A0A087XWS9_POEFO Loading...

D-aminoacyl-tRNA deacylase

AlphaFold DB , UniProt , Accession A0A087XWS9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 207 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
1M97.1Very high98.6Very high9 Ų934.5 Ų34.54%0.04416%0.16CC..  0141.30-166.5177.3-69.400109.2L31 D37 D41 A42 M45 F105 I109 T146 S147M1-L31 HydrophobicContact CG-CD1 4.14Å; M1-L31 HydrophobicContact SD-CD1 3.94Å; M1-D37 WeakPolarHBondContact CA-OD1 3.44Å; M1-D37 WeakPolarHBondContact CA-OD2 3.07Å; M1-D37 WeakPolarHBondContact CB-OD2 3.27Å; M1-D37 HydrophobicContact CE-CB 4.39Å; M1-D37 VanDerWaalsContact N-CG 3.29Å; M1-D37 PolarHBondContact N-OD1 3.16Å; M1-D37 PolarHBondContact N-OD2 2.87Å; M1-D41 HydrophobicContact CB-CB 4.18Å; M1-D41 HydrophobicContact CE-CB 4.17Å; M1-A42 HydrophobicContact CE-CB 4.08Å; M1-M45 HydrophobicContact CB-CE 4.06Å; M1-M45 HydrophobicContact CG-CE 4.03Å; M1-M45 HydrophobicContact CG-CG 4.46Å; M1-M45 HydrophobicContact SD-CB 3.56Å; M1-M45 VanDerWaalsContact SD-CB 3.56Å; M1-M45 HydrophobicContact SD-CE 4.41Å; M1-M45 HydrophobicContact SD-CG 3.7Å; M1-F105 HydrophobicContact CE-CE1 3.74Å; M1-I109 HydrophobicContact CE-CD1 3.59Å; M1-I109 HydrophobicContact SD-CD1 4.08Å; M1-T146 CarbonylContact O-C 3.48Å; M1-T146 VanDerWaalsContact O-CA 3.31Å; M1-T146 WeakPolarHBondContact O-CA 3.3Å; M1-S147 WeakPolarHBondContact CB-OG 3.31Å; M1-S147 PolarHBondContact N-OG 3.17Å; M1-S147 PolarHBondContact O-N 3.03Å
2R98.3Very high98.6Very high78 Ų7832.9 Ų32.929%0.29416%0.155SC..EExtended strand (participates in β ladder)trans-124.4145.8176.8-67.617876.9-179.410.2110.6G32 L82 E144 L145 T146R2-G32 PolarHBondContact N-O 3.17Å; R2-G32 PolarHBondContact O-N 3.38Å; R2-L82 HydrophobicContact CB-CB 4.34Å; R2-L82 WeakPolarHBondContact CD-O 3.31Å; R2-L82 PolarHBondContact NH1-O 2.99Å; R2-E144 IonicContact CZ-OE1 3.25Å; R2-E144 VanDerWaalsContact CZ-OE1 3.25Å; R2-E144 IonicContact NE-OE1 3Å; R2-E144 PolarHBondContact NE-OE1 3.13Å; R2-E144 IonicContact NH2-OE1 2.67Å; R2-E144 PolarHBondContact NH2-OE1 3.09Å; R2-E144 IonicContact NH2-OE2 3.86Å; R2-L145 CarbonylContact C-O 3.57Å; R2-L145 WeakPolarHBondContact CA-O 3.27Å; R2-T146 HydrophobicContact CG-CG2 4.13Å
3A98.6Very high98.6Very high0 Ų030.4 Ų30.40%014%0.143CC..EExtended strand (participates in β ladder)trans-140139.517300000110.9V29 L30 L31 M45 E144 L145A3-V29 HydrophobicContact CB-CG1 4.19Å; A3-L30 CarbonylContact C-O 3.55Å; A3-L30 VanDerWaalsContact CA-O 3.23Å; A3-L30 WeakPolarHBondContact CA-O 3.19Å; A3-L31 HydrophobicContact CB-CD1 3.9Å; A3-M45 HydrophobicContact CB-CE 4.15Å; A3-M45 HydrophobicContact CB-SD 3.82Å; A3-E144 WeakPolarHBondContact O-CA 3.09Å; A3-L145 HydrophobicContact CB-CB 4.48Å; A3-L145 PolarHBondContact N-O 3.43Å; A3-L145 PolarHBondContact O-N 3.41Å
4I98.8Very high98.6Very high35 Ų3530.1 Ų30.118%0.17914%0.144CC..EExtended strand (participates in β ladder)trans-106.3116.2164.5-58.1-61.8000107.4Q6 V29 L30 L82 T142 E144I4-Q6 HydrophobicContact CG2-CG 4.37Å; I4-V29 WeakPolarHBondContact O-CA 3.46Å; I4-L30 HydrophobicContact CB-CB 4.33Å; I4-L30 PolarHBondContact N-O 2.8Å; I4-L30 PolarHBondContact O-N 3.46Å; I4-L82 HydrophobicContact CG1-CD1 4.01Å; I4-L82 HydrophobicContact CG1-CD2 3.67Å; I4-T142 HydrophobicContact CG2-CG2 3.69Å; I4-E144 HydrophobicContact CD1-CB 3.76Å; I4-E144 HydrophobicContact CD1-CG 3.85Å
5I98.8Very high98.5Very high1 Ų130.2 Ų30.21%0.00515%0.148CC..EExtended strand (participates in β ladder)trans-105.2127.5-179.4-55.7170.4000108I27 V29 I49 L52 L54 T142 V143 L145I5-I27 HydrophobicContact CG2-CB 4.05Å; I5-I27 HydrophobicContact CG2-CD1 4.18Å; I5-I27 HydrophobicContact CG2-CG2 4.17Å; I5-V29 HydrophobicContact CG1-CG1 4.35Å; I5-V29 HydrophobicContact CG1-CG2 4.31Å; I5-V29 HydrophobicContact CG2-CG2 4.44Å; I5-I49 HydrophobicContact CD1-CB 4.45Å; I5-I49 HydrophobicContact CD1-CG1 3.79Å; I5-I49 HydrophobicContact CG1-CG1 4.44Å; I5-L52 HydrophobicContact CD1-CD2 3.64Å; I5-L52 HydrophobicContact CG2-CD2 4.46Å; I5-L54 HydrophobicContact CG2-CD1 3.82Å; I5-T142 CarbonylContact O-C 3.54Å; I5-T142 WeakPolarHBondContact O-CA 3.41Å; I5-V143 PolarHBondContact N-O 3.16Å; I5-V143 PolarHBondContact O-N 2.92Å; I5-L145 HydrophobicContact CD1-CD1 3.46Å; I5-L145 VanDerWaalsContact CD1-CD1 3.46Å; I5-L145 HydrophobicContact CD1-CG 3.79Å
6Q98.9Very high98.3Very high35 Ų3532.6 Ų32.616%0.16418%0.182CC..EExtended strand (participates in β ladder)trans-120.1129.7176.4-66.6-179.786.100109.1I4 V8 I27 C28 I135 N137 V141 T142I4-Q6 HydrophobicContact CG2-CG 4.37Å; Q6-V8 HydrophobicContact CB-CG1 4.49Å; Q6-I27 CarbonylContact O-C 3.55Å; Q6-I27 VanDerWaalsContact O-CA 3.27Å; Q6-I27 WeakPolarHBondContact O-CA 3.21Å; Q6-C28 PolarHBondContact N-O 2.93Å; Q6-C28 PolarHBondContact O-N 3.46Å; Q6-I135 HydrophobicContact CB-CG2 4.32Å; Q6-N137 PolarHBondContact OE1-ND2 2.85Å; Q6-V141 WeakPolarHBondContact CA-O 3.22Å; Q6-T142 HydrophobicContact CG-CG2 3.95Å
7R98.8Very high98.1Very high33 Ų3342.4 Ų42.413%0.12523%0.226CC..EExtended strand (participates in β ladder)trans-71136.7168.6-164.217570.8167.817.9108.1L54 F55 N137 D138 V141R7-L54 VanDerWaalsContact CD-O 3.26Å; R7-L54 WeakPolarHBondContact CD-O 3.48Å; R7-L54 PolarHBondContact NH1-O 3.07Å; R7-F55 HydrophobicContact CG-CD1 4.23Å; R7-F55 HydrophobicContact CG-CE1 3.55Å; R7-F55 HydrophobicContact CG-CZ 3.93Å; R7-N137 CarbonylContact O-C 3.54Å; R7-N137 WeakPolarHBondContact O-CA 3.41Å; R7-N137 PolarHBondContact O-OD1 3.41Å; R7-D138 HydrophobicContact CB-CB 4.37Å; R7-D138 HydrophobicContact CG-CB 4.12Å; R7-D138 IonicContact CZ-OD1 3.66Å; R7-D138 IonicContact CZ-OD2 3.81Å; R7-D138 PolarHBondContact NE-O 2.82Å; R7-D138 IonicContact NE-OD1 3.69Å; R7-D138 IonicContact NE-OD2 3.43Å; R7-D138 PolarHBondContact NE-OD2 3.38Å; R7-D138 PolarHBondContact NH2-O 3.43Å; R7-D138 VanDerWaalsContact NH2-O 3.16Å; R7-D138 IonicContact NH2-OD1 2.87Å; R7-D138 PolarHBondContact NH2-OD1 2.66Å; R7-D138 IonicContact NH2-OD2 3.72Å; R7-D138 PolarHBondContact O-N 2.72Å; R7-V141 HydrophobicContact CB-CB 3.88Å; R7-V141 HydrophobicContact CB-CG1 4.28Å; R7-V141 PolarHBondContact N-O 2.91Å
8V98.9Very high98Very high0 Ų047.1 Ų47.10%025%0.247CC..EExtended strand (participates in β ladder)trans-135.4148-176.2-62.10000112.7Q6 A11 I23 Q25 G26 C28 I135 Q136Q6-V8 HydrophobicContact CB-CG1 4.49Å; V8-A11 HydrophobicContact CG1-CB 4.38Å; V8-A11 HydrophobicContact CG2-CB 4.17Å; V8-I23 HydrophobicContact CG2-CD1 3.71Å; V8-I23 HydrophobicContact CG2-CG1 4.46Å; V8-Q25 WeakPolarHBondContact O-CA 3.45Å; V8-G26 PolarHBondContact N-O 3.23Å; V8-G26 PolarHBondContact O-N 2.96Å; V8-C28 HydrophobicContact CG1-CB 3.94Å; V8-I135 HydrophobicContact CG1-CG2 3.59Å; V8-Q136 VanDerWaalsContact CA-O 3.3Å; V8-Q136 WeakPolarHBondContact CA-O 3.41Å; V8-Q136 WeakPolarHBondContact CB-O 3.31Å
9T98.7Very high98Very high61 Ų6150.5 Ų50.537%0.37426%0.261SS..EExtended strand (participates in β ladder)trans-81.9-29.5164.651.50000111.6G24 Q25 Q136 D138T9-G24 CarbonylContact O-C 3.49Å; T9-Q25 PolarHBondContact O-N 2.92Å; T9-Q136 PolarHBondContact N-O 2.83Å; T9-Q136 VanDerWaalsContact OG1-CD 3.29Å; T9-Q136 VanDerWaalsContact OG1-CG 3.3Å; T9-Q136 WeakPolarHBondContact OG1-CG 3.36Å; T9-Q136 PolarHBondContact OG1-O 3.11Å; T9-D138 HydrophobicContact CG2-CB 3.97Å
10K98.6Very high98Very high124 Ų12450.5 Ų50.554%0.53926%0.263SS..EExtended strand (participates in β ladder)trans-161.8155.2166.655173.5175.6173.50111I23 G24 Q136K10-I23 WeakPolarHBondContact CA-O 3Å; K10-I23 WeakPolarHBondContact CB-O 3.34Å; K10-G24 WeakPolarHBondContact CA-O 3.35Å; K10-Q136 HydrophobicContact CG-CB 3.98Å; K10-Q136 WeakPolarHBondContact O-CB 3.49Å; K10-Q136 PolarHBondContact O-N 3.43Å
11A98.8Very high98Very high4 Ų448.7 Ų48.73%0.03326%0.255CS..EExtended strand (participates in β ladder)trans-146.8153.7168.500000111.5V8 S22 I23 C28 L75 N134V8-A11 HydrophobicContact CG1-CB 4.38Å; V8-A11 HydrophobicContact CG2-CB 4.17Å; A11-S22 CarbonylContact O-C 3.18Å; A11-S22 WeakPolarHBondContact O-CA 3.46Å; A11-I23 HydrophobicContact CB-CD1 4.2Å; A11-I23 HydrophobicContact CB-CG1 3.87Å; A11-I23 PolarHBondContact N-O 2.98Å; A11-I23 VanDerWaalsContact N-O 3.08Å; A11-I23 PolarHBondContact O-N 3.39Å; A11-C28 HydrophobicContact CB-CB 4.21Å; A11-L75 HydrophobicContact CB-CD2 3.68Å; A11-N134 CarbonylContact C-O 3.55Å; A11-N134 WeakPolarHBondContact CA-O 3.29Å; A11-N134 WeakPolarHBondContact CB-O 3.31Å
12S98.7Very high98Very high15 Ų1551 Ų5111%0.10527%0.272CS..EExtended strand (participates in β ladder)trans-147.1160.1176.873.20000113S21 V133 N134S12-S21 CarbonylContact C-O 3.54Å; S12-S21 WeakPolarHBondContact CA-O 3.27Å; S12-S21 WeakPolarHBondContact CB-O 3.05Å; S12-V133 CarbonylContact O-C 3.48Å; S12-V133 WeakPolarHBondContact O-CA 3.36Å; S12-N134 PolarHBondContact N-O 3.04Å; S12-N134 PolarHBondContact O-N 2.86Å; S12-N134 PolarHBondContact OG-ND2 2.73Å
