrophobicContact CG-CG2 4.41Å; F41-V159 HydrophobicContact CE1-CG1 4.33Å; F41-V159 HydrophobicContact CZ-CG1 4.02Å; I155-V159 HydrophobicContact CB-CG2 4.21Å; I155-V159 HydrophobicContact CD1-CB 3.97Å; I155-V159 HydrophobicContact CD1-CG1 4.44Å; I155-V159 HydrophobicContact CD1-CG2 3.65Å; I155-V159 PolarHBondContact O-N 2.75Å; V159-L161 HydrophobicContact CB-CD2 4.42Å; V159-L161 HydrophobicContact CB-CG 4.37Å; V159-L161 HydrophobicContact CG1-CD2 4.05Å; V159-L161 PolarHBondContact O-N 2.92Å
160Q69.5Low60.4Low176 Ų17686.4 Ų86.482%0.82250%0.495SS*.THydrogen-bonded Turntrans45.948.3-174.3-61.8-178.816.800111.5Q156Q156-Q160 PolarHBondContact O-N 2.85Å
161L62.8Low57.6Low32 Ų3289.2 Ų89.217%0.16852%0.515CS..  trans-59.1137.4-179.8-68.9178.3000109.2L57 L152 I155 Q156 V159 V163L57-L161 HydrophobicContact CD1-CD1 4.21Å; L57-L161 HydrophobicContact CD1-CD2 4.33Å; L152-L161 HydrophobicContact CD2-CD1 4.16Å; I155-L161 HydrophobicContact CD1-CD1 4.05Å; I155-L161 HydrophobicContact CD1-CG 4.48Å; I155-L161 HydrophobicContact CG1-CD1 4.29Å; Q156-L161 HydrophobicContact CB-CD1 4.3Å; Q156-L161 HydrophobicContact CG-CB 4.3Å; Q156-L161 PolarHBondContact O-N 3.04Å; V159-L161 HydrophobicContact CB-CD2 4.42Å; V159-L161 HydrophobicContact CB-CG 4.37Å; V159-L161 HydrophobicContact CG1-CD2 4.05Å; V159-L161 PolarHBondContact O-N 2.92Å; L161-V163 WeakPolarHBondContact O-CG2 3.38Å; L161-V163 PolarHBondContact O-N 2.86Å
162P56.7Low55Low124 Ų12494.2 Ų94.281%0.80555%0.552SS**  trans-61105.8178.622-30.5000109.4G164P162-G164 PolarHBondContact O-N 2.98Å
163V52.8Low52.3Low104 Ų104101.8 Ų101.863%0.6359%0.591SS**  trans-75.1115.9174.5-168.10000106.5L161 S165L161-V163 WeakPolarHBondContact O-CG2 3.38Å; L161-V163 PolarHBondContact O-N 2.86Å; V163-S165 PolarHBondContact O-N 2.86Å
164G46.5Very low49.9Very low52 Ų52106.8 Ų106.854%0.53661%0.612SS.*  trans-61.6103.7174.600000109.4P162 N166P162-G164 PolarHBondContact O-N 2.98Å; G164-N166 PolarHBondContact O-N 2.8Å; G164-N166 VanDerWaalsContact O-N 3.07Å
165S35.5Very low47.7Very low94 Ų94111.7 Ų111.766%0.65763%0.629SS**  trans-64.8106.5171.846.50000108.7V163 T167V163-S165 PolarHBondContact O-N 2.86Å; S165-T167 PolarHBondContact O-N 3.28Å
166N31.5Very low45.4Very low145 Ų145120 Ų12078%0.77567%0.672SS**  trans-77.966.7161.2-86.1-5.7000108.5G164G164-N166 PolarHBondContact O-N 2.8Å; G164-N166 VanDerWaalsContact O-N 3.07Å
167T35.1Very low43.9Very low104 Ų104129.7 Ų129.764%0.63872%0.717SS**  trans-156.3103.2172.230.80000111S165S165-T167 PolarHBondContact O-N 3.28Å
168T29.8Very low42.4Very low121 Ų121128.3 Ų128.374%0.74271%0.711SS**  trans55.4120.5137.434.40000121.4
169H29.1Very low40.9Very low184 Ų184128.9 Ų128.985%0.85272%0.72SS**  trans68.2111.1149.2-76.1-82.2000119.4
170S30.3Very low39.2Very low101 Ų101134.1 Ų134.171%0.70675%0.748SS**  152.1112.9106-1540000112
171T27Very low37.5Very low124 Ų124131.6 Ų131.676%0.76174%0.744SS**  trans41.2112.4137.8520000120.4
172S31.3Very low35.9Very low121 Ų121137.9 Ų137.985%0.84678%0.78SS**  -169.488.3114.544.20000110.3
173I28.3Very low34.5Very low170 Ų170138.8 Ų138.887%0.87278%0.778SS**  trans-107103.3148.1-69.1-177.8000104.3
174E33.8Very low33.2Very low168 Ų168141.3 Ų141.379%0.78579%0.788SS**  trans-170.8127.8162.9-77.8-153.4155.800104.3
175H32.6Very low32.2Very low156 Ų156148.2 Ų148.272%0.72281%0.808SS**  cis-154.1145.72.3-105.369.9000106.1
176L29.4Very low31.9Very low173 Ų173152.7 Ų152.791%0.90682%0.82SS**  trans-76.3121.9151.4-92101.5000107.1
177E44.4Very low31.9Very low265 Ų265153.4 Ų153.4100%1.23882%0.824SS**  trans-153.70137.9-101.2-172.9147.400108

Retrieved 177 of 177 residues in 169.4 ms (Link to these results)

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