13V98.6Very high98.1Very high0 Ų047.7 Ų47.70%026%0.26CS..EExtended strand (participates in β ladder)trans-121.4126.7173.1-175.90000109Q19 V20 S21 L75 V77 M131 Q132 V133V13-Q19 CarbonylContact O-C 3.6Å; V13-V20 HydrophobicContact CB-CG2 3.95Å; V13-V20 HydrophobicContact CG1-CG2 3.75Å; V13-V20 WeakPolarHBondContact O-CG2 3.44Å; V13-V20 PolarHBondContact O-N 3.14Å; V13-S21 PolarHBondContact N-O 3.4Å; V13-S21 PolarHBondContact O-N 3.19Å; V13-L75 HydrophobicContact CG2-CD1 3.94Å; V13-L75 HydrophobicContact CG2-CD2 3.97Å; V13-L75 HydrophobicContact CG2-CG 4.39Å; V13-V77 HydrophobicContact CG2-CG2 3.96Å; V13-M131 HydrophobicContact CG1-CB 3.89Å; V13-M131 HydrophobicContact CG1-CG 3.62Å; V13-M131 HydrophobicContact CG1-SD 3.63Å; V13-Q132 WeakPolarHBondContact CA-O 3.4Å; V13-V133 HydrophobicContact CG2-CG1 4.41Å; V13-V133 HydrophobicContact CG2-CG2 4.47Å
14T98.5Very high98.1Very high26 Ų2649.1 Ų49.116%0.1628%0.275CS..EExtended strand (participates in β ladder)trans-117.7137.6173.9-54.60000109.5G16 E18 M131 Q132T14-G16 WeakPolarHBondContact CG2-O 3.25Å; T14-E18 CarbonylContact C-O 3.6Å; T14-E18 VanDerWaalsContact CA-O 3.27Å; T14-E18 WeakPolarHBondContact CA-O 3.5Å; T14-E18 WeakPolarHBondContact CG2-O 3.44Å; T14-M131 WeakPolarHBondContact O-CA 3.49Å; T14-Q132 PolarHBondContact N-O 2.95Å; T14-Q132 PolarHBondContact O-N 3.09Å
15V97.4Very high98Very high32 Ų3251.4 Ų51.419%0.19429%0.285CS..EExtended strand (participates in β ladder)trans-122.3112.6175.2178.40000108.1E17 E18 V20 K126 A129 M131V15-E17 PolarHBondContact O-N 3.03Å; V15-E18 PolarHBondContact N-O 3.23Å; V15-E18 PolarHBondContact O-N 3.41Å; V15-V20 HydrophobicContact CB-CG1 4.17Å; V15-V20 HydrophobicContact CG2-CG1 4.11Å; V15-V20 HydrophobicContact CG2-CG2 4.07Å; V15-K126 HydrophobicContact CG1-CD 4.45Å; V15-K126 HydrophobicContact CG2-CB 4.09Å; V15-K126 HydrophobicContact CG2-CD 4.1Å; V15-A129 HydrophobicContact CG1-CB 4.01Å; V15-A129 HydrophobicContact CG2-CB 4.07Å; V15-M131 HydrophobicContact CG2-CG 3.86Å
16G95.5Very high98Very high68 Ų6851.3 Ų51.370%0.70129%0.285SS*.THydrogen-bonded Turntrans63.7-117.1-164.500000110T14T14-G16 WeakPolarHBondContact CG2-O 3.25Å
17E94.8Very high98Very high199 Ų19949.8 Ų49.893%0.9328%0.278SS*.THydrogen-bonded Turntrans-102.7-8.5177.2-61.1-179.4172.600112.9V15V15-E17 PolarHBondContact O-N 3.03Å
18E96.8Very high98Very high127 Ų12748.2 Ų48.259%0.59327%0.272SS*.EExtended strand (participates in β ladder)trans-89.8121.7-175.3-173-173.2-177.800111.4T14 V15 V20T14-E18 CarbonylContact C-O 3.6Å; T14-E18 VanDerWaalsContact CA-O 3.27Å; T14-E18 WeakPolarHBondContact CA-O 3.5Å; T14-E18 WeakPolarHBondContact CG2-O 3.44Å; V15-E18 PolarHBondContact N-O 3.23Å; V15-E18 PolarHBondContact O-N 3.41Å; E18-V20 HydrophobicContact CG-CG1 4.34Å; E18-V20 PolarHBondContact O-N 3.43Å
19Q97.6Very high98Very high112 Ų11248.2 Ų48.252%0.52327%0.272SS..EExtended strand (participates in β ladder)trans-76.3100.9169-172.5-176.1-89.300109.6V13 S22V13-Q19 CarbonylContact O-C 3.6Å; Q19-S22 PolarHBondContact NE2-OG 3.37Å
20V97.4Very high98.1Very high50 Ų5046.7 Ų46.730%0.30326%0.261SS..EExtended strand (participates in β ladder)trans-79.2-19.4-178.2-60.30000113.1V13 V15 E18 K126V13-V20 HydrophobicContact CB-CG2 3.95Å; V13-V20 HydrophobicContact CG1-CG2 3.75Å; V13-V20 WeakPolarHBondContact O-CG2 3.44Å; V13-V20 PolarHBondContact O-N 3.14Å; V15-V20 HydrophobicContact CB-CG1 4.17Å; V15-V20 HydrophobicContact CG2-CG1 4.11Å; V15-V20 HydrophobicContact CG2-CG2 4.07Å; E18-V20 HydrophobicContact CG-CG1 4.34Å; E18-V20 PolarHBondContact O-N 3.43Å; V20-K126 HydrophobicContact CG1-CD 4.47Å; V20-K126 HydrophobicContact CG2-CB 4.48Å
21S97.7Very high98.1Very high14 Ų1440.9 Ų40.910%0.09824%0.236CC..EExtended strand (participates in β ladder)trans-162.3148-172.8-173.80000112.6S12 V13 L75 K123 D124S12-S21 CarbonylContact C-O 3.54Å; S12-S21 WeakPolarHBondContact CA-O 3.27Å; S12-S21 WeakPolarHBondContact CB-O 3.05Å; V13-S21 PolarHBondContact N-O 3.4Å; V13-S21 PolarHBondContact O-N 3.19Å; S21-L75 WeakPolarHBondContact OG-CD1 3.42Å; S21-K123 WeakPolarHBondContact OG-CB 3.18Å; S21-D124 WeakPolarHBondContact CB-O 3.36Å; S21-D124 PolarHBondContact OG-O 3Å
22S98.4Very high98Very high56 Ų5640.7 Ų40.739%0.39223%0.234SC..EExtended strand (participates in β ladder)trans-157.5149.9174.257.80000112.4A11 Q19A11-S22 CarbonylContact O-C 3.18Å; A11-S22 WeakPolarHBondContact O-CA 3.46Å; Q19-S22 PolarHBondContact NE2-OG 3.37Å
23I98.8Very high98Very high9 Ų940.5 Ų40.55%0.04623%0.232CC..EExtended strand (participates in β ladder)trans-129.5152.1169.960.9163.6000111.1V8 K10 A11 I27 E73 L75 K123V8-I23 HydrophobicContact CG2-CD1 3.71Å; V8-I23 HydrophobicContact CG2-CG1 4.46Å; K10-I23 WeakPolarHBondContact CA-O 3Å; K10-I23 WeakPolarHBondContact CB-O 3.34Å; A11-I23 HydrophobicContact CB-CD1 4.2Å; A11-I23 HydrophobicContact CB-CG1 3.87Å; A11-I23 PolarHBondContact N-O 2.98Å; A11-I23 VanDerWaalsContact N-O 3.08Å; A11-I23 PolarHBondContact O-N 3.39Å; I23-I27 WeakPolarHBondContact CD1-O 3.29Å; I23-E73 WeakPolarHBondContact CA-OE2 3.41Å; I23-E73 HydrophobicContact CB-CB 3.71Å; I23-E73 HydrophobicContact CB-CG 4.46Å; I23-E73 HydrophobicContact CD1-CB 4.5Å; I23-E73 HydrophobicContact CG2-CB 3.62Å; I23-E73 HydrophobicContact CG2-CG 4.36Å; I23-L75 HydrophobicContact CD1-CB 3.63Å; I23-L75 HydrophobicContact CG1-CB 3.86Å; I23-L75 HydrophobicContact CG2-CB 4.02Å; I23-K123 HydrophobicContact CG2-CB 4.03Å; I23-K123 HydrophobicContact CG2-CG 3.32Å
24G98.7Very high98Very high30 Ų3041.3 Ų41.331%0.30924%0.238SC..SBendtrans-79.7-137.5162.200000111.8T9 K10 G26 E73T9-G24 CarbonylContact O-C 3.49Å; K10-G24 WeakPolarHBondContact CA-O 3.35Å; G24-G26 PolarHBondContact O-N 3.39Å; G24-E73 PolarHBondContact N-OE2 3.33Å
25Q98.6Very high97.9Very high83 Ų8342.5 Ų42.539%0.38825%0.25SS..SBendtrans-65.6136.7-179.7-168.5-178.72900110.7V8 T9 L72 E73V8-Q25 WeakPolarHBondContact O-CA 3.45Å; T9-Q25 PolarHBondContact O-N 2.92Å; Q25-L72 HydrophobicContact CB-CD2 4.04Å; Q25-L72 HydrophobicContact CG-CD1 4.08Å; Q25-L72 HydrophobicContact CG-CD2 4.24Å; Q25-E73 PolarHBondContact O-N 2.8Å
26G98.8Very high97.8Very high0 Ų047.8 Ų47.80%028%0.277CS..EExtended strand (participates in β ladder)trans162.9-141.8-176.300000113.6V8 G24 E73V8-G26 PolarHBondContact N-O 3.23Å; V8-G26 PolarHBondContact O-N 2.96Å; G24-G26 PolarHBondContact O-N 3.39Å; G26-E73 CarbonylContact C-O 3.59Å; G26-E73 WeakPolarHBondContact CA-O 2.91Å
27I98.9Very high97.9Very high3 Ų345.3 Ų45.32%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-127.7139.1176.761.7176.5000112.1I5 Q6 I23 V29 I49 L54 F55 V67 E73 V74 L75I5-I27 HydrophobicContact CG2-CB 4.05Å; I5-I27 HydrophobicContact CG2-CD1 4.18Å; I5-I27 HydrophobicContact CG2-CG2 4.17Å; Q6-I27 CarbonylContact O-C 3.55Å; Q6-I27 VanDerWaalsContact O-CA 3.27Å; Q6-I27 WeakPolarHBondContact O-CA 3.21Å; I23-I27 WeakPolarHBondContact CD1-O 3.29Å; I27-V29 HydrophobicContact CD1-CG2 3.95Å; I27-V29 HydrophobicContact CG1-CG2 4.14Å; I27-I49 HydrophobicContact CD1-CG2 3.7Å; I27-L54 HydrophobicContact CG2-CD1 3.93Å; I27-F55 HydrophobicContact CG2-CE2 4.13Å; I27-F55 HydrophobicContact CG2-CZ 3.93Å; I27-V67 HydrophobicContact CD1-CB 4.22Å; I27-V67 HydrophobicContact CD1-CG1 4.02Å; I27-V67 HydrophobicContact CD1-CG2 4.45Å; I27-V67 HydrophobicContact CG1-CB 4.43Å; I27-V67 HydrophobicContact CG1-CG2 4.17Å; I27-E73 PolarHBondContact N-O 2.83Å; I27-V74 HydrophobicContact CD1-CG1 4.34Å; I27-V74 HydrophobicContact CD1-CG2 4.09Å; I27-V74 HydrophobicContact CG1-CB 4.28Å; I27-V74 HydrophobicContact CG1-CG1 4.1Å; I27-V74 HydrophobicContact CG1-CG2 3.9Å; I27-V74 WeakPolarHBondContact O-CA 3.36Å; I27-L75 PolarHBondContact O-N 2.93Å
28C98.9Very high97.9Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-99.9127.5164.7-172.10000108.8Q6 V8 A11 L75 I135Q6-C28 PolarHBondContact N-O 2.93Å; Q6-C28 PolarHBondContact O-N 3.46Å; V8-C28 HydrophobicContact CG1-CB 3.94Å; A11-C28 HydrophobicContact CB-CB 4.21Å; C28-L75 CarbonylContact C-O 3.57Å; C28-L75 WeakPolarHBondContact CA-O 3.48Å; C28-I135 HydrophobicContact CB-CD1 4.45Å; C28-I135 HydrophobicContact CB-CG2 4.26Å
29V98.9Very high97.9Very high0 Ų037.1 Ų37.10%021%0.214CC..EExtended strand (participates in β ladder)trans-118.5113.7-176.7-175.50000109.3A3 I4 I5 I27 L31 I49 V74 L75 C76 V77A3-V29 HydrophobicContact CB-CG1 4.19Å; I4-V29 WeakPolarHBondContact O-CA 3.46Å; I5-V29 HydrophobicContact CG1-CG1 4.35Å; I5-V29 HydrophobicContact CG1-CG2 4.31Å; I5-V29 HydrophobicContact CG2-CG2 4.44Å; I27-V29 HydrophobicContact CD1-CG2 3.95Å; I27-V29 HydrophobicContact CG1-CG2 4.14Å; V29-L31 HydrophobicContact CG1-CB 4.46Å; V29-I49 HydrophobicContact CG1-CD1 3.89Å; V29-I49 HydrophobicContact CG2-CG2 3.97Å; V29-V74 HydrophobicContact CG2-CG1 4.15Å; V29-L75 PolarHBondContact N-O 2.85Å; V29-C76 CarbonylContact O-C 3.54Å; V29-C76 WeakPolarHBondContact O-CA 3.36Å; V29-V77 PolarHBondContact O-N 3.28Å
30L98.9Very high97.8Very high28 Ų2839.5 Ų39.515%0.14722%0.218CC..EExtended strand (participates in β ladder)trans-89.2117.4166.7-56-179.3000107.7A3 I4 V77 Q79 L82A3-L30 CarbonylContact C-O 3.55Å; A3-L30 VanDerWaalsContact CA-O 3.23Å; A3-L30 WeakPolarHBondContact CA-O 3.19Å; I4-L30 HydrophobicContact CB-CB 4.33Å; I4-L30 PolarHBondContact N-O 2.8Å; I4-L30 PolarHBondContact O-N 3.46Å; L30-V77 HydrophobicContact CD2-CB 4.16Å; L30-Q79 HydrophobicContact CB-CB 3.88Å; L30-Q79 HydrophobicContact CB-CG 4.14Å; L30-L82 HydrophobicContact CB-CD1 4.18Å; L30-L82 WeakPolarHBondContact O-CD1 3.46Å
31L98.7Very high97.8Very high2 Ų238 Ų381%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-116116-169.9-173.266.8000112.1M1 A3 V29 M45 V77 Q79 Y106 I109M1-L31 HydrophobicContact CG-CD1 4.14Å; M1-L31 HydrophobicContact SD-CD1 3.94Å; A3-L31 HydrophobicContact CB-CD1 3.9Å; V29-L31 HydrophobicContact CG1-CB 4.46Å; L31-M45 HydrophobicContact CD1-CG 3.97Å; L31-V77 PolarHBondContact N-O 3.06Å; L31-Q79 PolarHBondContact O-N 2.7Å; L31-Y106 HydrophobicContact CD2-CD2 4.08Å; L31-Y106 HydrophobicContact CD2-CE2 4.09Å; L31-I109 HydrophobicContact CD2-CD1 3.99Å; L31-I109 HydrophobicContact CD2-CG2 3.83Å
32G98.3Very high97.9Very high0 Ų037.3 Ų37.30%020%0.204CC..EExtended strand (participates in β ladder)trans-106.8118.8179.100000112.4R2 Q79 Q83R2-G32 PolarHBondContact N-O 3.17Å; R2-G32 PolarHBondContact O-N 3.38Å; G32-Q79 WeakPolarHBondContact CA-O 3.38Å; G32-Q83 PolarHBondContact O-NE2 3.38Å
33I98.4Very high97.8Very high12 Ų1240.1 Ų40.16%0.06221%0.211CC..  trans-97.2125.2179-54164.8000109.1D37 M97 F105 Y106 I109I33-D37 WeakPolarHBondContact CA-OD2 3.43Å; I33-D37 HydrophobicContact CG2-CB 3.92Å; I33-M97 HydrophobicContact CB-CB 4.37Å; I33-M97 HydrophobicContact CG2-CB 3.92Å; I33-M97 HydrophobicContact CG2-CE 3.68Å; I33-M97 HydrophobicContact CG2-CG 4.5Å; I33-M97 HydrophobicContact CG2-SD 3.8Å; I33-M97 PolarHBondContact O-N 3.18Å; I33-F105 HydrophobicContact CD1-CD1 4.03Å; I33-F105 HydrophobicContact CG2-CD1 3.97Å; I33-F105 HydrophobicContact CG2-CE1 4.1Å; I33-Y106 HydrophobicContact CD1-CD2 4.36Å; I33-I109 HydrophobicContact CD1-CD1 4.06Å; I33-I109 HydrophobicContact CG1-CD1 4.29Å
34S97.6Very high97.8Very high17 Ų1742.4 Ų42.412%0.11922%0.219CC..BIsolated β-bridgetrans-83.6153.5175-1740000111.1D36 D37 A95 M97S34-D36 PolarHBondContact O-N 3.46Å; S34-D37 PolarHBondContact N-OD2 3.38Å; S34-D37 WeakPolarHBondContact O-CB 3.48Å; S34-D37 PolarHBondContact O-N 3.02Å; S34-A95 CarbonylContact C-O 3.51Å; S34-A95 VanDerWaalsContact CA-O 3.23Å; S34-A95 WeakPolarHBondContact CA-O 3.32Å; S34-A95 PolarHBondContact OG-O 3.31Å; S34-A95 VanDerWaalsContact OG-O 3.06Å; S34-M97 WeakPolarHBondContact O-CE 3.24Å
35A96.5Very high97.8Very high51 Ų5141 Ų4142%0.42121%0.205SC..THydrogen-bonded Turntrans-58-28.4174.700000113.2A95A35-A95 PolarHBondContact N-O 3.12Å
36D95.4Very high97.8Very high142 Ų14237.4 Ų37.476%0.75919%0.189SC*.THydrogen-bonded Turntrans-88.71.8178.6-58-43.8000114.1S34S34-D36 PolarHBondContact O-N 3.46Å
37D96.9Very high97.8Very high16 Ų1643.9 Ų43.99%0.08621%0.213CC..  trans-71.9134.2-174.9-78.3-16.7000112.9M1 I33 S34 D41 M97 F105M1-D37 WeakPolarHBondContact CA-OD1 3.44Å; M1-D37 WeakPolarHBondContact CA-OD2 3.07Å; M1-D37 WeakPolarHBondContact CB-OD2 3.27Å; M1-D37 HydrophobicContact CE-CB 4.39Å; M1-D37 VanDerWaalsContact N-CG 3.29Å; M1-D37 PolarHBondContact N-OD1 3.16Å; M1-D37 PolarHBondContact N-OD2 2.87Å; I33-D37 WeakPolarHBondContact CA-OD2 3.43Å; I33-D37 HydrophobicContact CG2-CB 3.92Å; S34-D37 PolarHBondContact N-OD2 3.38Å; S34-D37 WeakPolarHBondContact O-CB 3.48Å; S34-D37 PolarHBondContact O-N 3.02Å; D37-D41 HydrophobicContact CB-CB 4.49Å; D37-M97 HydrophobicContact CB-CE 4.5Å; D37-F105 HydrophobicContact CB-CE1 4.47Å; D37-F105 HydrophobicContact CB-CZ 4.27Å
38T96.6Very high97.8Very high70 Ų7047.7 Ų47.743%0.42923%0.229SC..  trans-111.5167.9-177.972.30000112R40 D41 A42T38-R40 PolarHBondContact O-N 3.2Å; T38-R40 VanDerWaalsContact O-N 3.1Å; T38-R40 PolarHBondContact OG1-N 3.24Å; T38-D41 WeakPolarHBondContact CB-OD2 3.5Å; T38-D41 PolarHBondContact N-OD2 3.33Å; T38-D41 WeakPolarHBondContact O-CA 3.33Å; T38-D41 VanDerWaalsContact O-CB 3.31Å; T38-D41 WeakPolarHBondContact O-CB 3.31Å; T38-D41 PolarHBondContact O-N 3.44Å; T38-D41 PolarHBondContact OG1-OD2 3.28Å; T38-A42 PolarHBondContact O-N 2.97Å
39Q95.9Very high97.7Very high84 Ų8447.7 Ų47.739%0.39323%0.229SC..Hα-helixtrans-55.1-29.9173.9-173.758.43700112.6D41 A42 E43Q39-D41 VanDerWaalsContact C-N 3.32Å; Q39-D41 PolarHBondContact O-N 3.45Å; Q39-A42 WeakPolarHBondContact O-CB 3.48Å; Q39-A42 PolarHBondContact O-N 3.18Å; Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 3.46Å
40R96.5Very high97.7Very high162 Ų16247.8 Ų47.861%0.61123%0.23SC*.Hα-helixtrans-66-33.7174.7-179.1-178.4172.8-175.9-3.7112.6T38 Y44T38-R40 PolarHBondContact O-N 3.2Å; T38-R40 VanDerWaalsContact O-N 3.1Å; T38-R40 PolarHBondContact OG1-N 3.24Å; R40-Y44 VanDerWaalsContact O-CB 3.31Å; R40-Y44 WeakPolarHBondContact O-CB 3.42Å; R40-Y44 PolarHBondContact O-N 2.69Å
41D97.6Very high97.7Very high19 Ų1950.6 Ų50.610%0.10225%0.245CC..Hα-helixtrans-69.9-42.1175.2-62.5-82.2000111M1 D37 T38 Q39 Y44 M45 S147M1-D41 HydrophobicContact CB-CB 4.18Å; M1-D41 HydrophobicContact CE-CB 4.17Å; D37-D41 HydrophobicContact CB-CB 4.49Å; T38-D41 WeakPolarHBondContact CB-OD2 3.5Å; T38-D41 PolarHBondContact N-OD2 3.33Å; T38-D41 WeakPolarHBondContact O-CA 3.33Å; T38-D41 VanDerWaalsContact O-CB 3.31Å; T38-D41 WeakPolarHBondContact O-CB 3.31Å; T38-D41 PolarHBondContact O-N 3.44Å; T38-D41 PolarHBondContact OG1-OD2 3.28Å; Q39-D41 VanDerWaalsContact C-N 3.32Å; Q39-D41 PolarHBondContact O-N 3.45Å; D41-Y44 PolarHBondContact O-N 3.3Å; D41-M45 VanDerWaalsContact O-CB 3.26Å; D41-M45 WeakPolarHBondContact O-CB 3.36Å; D41-M45 PolarHBondContact O-N 2.71Å; D41-S147 WeakPolarHBondContact OD1-CB 3.47Å; D41-S147 PolarHBondContact OD1-OG 3.4Å
42A97.9Very high97.7Very high0 Ų052.3 Ų52.30%025%0.254CS..Hα-helixtrans-58.1-54.2172.100000111.7M1 T38 Q39 Y44 M45 V46 F105 I109M1-A42 HydrophobicContact CE-CB 4.08Å; T38-A42 PolarHBondContact O-N 2.97Å; Q39-A42 WeakPolarHBondContact O-CB 3.48Å; Q39-A42 PolarHBondContact O-N 3.18Å; A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 3.36Å; A42-M45 PolarHBondContact O-N 2.87Å; A42-M45 VanDerWaalsContact O-N 3.09Å; A42-V46 VanDerWaalsContact O-CG2 3.32Å; A42-V46 WeakPolarHBondContact O-CG2 3.34Å; A42-V46 PolarHBondContact O-N 2.73Å; A42-F105 HydrophobicContact CB-CE1 4.26Å; A42-I109 HydrophobicContact CB-CD1 4.27Å; A42-I109 HydrophobicContact CB-CG1 3.69Å
43E97.6Very high97.7Very high115 Ų11559.3 Ų59.354%0.53728%0.28SS..Hα-helixtrans-56.7-42.2176.8-73.1168-16400112.8Q39 R47Q39-E43 WeakPolarHBondContact O-CG 3.33Å; Q39-E43 PolarHBondContact O-N 3.46Å; E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 PolarHBondContact O-N 3.3Å
44Y98.1Very high97.7Very high56 Ų5658.9 Ų58.922%0.2228%0.279CS..Hα-helixtrans-62.1-47.2174.8174.5-86.3000111.3R40 D41 A42 K48 P148R40-Y44 VanDerWaalsContact O-CB 3.31Å; R40-Y44 WeakPolarHBondContact O-CB 3.42Å; R40-Y44 PolarHBondContact O-N 2.69Å; D41-Y44 PolarHBondContact O-N 3.3Å; A42-Y44 VanDerWaalsContact C-N 3.31Å; A42-Y44 PolarHBondContact O-N 3.36Å; Y44-K48 HydrophobicContact CD1-CG 4.11Å; Y44-K48 HydrophobicContact CD2-CG 4.49Å; Y44-K48 HydrophobicContact CE1-CB 4.47Å; Y44-K48 HydrophobicContact CE1-CG 3.69Å; Y44-K48 HydrophobicContact CE2-CG 4.09Å; Y44-K48 HydrophobicContact CG-CG 4.49Å; Y44-K48 VanDerWaalsContact O-CB 3.32Å; Y44-K48 WeakPolarHBondContact O-CB 3.42Å; Y44-K48 VanDerWaalsContact O-CG 3.29Å; Y44-K48 WeakPolarHBondContact O-CG 3.35Å; Y44-K48 PolarHBondContact O-N 2.68Å; Y44-K48 WeakPolarHBondContact OH-CE 3.46Å; Y44-P148 HydrophobicContact CD2-CG 4.12Å; Y44-P148 HydrophobicContact CE1-CG 4.42Å; Y44-P148 HydrophobicContact CE2-CG 3.74Å
45M98.4Very high97.8Very high0 Ų058.4 Ų58.40%027%0.274CS..Hα-helixtrans-69.4-45.8-174.1-168.9617900111.7M1 A3 L31 D41 A42 R47 K48 I49 L145M1-M45 HydrophobicContact CB-CE 4.06Å; M1-M45 HydrophobicContact CG-CE 4.03Å; M1-M45 HydrophobicContact CG-CG 4.46Å; M1-M45 HydrophobicContact SD-CB 3.56Å; M1-M45 VanDerWaalsContact SD-CB 3.56Å; M1-M45 HydrophobicContact SD-CE 4.41Å; M1-M45 HydrophobicContact SD-CG 3.7Å; A3-M45 HydrophobicContact CB-CE 4.15Å; A3-M45 HydrophobicContact CB-SD 3.82Å; L31-M45 HydrophobicContact CD1-CG 3.97Å; D41-M45 VanDerWaalsContact O-CB 3.26Å; D41-M45 WeakPolarHBondContact O-CB 3.36Å; D41-M45 PolarHBondContact O-N 2.71Å; A42-M45 PolarHBondContact O-N 2.87Å; A42-M45 VanDerWaalsContact O-N 3.09Å; M45-R47 PolarHBondContact O-N 2.71Å; M45-K48 PolarHBondContact O-N 3.07Å; M45-K48 VanDerWaalsContact O-N 3.15Å; M45-I49 HydrophobicContact CG-CD1 3.64Å; M45-I49 HydrophobicContact CG-CG1 4.29Å; M45-I49 WeakPolarHBondContact O-CB 3.45Å; M45-I49 WeakPolarHBondContact O-CG1 3.33Å; M45-I49 PolarHBondContact O-N 2.79Å; M45-I49 HydrophobicContact SD-CD1 4.15Å; M45-I49 HydrophobicContact SD-CG1 4.26Å; M45-L145 HydrophobicContact CE-CB 4.22Å; M45-L145 HydrophobicContact SD-CB 3.89Å; M45-L145 HydrophobicContact SD-CD1 4.12Å
46V98.7Very high97.8Very high8 Ų860.5 Ų60.55%0.04828%0.275CS..Hα-helixtrans-54.2-54.1174.5169.90000110.6A42 K48 I49 L50 I109 M113 A116A42-V46 VanDerWaalsContact O-CG2 3.32Å; A42-V46 WeakPolarHBondContact O-CG2 3.34Å; A42-V46 PolarHBondContact O-N 2.73Å; V46-K48 VanDerWaalsContact C-N 3.28Å; V46-K48 PolarHBondContact O-N 2.85Å; V46-I49 PolarHBondContact O-N 2.92Å; V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 WeakPolarHBondContact O-CB 3.41Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.39Å; V46-L50 VanDerWaalsContact O-N 3.07Å; V46-I109 HydrophobicContact CG2-CG2 3.9Å; V46-M113 HydrophobicContact CB-CG 4.41Å; V46-M113 HydrophobicContact CG1-CG 4Å; V46-M113 HydrophobicContact CG2-CE 4.3Å; V46-M113 HydrophobicContact CG2-CG 3.86Å; V46-A116 HydrophobicContact CG1-CB 4.26Å
47R98.6Very high97.8Very high137 Ų13755.3 Ų55.352%0.51725%0.247SC..Hα-helixtrans-60.2-38.4178.8-179.9175.853.379.29.7111.9E43 M45 N51E43-R47 WeakPolarHBondContact O-CB 3.42Å; E43-R47 PolarHBondContact O-N 3.3Å; M45-R47 PolarHBondContact O-N 2.71Å; R47-N51 WeakPolarHBondContact O-CB 3.35Å; R47-N51 PolarHBondContact O-N 3.12Å; R47-N51 PolarHBondContact O-ND2 3.38Å
48K98.6Very high97.8Very high82 Ų8261.1 Ų61.136%0.35727%0.274SS..Hα-helixtrans-71.5-45.2179.8-81.1-71.5-170.4169.80112.9Y44 M45 V46 L52 L145Y44-K48 HydrophobicContact CD1-CG 4.11Å; Y44-K48 HydrophobicContact CD2-CG 4.49Å; Y44-K48 HydrophobicContact CE1-CB 4.47Å; Y44-K48 HydrophobicContact CE1-CG 3.69Å; Y44-K48 HydrophobicContact CE2-CG 4.09Å; Y44-K48 HydrophobicContact CG-CG 4.49Å; Y44-K48 VanDerWaalsContact O-CB 3.32Å; Y44-K48 WeakPolarHBondContact O-CB 3.42Å; Y44-K48 VanDerWaalsContact O-CG 3.29Å; Y44-K48 WeakPolarHBondContact O-CG 3.35Å; Y44-K48 PolarHBondContact O-N 2.68Å; Y44-K48 WeakPolarHBondContact OH-CE 3.46Å; M45-K48 PolarHBondContact O-N 3.07Å; M45-K48 VanDerWaalsContact O-N 3.15Å; V46-K48 VanDerWaalsContact C-N 3.28Å; V46-K48 PolarHBondContact O-N 2.85Å; K48-L52 VanDerWaalsContact O-CB 3.31Å; K48-L52 WeakPolarHBondContact O-CB 3.24Å; K48-L52 PolarHBondContact O-N 3.33Å; K48-L145 HydrophobicContact CB-CD1 3.84Å
49I98.8Very high97.8Very high0 Ų062.6 Ų62.60%029%0.287CS..Hα-helixtrans-57.5-55.3176.7-72.5163.1000109.9I5 I27 V29 M45 V46 N51 L52 M113 L145I5-I49 HydrophobicContact CD1-CB 4.45Å; I5-I49 HydrophobicContact CD1-CG1 3.79Å; I5-I49 HydrophobicContact CG1-CG1 4.44Å; I27-I49 HydrophobicContact CD1-CG2 3.7Å; V29-I49 HydrophobicContact CG1-CD1 3.89Å; V29-I49 HydrophobicContact CG2-CG2 3.97Å; M45-I49 HydrophobicContact CG-CD1 3.64Å; M45-I49 HydrophobicContact CG-CG1 4.29Å; M45-I49 WeakPolarHBondContact O-CB 3.45Å; M45-I49 WeakPolarHBondContact O-CG1 3.33Å; M45-I49 PolarHBondContact O-N 2.79Å; M45-I49 HydrophobicContact SD-CD1 4.15Å; M45-I49 HydrophobicContact SD-CG1 4.26Å; V46-I49 PolarHBondContact O-N 2.92Å; I49-N51 VanDerWaalsContact C-N 3.31Å; I49-N51 PolarHBondContact O-N 3.09Å; I49-L52 PolarHBondContact O-N 3.48Å; I49-M113 HydrophobicContact CD1-CE 3.46Å; I49-M113 VanDerWaalsContact CD1-CE 3.46Å; I49-M113 HydrophobicContact CG2-CE 4.48Å; I49-L145 HydrophobicContact CG1-CD1 4.42Å
50L98.8Very high97.7Very high2 Ų260.7 Ų60.71%0.0129%0.29CS..Hα-helixtrans-65.5-32.2-173.2-68.4175.9000113.3V46 S66 V67 M68 V74 A116 Y117 I122V46-L50 HydrophobicContact CG1-CD1 3.86Å; V46-L50 WeakPolarHBondContact O-CB 3.41Å; V46-L50 WeakPolarHBondContact O-CG 3.48Å; V46-L50 PolarHBondContact O-N 3.39Å; V46-L50 VanDerWaalsContact O-N 3.07Å; L50-S66 WeakPolarHBondContact O-CB 3.28Å; L50-S66 PolarHBondContact O-OG 2.93Å; L50-V67 HydrophobicContact CD2-CG1 4.32Å; L50-M68 HydrophobicContact CB-CE 4.04Å; L50-M68 HydrophobicContact CB-CG 4.04Å; L50-M68 HydrophobicContact CB-SD 3.76Å; L50-M68 HydrophobicContact CD1-SD 4.31Å; L50-M68 HydrophobicContact CD2-CG 4.36Å; L50-M68 HydrophobicContact CG-SD 4.44Å; L50-M68 WeakPolarHBondContact O-CG 3.29Å; L50-V74 HydrophobicContact CD2-CG2 4.32Å; L50-A116 HydrophobicContact CD1-CB 3.75Å; L50-Y117 HydrophobicContact CD2-CD1 4.03Å; L50-Y117 HydrophobicContact CD2-CG 4.3Å; L50-I122 HydrophobicContact CD2-CD1 4.27Å
51N98.7Very high97.6Very high87 Ų8761.1 Ų61.147%0.46529%0.292SS..THydrogen-bonded Turntrans-98.86.3-179.9-65.3-95.5000113.6R47 I49 R53 M68R47-N51 WeakPolarHBondContact O-CB 3.35Å; R47-N51 PolarHBondContact O-N 3.12Å; R47-N51 PolarHBondContact O-ND2 3.38Å; I49-N51 VanDerWaalsContact C-N 3.31Å; I49-N51 PolarHBondContact O-N 3.09Å; N51-R53 PolarHBondContact O-N 3.2Å; N51-M68 WeakPolarHBondContact OD1-CE 3.32Å
52L98.5Very high97.5Very high38 Ų3862.5 Ų62.520%0.19931%0.306CS..  trans-72119.6-179.6-173.765.3000109.9I5 K48 I49 L54 S66 V143I5-L52 HydrophobicContact CD1-CD2 3.64Å; I5-L52 HydrophobicContact CG2-CD2 4.46Å; K48-L52 VanDerWaalsContact O-CB 3.31Å; K48-L52 WeakPolarHBondContact O-CB 3.24Å; K48-L52 PolarHBondContact O-N 3.33Å; I49-L52 PolarHBondContact O-N 3.48Å; L52-L54 HydrophobicContact CD2-CD1 3.97Å; L52-L54 HydrophobicContact CD2-CD2 3.83Å; L52-L54 HydrophobicContact CD2-CG 3.99Å; L52-L54 HydrophobicContact CG-CD1 4.38Å; L52-L54 HydrophobicContact CG-CD2 3.85Å; L52-L54 HydrophobicContact CG-CG 3.9Å; L52-L54 PolarHBondContact O-N 3.47Å; L52-S66 VanDerWaalsContact O-CA 3.3Å; L52-S66 WeakPolarHBondContact O-CA 3.33Å; L52-S66 WeakPolarHBondContact O-CB 3.36Å; L52-V143 HydrophobicContact CD2-CB 4.13Å; L52-V143 HydrophobicContact CD2-CG1 4.01Å; L52-V143 HydrophobicContact CD2-CG2 4.37Å
53R98.5Very high97.5Very high147 Ų14769.7 Ų69.756%0.55533%0.333SS*.  trans-81.198.8-177-64.3177.8172.6-145.7-4.5111N51 W63 A64 K65N51-R53 PolarHBondContact O-N 3.2Å; R53-W63 VanDerWaalsContact CB-O 3.31Å; R53-W63 WeakPolarHBondContact CB-O 3.34Å; R53-A64 VanDerWaalsContact CD-O 3.28Å; R53-A64 WeakPolarHBondContact CD-O 3.46Å; R53-A64 VanDerWaalsContact CZ-O 3.31Å; R53-A64 PolarHBondContact NE-O 2.9Å; R53-A64 PolarHBondContact NH1-O 2.66Å; R53-A64 VanDerWaalsContact NH1-O 3.1Å; R53-K65 CarbonylContact C-O 3.59Å; R53-K65 VanDerWaalsContact CA-O 3.26Å; R53-K65 WeakPolarHBondContact CA-O 3.32Å
54L98.2Very high97.5Very high4 Ų464.7 Ų64.72%0.02131%0.311CS..  trans-116.1-8.5-179.2-60.7-177.1000113.6I5 R7 I27 L52 W63 K65 V141 V143I5-L54 HydrophobicContact CG2-CD1 3.82Å; R7-L54 VanDerWaalsContact CD-O 3.26Å; R7-L54 WeakPolarHBondContact CD-O 3.48Å; R7-L54 PolarHBondContact NH1-O 3.07Å; I27-L54 HydrophobicContact CG2-CD1 3.93Å; L52-L54 HydrophobicContact CD2-CD1 3.97Å; L52-L54 HydrophobicContact CD2-CD2 3.83Å; L52-L54 HydrophobicContact CD2-CG 3.99Å; L52-L54 HydrophobicContact CG-CD1 4.38Å; L52-L54 HydrophobicContact CG-CD2 3.85Å; L52-L54 HydrophobicContact CG-CG 3.9Å; L52-L54 PolarHBondContact O-N 3.47Å; L54-W63 HydrophobicContact CD2-CE3 4.35Å; L54-W63 HydrophobicContact CD2-CZ3 3.97Å; L54-K65 PolarHBondContact N-O 3.02Å; L54-V141 HydrophobicContact CD2-CG1 4.06Å; L54-V143 HydrophobicContact CD2-CG2 3.84Å
55F98.4Very high97.5Very high6 Ų664.2 Ų64.23%0.02631%0.31CS..BIsolated β-bridgetrans-112.1157.5-173.9-56-83.6000111.2R7 I27 A64 K65 V67 R70 L72R7-F55 HydrophobicContact CG-CD1 4.23Å; R7-F55 HydrophobicContact CG-CE1 3.55Å; R7-F55 HydrophobicContact CG-CZ 3.93Å; I27-F55 HydrophobicContact CG2-CE2 4.13Å; I27-F55 HydrophobicContact CG2-CZ 3.93Å; F55-A64 PolarHBondContact O-N 2.91Å; F55-K65 HydrophobicContact CB-CB 4.15Å; F55-K65 PolarHBondContact N-O 3.44Å; F55-K65 PolarHBondContact O-N 2.94Å; F55-V67 HydrophobicContact CE2-CB 4.05Å; F55-V67 HydrophobicContact CE2-CG2 4.48Å; F55-R70 HydrophobicContact CB-CG 3.81Å; F55-R70 HydrophobicContact CD2-CG 4.38Å; F55-R70 HydrophobicContact CG-CG 4.11Å; F55-L72 HydrophobicContact CD1-CD1 3.73Å; F55-L72 HydrophobicContact CD2-CD1 4.35Å; F55-L72 HydrophobicContact CE1-CD1 3.4Å; F55-L72 VanDerWaalsContact CE1-CD1 3.4Å; F55-L72 HydrophobicContact CE2-CD1 4.09Å; F55-L72 HydrophobicContact CG-CD1 4.19Å; F55-L72 HydrophobicContact CZ-CD1 3.61Å
56E97.4Very high97.5Very high96 Ų9664.2 Ų64.245%0.44931%0.31SS..  trans-74.9153.6173.8-73.9161.9-149.800111.3R61 A62 K65E56-R61 VanDerWaalsContact CA-O 3.29Å; E56-R61 WeakPolarHBondContact CA-O 3.2Å; E56-A62 HydrophobicContact CG-CB 4.46Å; E56-K65 WeakPolarHBondContact O-CG 3.4Å
57D96.2Very high97.5Very high32 Ų3263.9 Ų63.917%0.17131%0.308CS..  trans-84.6-179.2164.96726.7000111.9S59 G60 R61 A64 K65D57-S59 PolarHBondContact O-N 3.09Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CA 3.35Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.87Å; D57-S59 PolarHBondContact OD1-OG 3.34Å; D57-G60 PolarHBondContact O-N 3.33Å; D57-G60 PolarHBondContact OD1-N 3.21Å; D57-R61 PolarHBondContact N-O 3.03Å; D57-R61 WeakPolarHBondContact OD1-CB 3.47Å; D57-R61 PolarHBondContact OD1-N 3.38Å; D57-R61 VanDerWaalsContact OD1-N 3.11Å; D57-R61 WeakPolarHBondContact OD2-CB 3.47Å; D57-A64 HydrophobicContact CB-CB 3.69Å; D57-K65 HydrophobicContact CB-CD 4.39Å; D57-K65 HydrophobicContact CB-CG 3.95Å
58E95.9Very high97.5Very high139 Ų13959.4 Ų59.465%0.6529%0.294SS*.THydrogen-bonded Turntrans-65.3-11.4-177-60.369.2-144.600113.1K65E58-K65 IonicContact OE1-NZ 2.67Å; E58-K65 PolarHBondContact OE1-NZ 3.05Å; E58-K65 WeakPolarHBondContact OE2-CE 3.47Å; E58-K65 IonicContact OE2-NZ 2.69Å; E58-K65 PolarHBondContact OE2-NZ 2.92Å
59S95.7Very high97.5Very high101 Ų10159.5 Ų59.571%0.70630%0.298SS*.THydrogen-bonded Turntrans-98.94.2173.972.30000113.9D57 R61D57-S59 PolarHBondContact O-N 3.09Å; D57-S59 VanDerWaalsContact O-N 3.08Å; D57-S59 WeakPolarHBondContact OD1-CA 3.35Å; D57-S59 WeakPolarHBondContact OD1-CB 3.4Å; D57-S59 PolarHBondContact OD1-N 2.87Å; D57-S59 PolarHBondContact OD1-OG 3.34Å; S59-R61 VanDerWaalsContact C-N 3.34Å
60G94Very high97.5Very high44 Ų4464.2 Ų64.245%0.45432%0.316SS..  trans7814.7-176.400000113.9D57 A62D57-G60 PolarHBondContact O-N 3.33Å; D57-G60 PolarHBondContact OD1-N 3.21Å; G60-A62 PolarHBondContact O-N 3.1Å
61R96.1Very high97.5Very high171 Ų17169.6 Ų69.665%0.64534%0.341SS*.  trans-76.2114179.1-175.8-171.2174.9169.72.5110.3E56 D57 S59 A64E56-R61 VanDerWaalsContact CA-O 3.29Å; E56-R61 WeakPolarHBondContact CA-O 3.2Å; D57-R61 PolarHBondContact N-O 3.03Å; D57-R61 WeakPolarHBondContact OD1-CB 3.47Å; D57-R61 PolarHBondContact OD1-N 3.38Å; D57-R61 VanDerWaalsContact OD1-N 3.11Å; D57-R61 WeakPolarHBondContact OD2-CB 3.47Å; S59-R61 VanDerWaalsContact C-N 3.34Å; R61-A64 HydrophobicContact CB-CB 4.4Å; R61-A64 HydrophobicContact CG-CB 4.46Å; R61-A64 WeakPolarHBondContact O-CB 3.34Å
62A94.7Very high97.5Very high48 Ų4866.6 Ų66.640%0.39733%0.325SS..THydrogen-bonded Turntrans-58.5151.8175.300000113.2E56 G60 A64E56-A62 HydrophobicContact CG-CB 4.46Å; G60-A62 PolarHBondContact O-N 3.1Å; A62-A64 PolarHBondContact O-N 3.46Å
63W97.4Very high97.5Very high151 Ų15166.8 Ų66.857%0.57233%0.325SS*.THydrogen-bonded Turntrans59.928.4177-39105.1000114.3R53 L54 V141R53-W63 VanDerWaalsContact CB-O 3.31Å; R53-W63 WeakPolarHBondContact CB-O 3.34Å; L54-W63 HydrophobicContact CD2-CE3 4.35Å; L54-W63 HydrophobicContact CD2-CZ3 3.97Å; W63-V141 HydrophobicContact CH2-CG1 3.82Å; W63-V141 HydrophobicContact CH2-CG2 4.04Å; W63-V141 HydrophobicContact CZ3-CG1 3.75Å
64A97.9Very high97.5Very high9 Ų959.8 Ų59.87%0.07430%0.298CS..  trans-96.8-38.6-174.400000113.5R53 F55 D57 R61 A62R53-A64 VanDerWaalsContact CD-O 3.28Å; R53-A64 WeakPolarHBondContact CD-O 3.46Å; R53-A64 VanDerWaalsContact CZ-O 3.31Å; R53-A64 PolarHBondContact NE-O 2.9Å; R53-A64 PolarHBondContact NH1-O 2.66Å; R53-A64 VanDerWaalsContact NH1-O 3.1Å; F55-A64 PolarHBondContact O-N 2.91Å; D57-A64 HydrophobicContact CB-CB 3.69Å; R61-A64 HydrophobicContact CB-CB 4.4Å; R61-A64 HydrophobicContact CG-CB 4.46Å; R61-A64 WeakPolarHBondContact O-CB 3.34Å; A62-A64 PolarHBondContact O-N 3.46Å
65K98.6Very high97.5Very high46 Ų4659.6 Ų59.620%0.230%0.297CS..BIsolated β-bridgetrans-118.5142.8-171.7-60.3-74.2175.5115.70111.9R53 L54 F55 E56 D57 E58 D69 R70R53-K65 CarbonylContact C-O 3.59Å; R53-K65 VanDerWaalsContact CA-O 3.26Å; R53-K65 WeakPolarHBondContact CA-O 3.32Å; L54-K65 PolarHBondContact N-O 3.02Å; F55-K65 HydrophobicContact CB-CB 4.15Å; F55-K65 PolarHBondContact N-O 3.44Å; F55-K65 PolarHBondContact O-N 2.94Å; E56-K65 WeakPolarHBondContact O-CG 3.4Å; D57-K65 HydrophobicContact CB-CD 4.39Å; D57-K65 HydrophobicContact CB-CG 3.95Å; E58-K65 IonicContact OE1-NZ 2.67Å; E58-K65 PolarHBondContact OE1-NZ 3.05Å; E58-K65 WeakPolarHBondContact OE2-CE 3.47Å; E58-K65 IonicContact OE2-NZ 2.69Å; E58-K65 PolarHBondContact OE2-NZ 2.92Å; K65-D69 HydrophobicContact CB-CB 3.98Å; K65-D69 HydrophobicContact CD-CB 3.74Å; K65-D69 HydrophobicContact CG-CB 4.44Å; K65-R70 HydrophobicContact CB-CG 3.78Å; K65-R70 HydrophobicContact CG-CG 4.48Å
66S98.8Very high97.6Very high0 Ų059.3 Ų59.30%030%0.296CS..  trans-87.4176.7172.768.60000112.7L50 L52 M68 D69 R70L50-S66 WeakPolarHBondContact O-CB 3.28Å; L50-S66 PolarHBondContact O-OG 2.93Å; L52-S66 VanDerWaalsContact O-CA 3.3Å; L52-S66 WeakPolarHBondContact O-CA 3.33Å; L52-S66 WeakPolarHBondContact O-CB 3.36Å; S66-M68 PolarHBondContact O-N 3.25Å; S66-M68 PolarHBondContact OG-N 3.14Å; S66-D69 VanDerWaalsContact CB-OD2 3.25Å; S66-D69 WeakPolarHBondContact CB-OD2 3.26Å; S66-D69 PolarHBondContact N-OD2 2.99Å; S66-D69 PolarHBondContact O-N 3.4Å; S66-D69 PolarHBondContact OG-N 2.93Å; S66-D69 PolarHBondContact OG-OD2 2.84Å; S66-R70 PolarHBondContact O-N 3.18Å
67V98.6Very high97.6Very high1 Ų154.7 Ų54.71%0.00628%0.275CS..THydrogen-bonded Turntrans-60.3-37.3173.869.30000111.3I27 L50 F55 E71 L72 V74 Y117I27-V67 HydrophobicContact CD1-CB 4.22Å; I27-V67 HydrophobicContact CD1-CG1 4.02Å; I27-V67 HydrophobicContact CD1-CG2 4.45Å; I27-V67 HydrophobicContact CG1-CB 4.43Å; I27-V67 HydrophobicContact CG1-CG2 4.17Å; L50-V67 HydrophobicContact CD2-CG1 4.32Å; F55-V67 HydrophobicContact CE2-CB 4.05Å; F55-V67 HydrophobicContact CE2-CG2 4.48Å; V67-E71 PolarHBondContact O-N 3.08Å; V67-L72 HydrophobicContact CG2-CB 3.76Å; V67-L72 PolarHBondContact O-N 2.91Å; V67-V74 HydrophobicContact CG1-CG2 4.05Å; V67-V74 HydrophobicContact CG2-CG2 3.94Å; V67-Y117 PolarHBondContact O-OH 2.85Å
68M98.7Very high97.7Very high44 Ų4454.1 Ų54.122%0.21727%0.273CS..G310 helixtrans-70.1-43.3176.2-61.1-166.4-59.900112.6L50 N51 S66 R70 E71 Y117L50-M68 HydrophobicContact CB-CE 4.04Å; L50-M68 HydrophobicContact CB-CG 4.04Å; L50-M68 HydrophobicContact CB-SD 3.76Å; L50-M68 HydrophobicContact CD1-SD 4.31Å; L50-M68 HydrophobicContact CD2-CG 4.36Å; L50-M68 HydrophobicContact CG-SD 4.44Å; L50-M68 WeakPolarHBondContact O-CG 3.29Å; N51-M68 WeakPolarHBondContact OD1-CE 3.32Å; S66-M68 PolarHBondContact O-N 3.25Å; S66-M68 PolarHBondContact OG-N 3.14Å; M68-R70 PolarHBondContact O-N 2.77Å; M68-R70 VanDerWaalsContact O-N 3.09Å; M68-E71 PolarHBondContact O-N 2.88Å; M68-Y117 HydrophobicContact CB-CD2 4.02Å; M68-Y117 HydrophobicContact CB-CE2 3.84Å; M68-Y117 HydrophobicContact CG-CD1 4.34Å; M68-Y117 HydrophobicContact CG-CD2 3.49Å; M68-Y117 VanDerWaalsContact CG-CD2 3.49Å; M68-Y117 HydrophobicContact CG-CE2 3.72Å; M68-Y117 HydrophobicContact CG-CG 3.82Å; M68-Y117 HydrophobicContact SD-CD2 3.91Å; M68-Y117 HydrophobicContact SD-CG 4.13Å
69D98.4Very high97.8Very high84 Ų8450 Ų5045%0.44925%0.254SS..G310 helixtrans-64.2-16-179.4-59-58.1000113.2K65 S66K65-D69 HydrophobicContact CB-CB 3.98Å; K65-D69 HydrophobicContact CD-CB 3.74Å; K65-D69 HydrophobicContact CG-CB 4.44Å; S66-D69 VanDerWaalsContact CB-OD2 3.25Å; S66-D69 WeakPolarHBondContact CB-OD2 3.26Å; S66-D69 PolarHBondContact N-OD2 2.99Å; S66-D69 PolarHBondContact O-N 3.4Å; S66-D69 PolarHBondContact OG-N 2.93Å; S66-D69 PolarHBondContact OG-OD2 2.84Å
70R98Very high97.9Very high99 Ų9950.7 Ų50.737%0.37424%0.244SC..G310 helixtrans-1080178.3-66.8-69.4-62-174.9-2113.4F55 K65 S66 M68 L72F55-R70 HydrophobicContact CB-CG 3.81Å; F55-R70 HydrophobicContact CD2-CG 4.38Å; F55-R70 HydrophobicContact CG-CG 4.11Å; K65-R70 HydrophobicContact CB-CG 3.78Å; K65-R70 HydrophobicContact CG-CG 4.48Å; S66-R70 PolarHBondContact O-N 3.18Å; M68-R70 PolarHBondContact O-N 2.77Å; M68-R70 VanDerWaalsContact O-N 3.09Å; R70-L72 HydrophobicContact CB-CB 4.49Å; R70-L72 HydrophobicContact CB-CD1 3.63Å; R70-L72 HydrophobicContact CB-CG 3.59Å; R70-L72 HydrophobicContact CG-CD1 4.34Å; R70-L72 PolarHBondContact O-N 3.21Å
71E98.3Very high98.1Very high115 Ų11551 Ų5154%0.53724%0.237SC..THydrogen-bonded Turntrans53.436.5-174.7-50.2-159.5162.800114V67 M68 Y117 R118V67-E71 PolarHBondContact O-N 3.08Å; M68-E71 PolarHBondContact O-N 2.88Å; E71-Y117 VanDerWaalsContact CA-OH 3.24Å; E71-Y117 WeakPolarHBondContact CA-OH 3.11Å; E71-R118 IonicContact OE1-CZ 3.46Å; E71-R118 IonicContact OE1-NH1 2.71Å; E71-R118 IonicContact OE1-NH2 3.56Å; E71-R118 PolarHBondContact OE1-NH2 3.24Å; E71-R118 IonicContact OE2-CZ 2.83Å; E71-R118 IonicContact OE2-NH1 3.3Å; E71-R118 PolarHBondContact OE2-NH1 2.78Å; E71-R118 IonicContact OE2-NH2 3.44Å; E71-R118 PolarHBondContact OE2-NH2 3.36Å
72L98.6Very high98.2Very high24 Ų2444.1 Ų44.113%0.12621%0.214CC..  trans-92.8169-175.8-66177.9000113.2Q25 F55 V67 R70 Y117Q25-L72 HydrophobicContact CB-CD2 4.04Å; Q25-L72 HydrophobicContact CG-CD1 4.08Å; Q25-L72 HydrophobicContact CG-CD2 4.24Å; F55-L72 HydrophobicContact CD1-CD1 3.73Å; F55-L72 HydrophobicContact CD2-CD1 4.35Å; F55-L72 HydrophobicContact CE1-CD1 3.4Å; F55-L72 VanDerWaalsContact CE1-CD1 3.4Å; F55-L72 HydrophobicContact CE2-CD1 4.09Å; F55-L72 HydrophobicContact CG-CD1 4.19Å; F55-L72 HydrophobicContact CZ-CD1 3.61Å; V67-L72 HydrophobicContact CG2-CB 3.76Å; V67-L72 PolarHBondContact O-N 2.91Å; R70-L72 HydrophobicContact CB-CB 4.49Å; R70-L72 HydrophobicContact CB-CD1 3.63Å; R70-L72 HydrophobicContact CB-CG 3.59Å; R70-L72 HydrophobicContact CG-CD1 4.34Å; R70-L72 PolarHBondContact O-N 3.21Å; L72-Y117 PolarHBondContact N-OH 2.87Å; L72-Y117 WeakPolarHBondContact O-CE1 3.31Å; L72-Y117 PolarHBondContact O-OH 2.6Å
73E98.9Very high98.3Very high41 Ų4142.8 Ų42.819%0.19220%0.199CC..EExtended strand (participates in β ladder)trans-87.2157.2-176-67.8-175.6106.800113.8I23 G24 Q25 G26 I27 L121 K123I23-E73 WeakPolarHBondContact CA-OE2 3.41Å; I23-E73 HydrophobicContact CB-CB 3.71Å; I23-E73 HydrophobicContact CB-CG 4.46Å; I23-E73 HydrophobicContact CD1-CB 4.5Å; I23-E73 HydrophobicContact CG2-CB 3.62Å; I23-E73 HydrophobicContact CG2-CG 4.36Å; G24-E73 PolarHBondContact N-OE2 3.33Å; Q25-E73 PolarHBondContact O-N 2.8Å; G26-E73 CarbonylContact C-O 3.59Å; G26-E73 WeakPolarHBondContact CA-O 2.91Å; I27-E73 PolarHBondContact N-O 2.83Å; E73-L121 HydrophobicContact CG-CD2 3.88Å; E73-K123 WeakPolarHBondContact OE1-CE 3.38Å; E73-K123 IonicContact OE1-NZ 3.86Å; E73-K123 PolarHBondContact OE1-NZ 3.3Å
74V98.9Very high98.3Very high0 Ų037.5 Ų37.50%019%0.185CC..EExtended strand (participates in β ladder)trans-125.2121.5174.8-179.30000108.5I27 V29 L50 V67 L121 I122 K123I27-V74 HydrophobicContact CD1-CG1 4.34Å; I27-V74 HydrophobicContact CD1-CG2 4.09Å; I27-V74 HydrophobicContact CG1-CB 4.28Å; I27-V74 HydrophobicContact CG1-CG1 4.1Å; I27-V74 HydrophobicContact CG1-CG2 3.9Å; I27-V74 WeakPolarHBondContact O-CA 3.36Å; V29-V74 HydrophobicContact CG2-CG1 4.15Å; L50-V74 HydrophobicContact CD2-CG2 4.32Å; V67-V74 HydrophobicContact CG1-CG2 4.05Å; V67-V74 HydrophobicContact CG2-CG2 3.94Å; V74-L121 PolarHBondContact N-O 2.84Å; V74-I122 HydrophobicContact CB-CD1 3.71Å; V74-I122 HydrophobicContact CG1-CD1 4.31Å; V74-I122 HydrophobicContact CG2-CD1 3.79Å; V74-K123 PolarHBondContact O-N 3.24Å
75L98.9Very high98.1Very high0 Ų040.7 Ų40.70%020%0.2CC..EExtended strand (participates in β ladder)trans-102.6109.7166.2174.962.6000108.3A11 V13 S21 I23 I27 C28 V29 V77 K123A11-L75 HydrophobicContact CB-CD2 3.68Å; V13-L75 HydrophobicContact CG2-CD1 3.94Å; V13-L75 HydrophobicContact CG2-CD2 3.97Å; V13-L75 HydrophobicContact CG2-CG 4.39Å; S21-L75 WeakPolarHBondContact OG-CD1 3.42Å; I23-L75 HydrophobicContact CD1-CB 3.63Å; I23-L75 HydrophobicContact CG1-CB 3.86Å; I23-L75 HydrophobicContact CG2-CB 4.02Å; I27-L75 PolarHBondContact O-N 2.93Å; C28-L75 CarbonylContact C-O 3.57Å; C28-L75 WeakPolarHBondContact CA-O 3.48Å; V29-L75 PolarHBondContact N-O 2.85Å; L75-V77 HydrophobicContact CD1-CG2 4.38Å; L75-V77 HydrophobicContact CG-CG2 4.16Å; L75-K123 HydrophobicContact CD1-CB 3.96Å
76C98.8Very high98Very high0 Ų044.3 Ų44.30%022%0.22CC..EExtended strand (participates in β ladder)trans-99.5137.2174.5-165.40000110V29 Y106 L110 K123 D124 G125V29-C76 CarbonylContact O-C 3.54Å; V29-C76 WeakPolarHBondContact O-CA 3.36Å; C76-Y106 VanDerWaalsContact C-OH 3.26Å; C76-Y106 PolarHBondContact O-OH 2.86Å; C76-Y106 VanDerWaalsContact O-OH 3.05Å; C76-L110 HydrophobicContact CB-CD2 3.7Å; C76-K123 PolarHBondContact N-O 3.04Å; C76-D124 CarbonylContact O-C 3.53Å; C76-D124 WeakPolarHBondContact O-CA 3.31Å; C76-G125 PolarHBondContact O-N 3.39Å; C76-G125 VanDerWaalsContact O-N 3.12Å
77V98.7Very high97.7Very high0 Ų050.3 Ų50.30%025%0.247CC..EExtended strand (participates in β ladder)trans-135.5128.8178.8-1750000109.3V13 V29 L30 L31 L75 Q79 Y106 M131 V133V13-V77 HydrophobicContact CG2-CG2 3.96Å; V29-V77 PolarHBondContact O-N 3.28Å; L30-V77 HydrophobicContact CD2-CB 4.16Å; L31-V77 PolarHBondContact N-O 3.06Å; L75-V77 HydrophobicContact CD1-CG2 4.38Å; L75-V77 HydrophobicContact CG-CG2 4.16Å; V77-Q79 PolarHBondContact O-N 3.28Å; V77-Y106 PolarHBondContact N-OH 2.8Å; V77-M131 HydrophobicContact CG1-CE 3.71Å; V77-M131 HydrophobicContact CG1-SD 3.95Å; V77-V133 HydrophobicContact CG1-CG2 4.26Å; V77-V133 HydrophobicContact CG2-CG1 4.35Å
78S97.9Very high97.5Very high20 Ų2053.2 Ų53.214%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-63.7121.4174.259.60000111.5Y106 F127S78-Y106 PolarHBondContact N-OH 2.62Å; S78-F127 WeakPolarHBondContact OG-CD2 3.22Å
79Q98.3Very high97.4Very high53 Ų5359.1 Ų59.125%0.24831%0.309CS..  trans-133.976.3-175.4-166.267.856.300111.3L30 L31 G32 V77 T81 L82L30-Q79 HydrophobicContact CB-CB 3.88Å; L30-Q79 HydrophobicContact CB-CG 4.14Å; L31-Q79 PolarHBondContact O-N 2.7Å; G32-Q79 WeakPolarHBondContact CA-O 3.38Å; V77-Q79 PolarHBondContact O-N 3.28Å; Q79-T81 PolarHBondContact NE2-OG1 3.27Å; Q79-T81 PolarHBondContact O-N 3.05Å; Q79-T81 VanDerWaalsContact O-N 3.09Å; Q79-L82 HydrophobicContact CB-CD1 4.26Å; Q79-L82 HydrophobicContact CB-CG 4.19Å; Q79-L82 HydrophobicContact CG-CD1 4.41Å; Q79-L82 HydrophobicContact CG-CD2 4.45Å; Q79-L82 HydrophobicContact CG-CG 3.9Å; Q79-L82 PolarHBondContact O-N 3.02Å; Q79-L82 VanDerWaalsContact O-N 3.1Å
80F97.6Very high97.4Very high114 Ų11462.4 Ų62.450%0.532%0.319SS..G310 helixtrans-57.2-27.2-179.184.4-84.6000113.2L82 Q83 F93 A96F80-L82 PolarHBondContact O-N 3.3Å; F80-L82 VanDerWaalsContact O-N 3.09Å; F80-Q83 PolarHBondContact O-N 2.91Å; F80-F93 HydrophobicContact CD2-CB 4.07Å; F80-F93 HydrophobicContact CD2-CD1 4.26Å; F80-F93 HydrophobicContact CD2-CG 4.13Å; F80-F93 HydrophobicContact CE2-CB 3.86Å; F80-F93 AromaticContact CE2-CD1 3.96Å; F80-F93 HydrophobicContact CE2-CD1 3.96Å; F80-F93 AromaticContact CE2-CD2 3.8Å; F80-F93 HydrophobicContact CE2-CD2 3.8Å; F80-F93 HydrophobicContact CE2-CE1 4.43Å; F80-F93 HydrophobicContact CE2-CE2 4.29Å; F80-F93 AromaticContact CE2-CG 3.6Å; F80-F93 HydrophobicContact CE2-CG 3.6Å; F80-A96 HydrophobicContact CB-CB 4.21Å; F80-A96 HydrophobicContact CD2-CB 4.18Å
81T97.6Very high97.3Very high50 Ų5060.6 Ų60.631%0.30732%0.321SS..G310 helixtrans-65.4-10.9179.366.70000114.1Q79 Q83 C84 F93Q79-T81 PolarHBondContact NE2-OG1 3.27Å; Q79-T81 PolarHBondContact O-N 3.05Å; Q79-T81 VanDerWaalsContact O-N 3.09Å; T81-Q83 PolarHBondContact O-N 3.05Å; T81-C84 WeakPolarHBondContact O-CB 3.23Å; T81-C84 PolarHBondContact O-N 3.48Å; T81-F93 HydrophobicContact CG2-CE1 3.85Å; T81-F93 HydrophobicContact CG2-CZ 4.03Å
82L97.8Very high97.3Very high28 Ų2857 Ų5715%0.14731%0.305CS..G310 helixtrans-68.3-17.6167.8-62.1-178.4000112.3R2 I4 L30 Q79 F80 C84R2-L82 HydrophobicContact CB-CB 4.34Å; R2-L82 WeakPolarHBondContact CD-O 3.31Å; R2-L82 PolarHBondContact NH1-O 2.99Å; I4-L82 HydrophobicContact CG1-CD1 4.01Å; I4-L82 HydrophobicContact CG1-CD2 3.67Å; L30-L82 HydrophobicContact CB-CD1 4.18Å; L30-L82 WeakPolarHBondContact O-CD1 3.46Å; Q79-L82 HydrophobicContact CB-CD1 4.26Å; Q79-L82 HydrophobicContact CB-CG 4.19Å; Q79-L82 HydrophobicContact CG-CD1 4.41Å; Q79-L82 HydrophobicContact CG-CD2 4.45Å; Q79-L82 HydrophobicContact CG-CG 3.9Å; Q79-L82 PolarHBondContact O-N 3.02Å; Q79-L82 VanDerWaalsContact O-N 3.1Å; F80-L82 PolarHBondContact O-N 3.3Å; F80-L82 VanDerWaalsContact O-N 3.09Å; L82-C84 PolarHBondContact O-N 2.78Å
83Q97.3Very high97.2Very high19 Ų1959.1 Ų59.19%0.08931%0.313CS..G310 helixtrans-91.836.3169.8-51.7-57.4-9.800111.9G32 F80 T81 A95 A96G32-Q83 PolarHBondContact O-NE2 3.38Å; F80-Q83 PolarHBondContact O-N 2.91Å; T81-Q83 PolarHBondContact O-N 3.05Å; Q83-A95 HydrophobicContact CB-CB 4.38Å; Q83-A96 HydrophobicContact CB-CB 3.99Å; Q83-A96 HydrophobicContact CG-CB 4.46Å
84C96.8Very high97.1Very high40 Ų4063 Ų6327%0.2733%0.331SS..  trans-78.1133.5174.5-175.70000112T81 L82 P91 D92 F93T81-C84 WeakPolarHBondContact O-CB 3.23Å; T81-C84 PolarHBondContact O-N 3.48Å; L82-C84 PolarHBondContact O-N 2.78Å; C84-P91 VanDerWaalsContact SG-CB 3.5Å; C84-D92 WeakPolarHBondContact CA-O 3.18Å; C84-F93 HydrophobicContact CB-CD1 3.99Å; C84-F93 HydrophobicContact CB-CE1 3.71Å
85I95Very high96.9Very high77 Ų7764.1 Ų64.140%0.39534%0.341SS..EExtended strand (participates in β ladder)trans-115.9135.7164.2-65.1167.6000107.2D92 A95I85-D92 PolarHBondContact N-O 2.8Å; I85-D92 WeakPolarHBondContact O-CB 3.46Å; I85-D92 PolarHBondContact O-N 2.85Å; I85-A95 HydrophobicContact CD1-CB 4.03Å
86L95.8Very high96.9Very high121 Ų12164.8 Ų64.863%0.63435%0.346SS*.EExtended strand (participates in β ladder)trans-93.6121.1-179-66.8179.7000111P91L86-P91 HydrophobicContact CD2-CB 4.37Å
87K93.4Very high96.8Very high127 Ų12765.7 Ų65.755%0.55235%0.351SS*.EExtended strand (participates in β ladder)trans-101.887.8170-72.1178.2179.4167.20108N89 K90 D92K87-N89 PolarHBondContact O-N 3.42Å; K87-K90 PolarHBondContact N-O 3.34Å; K87-K90 PolarHBondContact O-N 2.88Å; K87-D92 HydrophobicContact CD-CB 4.2Å; K87-D92 WeakPolarHBondContact CD-OD2 3.43Å; K87-D92 VanDerWaalsContact CE-OD2 3.22Å; K87-D92 WeakPolarHBondContact CE-OD2 3.48Å; K87-D92 HydrophobicContact CG-CB 4.46Å; K87-D92 IonicContact NZ-OD2 2.66Å; K87-D92 PolarHBondContact NZ-OD2 2.84Å
88G94.8Very high96.8Very high62 Ų6268.9 Ų68.964%0.63937%0.371SS*.THydrogen-bonded Turntrans64.6-126.7-161.300000109.4
89N96.4Very high96.7Very high168 Ų16870.5 Ų70.590%0.89839%0.386SS*.THydrogen-bonded Turntrans-90.3-2.7175-63.6-11.3000113.5K87K87-N89 PolarHBondContact O-N 3.42Å
90K97Very high96.7Very high152 Ų15275 Ų7566%0.66141%0.407SS*.EExtended strand (participates in β ladder)trans-84.9123.8179.8-178.3176.5176-179.50110K87K87-K90 PolarHBondContact N-O 3.34Å; K87-K90 PolarHBondContact O-N 2.88Å
91P97.3Very high96.7Very high62 Ų6274.7 Ų74.740%0.40341%0.41SS..EExtended strand (participates in β ladder)trans-71.6141.4170.531.2-34.7000110.9C84 L86 F93C84-P91 VanDerWaalsContact SG-CB 3.5Å; L86-P91 HydrophobicContact CD2-CB 4.37Å; P91-F93 HydrophobicContact CB-CE1 4.27Å; P91-F93 HydrophobicContact CB-CE2 4.09Å; P91-F93 HydrophobicContact CB-CZ 3.7Å; P91-F93 HydrophobicContact CG-CE2 4.34Å; P91-F93 HydrophobicContact CG-CZ 4.2Å
92D97Very high96.7Very high39 Ų3972.7 Ų72.721%0.20940%0.399CS..EExtended strand (participates in β ladder)trans-132.3133.8176.5-169.6-45.7000108.4C84 I85 K87 H94C84-D92 WeakPolarHBondContact CA-O 3.18Å; I85-D92 PolarHBondContact N-O 2.8Å; I85-D92 WeakPolarHBondContact O-CB 3.46Å; I85-D92 PolarHBondContact O-N 2.85Å; K87-D92 HydrophobicContact CD-CB 4.2Å; K87-D92 WeakPolarHBondContact CD-OD2 3.43Å; K87-D92 VanDerWaalsContact CE-OD2 3.22Å; K87-D92 WeakPolarHBondContact CE-OD2 3.48Å; K87-D92 HydrophobicContact CG-CB 4.46Å; K87-D92 IonicContact NZ-OD2 2.66Å; K87-D92 PolarHBondContact NZ-OD2 2.84Å; D92-H94 IonicContact OD1-CE1 3.82Å; D92-H94 IonicContact OD1-CG 3.48Å; D92-H94 PolarHBondContact OD1-N 3.27Å; D92-H94 IonicContact OD1-ND1 2.71Å; D92-H94 PolarHBondContact OD1-ND1 3.07Å; D92-H94 IonicContact OD2-ND1 3.63Å
93F97.1Very high96.7Very high68 Ų6876.5 Ų76.530%0.29842%0.416SS..  trans-119.318.7-171.1-51.8-74.7000113.1F80 T81 C84 P91 A95 A96F80-F93 HydrophobicContact CD2-CB 4.07Å; F80-F93 HydrophobicContact CD2-CD1 4.26Å; F80-F93 HydrophobicContact CD2-CG 4.13Å; F80-F93 HydrophobicContact CE2-CB 3.86Å; F80-F93 AromaticContact CE2-CD1 3.96Å; F80-F93 HydrophobicContact CE2-CD1 3.96Å; F80-F93 AromaticContact CE2-CD2 3.8Å; F80-F93 HydrophobicContact CE2-CD2 3.8Å; F80-F93 HydrophobicContact CE2-CE1 4.43Å; F80-F93 HydrophobicContact CE2-CE2 4.29Å; F80-F93 AromaticContact CE2-CG 3.6Å; F80-F93 HydrophobicContact CE2-CG 3.6Å; T81-F93 HydrophobicContact CG2-CE1 3.85Å; T81-F93 HydrophobicContact CG2-CZ 4.03Å; C84-F93 HydrophobicContact CB-CD1 3.99Å; C84-F93 HydrophobicContact CB-CE1 3.71Å; P91-F93 HydrophobicContact CB-CE1 4.27Å; P91-F93 HydrophobicContact CB-CE2 4.09Å; P91-F93 HydrophobicContact CB-CZ 3.7Å; P91-F93 HydrophobicContact CG-CE2 4.34Å; P91-F93 HydrophobicContact CG-CZ 4.2Å; F93-A95 PolarHBondContact O-N 3.4Å; F93-A96 VanDerWaalsContact O-CB 3.28Å; F93-A96 WeakPolarHBondContact O-CB 3.5Å; F93-A96 PolarHBondContact O-N 2.83Å
94H95.9Very high96.7Very high122 Ų12279.2 Ų79.257%0.56544%0.435SS*.THydrogen-bonded Turntrans-58.8-18.1179.669.9-81.7000114.7D92 A96D92-H94 IonicContact OD1-CE1 3.82Å; D92-H94 IonicContact OD1-CG 3.48Å; D92-H94 PolarHBondContact OD1-N 3.27Å; D92-H94 IonicContact OD1-ND1 2.71Å; D92-H94 PolarHBondContact OD1-ND1 3.07Å; D92-H94 IonicContact OD2-ND1 3.63Å; H94-A96 VanDerWaalsContact C-N 3.35Å
95A96Very high96.8Very high24 Ų2479.1 Ų79.120%0.19843%0.43CS..THydrogen-bonded Turntrans-80.4-12.3174.200000113.4S34 A35 Q83 I85 F93S34-A95 CarbonylContact C-O 3.51Å; S34-A95 VanDerWaalsContact CA-O 3.23Å; S34-A95 WeakPolarHBondContact CA-O 3.32Å; S34-A95 PolarHBondContact OG-O 3.31Å; S34-A95 VanDerWaalsContact OG-O 3.06Å; A35-A95 PolarHBondContact N-O 3.12Å; Q83-A95 HydrophobicContact CB-CB 4.38Å; I85-A95 HydrophobicContact CD1-CB 4.03Å; F93-A95 PolarHBondContact O-N 3.4Å
96A97.8Very high97Very high14 Ų1475.5 Ų75.512%0.11641%0.412CS..BIsolated β-bridgetrans-72.5146.1175.700000111.5F80 Q83 F93 H94F80-A96 HydrophobicContact CB-CB 4.21Å; F80-A96 HydrophobicContact CD2-CB 4.18Å; Q83-A96 HydrophobicContact CB-CB 3.99Å; Q83-A96 HydrophobicContact CG-CB 4.46Å; F93-A96 VanDerWaalsContact O-CB 3.28Å; F93-A96 WeakPolarHBondContact O-CB 3.5Å; F93-A96 PolarHBondContact O-N 2.83Å; H94-A96 VanDerWaalsContact C-N 3.35Å
97M98.1Very high97.1Very high20 Ų2072.6 Ų72.610%0.09940%0.401CS..PPolyproline II helixtrans-65133.9170.7-174.3177.1-75.800110.2I33 S34 D37 L101 A102 F105I33-M97 HydrophobicContact CB-CB 4.37Å; I33-M97 HydrophobicContact CG2-CB 3.92Å; I33-M97 HydrophobicContact CG2-CE 3.68Å; I33-M97 HydrophobicContact CG2-CG 4.5Å; I33-M97 HydrophobicContact CG2-SD 3.8Å; I33-M97 PolarHBondContact O-N 3.18Å; S34-M97 WeakPolarHBondContact O-CE 3.24Å; D37-M97 HydrophobicContact CB-CE 4.5Å; M97-L101 HydrophobicContact CG-CB 3.79Å; M97-L101 HydrophobicContact SD-CB 3.86Å; M97-A102 HydrophobicContact CB-CB 4.02Å; M97-A102 HydrophobicContact CG-CB 3.96Å; M97-A102 HydrophobicContact SD-CB 4.17Å; M97-F105 HydrophobicContact CE-CD2 4Å; M97-F105 HydrophobicContact CE-CE2 4.17Å; M97-F105 HydrophobicContact CE-CG 4.23Å; M97-F105 HydrophobicContact SD-CB 4Å; M97-F105 HydrophobicContact SD-CD2 4.3Å; M97-F105 HydrophobicContact SD-CG 4.12Å
98P97.7Very high97.3Very high66 Ų6668.4 Ų68.443%0.42939%0.388SS..PPolyproline II helixtrans-55.4146.4175-26.635000112.4E100 L101 A102P98-E100 WeakPolarHBondContact CB-OE2 3.42Å; P98-E100 PolarHBondContact O-N 2.95Å; P98-E100 VanDerWaalsContact O-N 3.17Å; P98-L101 PolarHBondContact O-N 3.15Å; P98-A102 VanDerWaalsContact O-CB 3.27Å; P98-A102 WeakPolarHBondContact O-CB 3.43Å; P98-A102 PolarHBondContact O-N 2.86Å
99A96.4Very high97.5Very high55 Ų5565.5 Ų65.546%0.45536%0.358SS..Hα-helixtrans-57.9-36.3-170.300000113.3L101 A102 Q103A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.46Å; A99-A102 PolarHBondContact O-N 2.81Å; A99-Q103 WeakPolarHBondContact O-CB 3.35Å; A99-Q103 PolarHBondContact O-N 2.97Å
100E97.1Very high97.6Very high146 Ų14657.6 Ų57.668%0.68232%0.316SS*.Hα-helixtrans-65-30.9-179-55.674.4-164.100112.3P98 P104P98-E100 WeakPolarHBondContact CB-OE2 3.42Å; P98-E100 PolarHBondContact O-N 2.95Å; P98-E100 VanDerWaalsContact O-N 3.17Å; E100-P104 VanDerWaalsContact O-CD 3.29Å; E100-P104 WeakPolarHBondContact O-CD 3.39Å
101L97.7Very high97.7Very high108 Ų10854.8 Ų54.857%0.56531%0.305SS*.Hα-helixtrans-93.2-38.2175.4-60.5178.5000111.1M97 P98 A99 Q103 P104 F105M97-L101 HydrophobicContact CG-CB 3.79Å; M97-L101 HydrophobicContact SD-CB 3.86Å; P98-L101 PolarHBondContact O-N 3.15Å; A99-L101 VanDerWaalsContact C-N 3.28Å; A99-L101 PolarHBondContact O-N 3.46Å; L101-Q103 PolarHBondContact O-N 3.26Å; L101-P104 VanDerWaalsContact O-CD 3.31Å; L101-P104 WeakPolarHBondContact O-CD 3.42Å; L101-P104 WeakPolarHBondContact O-CG 3.41Å; L101-F105 VanDerWaalsContact O-CB 3.25Å; L101-F105 WeakPolarHBondContact O-CB 3.34Å; L101-F105 PolarHBondContact O-N 3Å
102A97.8Very high97.8Very high9 Ų953.6 Ų53.67%0.07430%0.298CS..Hα-helixtrans-67.7-32.9-177.400000112.7M97 P98 A99 Y106 F127M97-A102 HydrophobicContact CB-CB 4.02Å; M97-A102 HydrophobicContact CG-CB 3.96Å; M97-A102 HydrophobicContact SD-CB 4.17Å; P98-A102 VanDerWaalsContact O-CB 3.27Å; P98-A102 WeakPolarHBondContact O-CB 3.43Å; P98-A102 PolarHBondContact O-N 2.86Å; A99-A102 PolarHBondContact O-N 2.81Å; A102-Y106 WeakPolarHBondContact O-CB 3.49Å; A102-Y106 PolarHBondContact O-N 3.19Å; A102-F127 HydrophobicContact CB-CE2 4.36Å; A102-F127 HydrophobicContact CB-CZ 3.9Å
103Q98.1Very high97.9Very high107 Ų10751.7 Ų51.750%0.529%0.288SS..Hα-helixtrans-62.1-58.4177.7-173.7176.75.500112.6A99 L101 F105 Y106 S107 F127A99-Q103 WeakPolarHBondContact O-CB 3.35Å; A99-Q103 PolarHBondContact O-N 2.97Å; L101-Q103 PolarHBondContact O-N 3.26Å; Q103-F105 VanDerWaalsContact C-N 3.3Å; Q103-F105 PolarHBondContact O-N 3.41Å; Q103-Y106 PolarHBondContact O-N 2.78Å; Q103-S107 PolarHBondContact O-N 2.92Å; Q103-S107 PolarHBondContact O-OG 2.99Å; Q103-S107 VanDerWaalsContact O-OG 3.04Å; Q103-F127 HydrophobicContact CB-CD1 3.79Å; Q103-F127 HydrophobicContact CB-CE1 3.58Å; Q103-F127 HydrophobicContact CB-CG 4.38Å; Q103-F127 HydrophobicContact CB-CZ 3.97Å; Q103-F127 HydrophobicContact CG-CD1 3.77Å; Q103-F127 HydrophobicContact CG-CE1 4.11Å; Q103-F127 HydrophobicContact CG-CG 4.14Å
104P98.3Very high97.9Very high77 Ų7751.5 Ų51.550%0.529%0.285SS..Hα-helixtrans-64.5-33.417824.8-33.9000112.7E100 L101 S107 S108E100-P104 VanDerWaalsContact O-CD 3.29Å; E100-P104 WeakPolarHBondContact O-CD 3.39Å; L101-P104 VanDerWaalsContact O-CD 3.31Å; L101-P104 WeakPolarHBondContact O-CD 3.42Å; L101-P104 WeakPolarHBondContact O-CG 3.41Å; P104-S107 PolarHBondContact O-N 3.05Å; P104-S108 PolarHBondContact O-N 2.91Å
105F98.4Very high98.1Very high37 Ų3750.2 Ų50.216%0.16229%0.29CS..Hα-helixtrans-68.2-40.1176.8-161.9-76.4000112.2M1 I33 D37 A42 M97 L101 Q103 S108 I109M1-F105 HydrophobicContact CE-CE1 3.74Å; I33-F105 HydrophobicContact CD1-CD1 4.03Å; I33-F105 HydrophobicContact CG2-CD1 3.97Å; I33-F105 HydrophobicContact CG2-CE1 4.1Å; D37-F105 HydrophobicContact CB-CE1 4.47Å; D37-F105 HydrophobicContact CB-CZ 4.27Å; A42-F105 HydrophobicContact CB-CE1 4.26Å; M97-F105 HydrophobicContact CE-CD2 4Å; M97-F105 HydrophobicContact CE-CE2 4.17Å; M97-F105 HydrophobicContact CE-CG 4.23Å; M97-F105 HydrophobicContact SD-CB 4Å; M97-F105 HydrophobicContact SD-CD2 4.3Å; M97-F105 HydrophobicContact SD-CG 4.12Å; L101-F105 VanDerWaalsContact O-CB 3.25Å; L101-F105 WeakPolarHBondContact O-CB 3.34Å; L101-F105 PolarHBondContact O-N 3Å; Q103-F105 VanDerWaalsContact C-N 3.3Å; Q103-F105 PolarHBondContact O-N 3.41Å; F105-S108 PolarHBondContact O-N 3.06Å; F105-S108 PolarHBondContact O-OG 2.88Å; F105-I109 HydrophobicContact CD1-CD1 3.78Å; F105-I109 HydrophobicContact CD1-CG1 4.31Å; F105-I109 HydrophobicContact CE1-CD1 3.88Å; F105-I109 HydrophobicContact CE1-CG1 4.4Å; F105-I109 WeakPolarHBondContact O-CG1 3.12Å; F105-I109 PolarHBondContact O-N 3.06Å; F105-I109 VanDerWaalsContact O-N 3.14Å
106Y98.7Very high98.2Very high1 Ų151.9 Ų51.90%0.00430%0.304CS..Hα-helixtrans-65.2-41.3172.8177.7-106.5000111.5L31 I33 C76 V77 S78 A102 Q103 S108 I109 L110 D124 F127L31-Y106 HydrophobicContact CD2-CD2 4.08Å; L31-Y106 HydrophobicContact CD2-CE2 4.09Å; I33-Y106 HydrophobicContact CD1-CD2 4.36Å; C76-Y106 VanDerWaalsContact C-OH 3.26Å; C76-Y106 PolarHBondContact O-OH 2.86Å; C76-Y106 VanDerWaalsContact O-OH 3.05Å; V77-Y106 PolarHBondContact N-OH 2.8Å; S78-Y106 PolarHBondContact N-OH 2.62Å; A102-Y106 WeakPolarHBondContact O-CB 3.49Å; A102-Y106 PolarHBondContact O-N 3.19Å; Q103-Y106 PolarHBondContact O-N 2.78Å; Y106-S108 VanDerWaalsContact C-N 3.34Å; Y106-S108 PolarHBondContact O-N 3.04Å; Y106-I109 WeakPolarHBondContact O-CB 3.25Å; Y106-I109 PolarHBondContact O-N 2.59Å; Y106-L110 HydrophobicContact CD1-CD1 4.08Å; Y106-L110 HydrophobicContact CE1-CD1 3.52Å; Y106-L110 HydrophobicContact CE1-CG 4.12Å; Y106-L110 HydrophobicContact CE2-CG 4.5Å; Y106-L110 PolarHBondContact O-N 2.88Å; Y106-D124 WeakPolarHBondContact CE1-OD1 3.37Å; Y106-D124 PolarHBondContact OH-OD1 2.8Å; Y106-F127 AromaticContact CD1-CD2 3.67Å; Y106-F127 HydrophobicContact CD1-CD2 3.67Å; Y106-F127 HydrophobicContact CD1-CE2 4.4Å; Y106-F127 HydrophobicContact CE1-CD2 4.32Å; Y106-F127 HydrophobicContact CG-CD2 4.04Å; Y106-F127 HydrophobicContact CG-CE2 4.34Å
107S98.4Very high98.2Very high60 Ų6053 Ų5342%0.4231%0.306SS..Hα-helixtrans-60.5-39.9174.6-58.70000112.7Q103 P104 L110 E111Q103-S107 PolarHBondContact O-N 2.92Å; Q103-S107 PolarHBondContact O-OG 2.99Å; Q103-S107 VanDerWaalsContact O-OG 3.04Å; P104-S107 PolarHBondContact O-N 3.05Å; S107-L110 PolarHBondContact O-N 3.19Å; S107-E111 PolarHBondContact O-N 3.05Å
108S98.5Very high98.2Very high40 Ų4056.2 Ų56.228%0.2832%0.316SS..Hα-helixtrans-70.2-31176.774.90000113P104 F105 Y106 S112P104-S108 PolarHBondContact O-N 2.91Å; F105-S108 PolarHBondContact O-N 3.06Å; F105-S108 PolarHBondContact O-OG 2.88Å; Y106-S108 VanDerWaalsContact C-N 3.34Å; Y106-S108 PolarHBondContact O-N 3.04Å; S108-S112 WeakPolarHBondContact O-CB 3.27Å; S108-S112 PolarHBondContact O-N 3.45Å; S108-S112 PolarHBondContact O-OG 3.3Å
109I98.6Very high98.2Very high0 Ų056.8 Ų56.80%032%0.32CS..Hα-helixtrans-63.6-48.5170.5-67.3166.5000110.7M1 L31 I33 A42 V46 F105 Y106 E111 S112 M113M1-I109 HydrophobicContact CE-CD1 3.59Å; M1-I109 HydrophobicContact SD-CD1 4.08Å; L31-I109 HydrophobicContact CD2-CD1 3.99Å; L31-I109 HydrophobicContact CD2-CG2 3.83Å; I33-I109 HydrophobicContact CD1-CD1 4.06Å; I33-I109 HydrophobicContact CG1-CD1 4.29Å; A42-I109 HydrophobicContact CB-CD1 4.27Å; A42-I109 HydrophobicContact CB-CG1 3.69Å; V46-I109 HydrophobicContact CG2-CG2 3.9Å; F105-I109 HydrophobicContact CD1-CD1 3.78Å; F105-I109 HydrophobicContact CD1-CG1 4.31Å; F105-I109 HydrophobicContact CE1-CD1 3.88Å; F105-I109 HydrophobicContact CE1-CG1 4.4Å; F105-I109 WeakPolarHBondContact O-CG1 3.12Å; F105-I109 PolarHBondContact O-N 3.06Å; F105-I109 VanDerWaalsContact O-N 3.14Å; Y106-I109 WeakPolarHBondContact O-CB 3.25Å; Y106-I109 PolarHBondContact O-N 2.59Å; I109-E111 VanDerWaalsContact C-N 3.3Å; I109-E111 PolarHBondContact O-N 3.11Å; I109-S112 WeakPolarHBondContact O-CB 3.36Å; I109-S112 PolarHBondContact O-N 2.85Å; I109-M113 HydrophobicContact CG2-CE 3.86Å; I109-M113 WeakPolarHBondContact O-CG 3.3Å; I109-M113 PolarHBondContact O-N 3.23Å
110L98.7Very high98.3Very high3 Ų359.5 Ų59.52%0.01632%0.323CS..Hα-helixtrans-58.8-43.6177.3-71.1176.7000111.6C76 Y106 S107 S112 M113 R114 I122 D124C76-L110 HydrophobicContact CB-CD2 3.7Å; Y106-L110 HydrophobicContact CD1-CD1 4.08Å; Y106-L110 HydrophobicContact CE1-CD1 3.52Å; Y106-L110 HydrophobicContact CE1-CG 4.12Å; Y106-L110 HydrophobicContact CE2-CG 4.5Å; Y106-L110 PolarHBondContact O-N 2.88Å; S107-L110 PolarHBondContact O-N 3.19Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.19Å; L110-M113 WeakPolarHBondContact O-CB 3.47Å; L110-M113 PolarHBondContact O-N 3.42Å; L110-M113 VanDerWaalsContact O-N 3.11Å; L110-R114 WeakPolarHBondContact O-CG 3.49Å; L110-R114 PolarHBondContact O-N 3.06Å; L110-I122 HydrophobicContact CD2-CG2 4.31Å; L110-D124 HydrophobicContact CD1-CB 3.9Å; L110-D124 VanDerWaalsContact CD1-OD2 3.31Å; L110-D124 WeakPolarHBondContact CD1-OD2 3.44Å
111E98.6Very high98.4Very high92 Ų9253.9 Ų53.943%0.4330%0.298SS..Hα-helixtrans-67.4-34179-160.952.2-138.900112.4S107 I109 M113 R114 S115S107-E111 PolarHBondContact O-N 3.05Å; I109-E111 VanDerWaalsContact C-N 3.3Å; I109-E111 PolarHBondContact O-N 3.11Å; E111-M113 VanDerWaalsContact C-N 3.35Å; E111-R114 PolarHBondContact O-N 3.3Å; E111-R114 IonicContact OE2-CZ 2.72Å; E111-R114 IonicContact OE2-NH1 3.92Å; E111-R114 PolarHBondContact OE2-NH1 3.28Å; E111-S115 VanDerWaalsContact O-CB 3.31Å; E111-S115 WeakPolarHBondContact O-CB 3.2Å; E111-S115 PolarHBondContact O-N 3.01Å; E111-S115 PolarHBondContact O-OG 3.34Å
112S98.6Very high98.4Very high37 Ų3749 Ų4926%0.25927%0.272SS..Hα-helixtrans-64.7-36.9170.6-58.40000112S108 I109 L110 A116S108-S112 WeakPolarHBondContact O-CB 3.27Å; S108-S112 PolarHBondContact O-N 3.45Å; S108-S112 PolarHBondContact O-OG 3.3Å; I109-S112 WeakPolarHBondContact O-CB 3.36Å; I109-S112 PolarHBondContact O-N 2.85Å; L110-S112 VanDerWaalsContact C-N 3.3Å; L110-S112 PolarHBondContact O-N 3.19Å; S112-A116 WeakPolarHBondContact O-CB 3.23Å; S112-A116 PolarHBondContact O-N 3.09Å; S112-A116 VanDerWaalsContact O-N 3.07Å
113M98.8Very high98.5Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-67-44.2173.1-67.8-177.2178.800112V46 I49 I109 L110 E111 A116 Y117 I122V46-M113 HydrophobicContact CB-CG 4.41Å; V46-M113 HydrophobicContact CG1-CG 4Å; V46-M113 HydrophobicContact CG2-CE 4.3Å; V46-M113 HydrophobicContact CG2-CG 3.86Å; I49-M113 HydrophobicContact CD1-CE 3.46Å; I49-M113 VanDerWaalsContact CD1-CE 3.46Å; I49-M113 HydrophobicContact CG2-CE 4.48Å; I109-M113 HydrophobicContact CG2-CE 3.86Å; I109-M113 WeakPolarHBondContact O-CG 3.3Å; I109-M113 PolarHBondContact O-N 3.23Å; L110-M113 WeakPolarHBondContact O-CB 3.47Å; L110-M113 PolarHBondContact O-N 3.42Å; L110-M113 VanDerWaalsContact O-N 3.11Å; E111-M113 VanDerWaalsContact C-N 3.35Å; M113-A116 PolarHBondContact O-N 3.2Å; M113-Y117 PolarHBondContact O-N 2.9Å; M113-I122 HydrophobicContact CB-CD1 4.01Å; M113-I122 HydrophobicContact CB-CG1 4.1Å; M113-I122 HydrophobicContact CB-CG2 4.14Å
114R98.6Very high98.5Very high64 Ų6448.5 Ų48.524%0.24227%0.269CS..Hα-helixtrans-60.2-47177-69.2-175.6-169.6118.24.7111.3L110 E111 A116 Y117 P119 I122L110-R114 WeakPolarHBondContact O-CG 3.49Å; L110-R114 PolarHBondContact O-N 3.06Å; E111-R114 PolarHBondContact O-N 3.3Å; E111-R114 IonicContact OE2-CZ 2.72Å; E111-R114 IonicContact OE2-NH1 3.92Å; E111-R114 PolarHBondContact OE2-NH1 3.28Å; R114-A116 VanDerWaalsContact C-N 3.32Å; R114-A116 PolarHBondContact O-N 3.5Å; R114-Y117 PolarHBondContact O-N 3.01Å; R114-P119 HydrophobicContact CB-CB 4.07Å; R114-P119 HydrophobicContact CB-CG 4.19Å; R114-P119 HydrophobicContact CG-CB 4.25Å; R114-I122 HydrophobicContact CG-CB 3.86Å; R114-I122 HydrophobicContact CG-CG1 4.12Å; R114-I122 HydrophobicContact CG-CG2 4.09Å
115S98.4Very high98.4Very high95 Ų9545.5 Ų45.566%0.66425%0.251SS*.Hα-helixtrans-65.1-32.1178.9-61.40000113.4E111E111-S115 VanDerWaalsContact O-CB 3.31Å; E111-S115 WeakPolarHBondContact O-CB 3.2Å; E111-S115 PolarHBondContact O-N 3.01Å; E111-S115 PolarHBondContact O-OG 3.34Å
116A98.4Very high98.3Very high59 Ų5948.6 Ų48.649%0.48827%0.265SS..Hα-helixtrans-88.6-6-178.100000114.4V46 L50 S112 M113 R114V46-A116 HydrophobicContact CG1-CB 4.26Å; L50-A116 HydrophobicContact CD1-CB 3.75Å; S112-A116 WeakPolarHBondContact O-CB 3.23Å; S112-A116 PolarHBondContact O-N 3.09Å; S112-A116 VanDerWaalsContact O-N 3.07Å; M113-A116 PolarHBondContact O-N 3.2Å; R114-A116 VanDerWaalsContact C-N 3.32Å; R114-A116 PolarHBondContact O-N 3.5Å
117Y98.6Very high98.2Very high38 Ų3851 Ų5115%0.14928%0.275CS..SBendtrans-140.8-104.9-176.1179.4-144.8000112L50 V67 M68 E71 L72 M113 R114 L121 I122L50-Y117 HydrophobicContact CD2-CD1 4.03Å; L50-Y117 HydrophobicContact CD2-CG 4.3Å; V67-Y117 PolarHBondContact O-OH 2.85Å; M68-Y117 HydrophobicContact CB-CD2 4.02Å; M68-Y117 HydrophobicContact CB-CE2 3.84Å; M68-Y117 HydrophobicContact CG-CD1 4.34Å; M68-Y117 HydrophobicContact CG-CD2 3.49Å; M68-Y117 VanDerWaalsContact CG-CD2 3.49Å; M68-Y117 HydrophobicContact CG-CE2 3.72Å; M68-Y117 HydrophobicContact CG-CG 3.82Å; M68-Y117 HydrophobicContact SD-CD2 3.91Å; M68-Y117 HydrophobicContact SD-CG 4.13Å; E71-Y117 VanDerWaalsContact CA-OH 3.24Å; E71-Y117 WeakPolarHBondContact CA-OH 3.11Å; L72-Y117 PolarHBondContact N-OH 2.87Å; L72-Y117 WeakPolarHBondContact O-CE1 3.31Å; L72-Y117 PolarHBondContact O-OH 2.6Å; M113-Y117 PolarHBondContact O-N 2.9Å; R114-Y117 PolarHBondContact O-N 3.01Å; Y117-L121 HydrophobicContact CD1-CB 4.4Å; Y117-L121 HydrophobicContact CE1-CB 3.81Å; Y117-L121 HydrophobicContact CE1-CD1 3.89Å; Y117-L121 HydrophobicContact CE2-CD1 4.28Å; Y117-L121 VanDerWaalsContact OH-CD1 3.29Å; Y117-L121 WeakPolarHBondContact OH-CD1 3.46Å; Y117-I122 HydrophobicContact CD1-CD1 3.85Å
118R97.9Very high97.8Very high87 Ų8751.6 Ų51.633%0.32829%0.291SS..  trans-143.1117.5178.2-72.9-167.5-172.8159.97108.9E71 E120 L121E71-R118 IonicContact OE1-CZ 3.46Å; E71-R118 IonicContact OE1-NH1 2.71Å; E71-R118 IonicContact OE1-NH2 3.56Å; E71-R118 PolarHBondContact OE1-NH2 3.24Å; E71-R118 IonicContact OE2-CZ 2.83Å; E71-R118 IonicContact OE2-NH1 3.3Å; E71-R118 PolarHBondContact OE2-NH1 2.78Å; E71-R118 IonicContact OE2-NH2 3.44Å; E71-R118 PolarHBondContact OE2-NH2 3.36Å; R118-E120 WeakPolarHBondContact CD-OE1 3.43Å; R118-E120 PolarHBondContact O-N 2.89Å; R118-L121 HydrophobicContact CB-CB 4.27Å; R118-L121 HydrophobicContact CB-CD1 4.01Å; R118-L121 HydrophobicContact CB-CG 4.01Å; R118-L121 HydrophobicContact CG-CD1 4.42Å; R118-L121 PolarHBondContact O-N 2.9Å; R118-L121 VanDerWaalsContact O-N 3.07Å
119P98.3Very high97.6Very high77 Ų7751 Ų5150%0.529%0.289SS..G310 helixtrans-54.6-36.9-173.8-28.535.3000114.6R114 L121 I122R114-P119 HydrophobicContact CB-CB 4.07Å; R114-P119 HydrophobicContact CB-CG 4.19Å; R114-P119 HydrophobicContact CG-CB 4.25Å; P119-L121 VanDerWaalsContact C-N 3.33Å; P119-L121 PolarHBondContact O-N 3.4Å; P119-I122 PolarHBondContact O-N 3.19Å
120E98.2Very high97.4Very high113 Ų11356 Ų5653%0.52832%0.324SS..G310 helixtrans-71-22.9-178.770.7-77.5-174.400113.9R118 K123R118-E120 WeakPolarHBondContact CD-OE1 3.43Å; R118-E120 PolarHBondContact O-N 2.89Å; E120-K123 PolarHBondContact O-NZ 3.31Å
121L98.6Very high97.4Very high27 Ų2757.7 Ų57.714%0.14133%0.332CS..G310 helixtrans-92-7.8178.9-58.4-176.6000113.1E73 V74 Y117 R118 P119E73-L121 HydrophobicContact CG-CD2 3.88Å; V74-L121 PolarHBondContact N-O 2.84Å; Y117-L121 HydrophobicContact CD1-CB 4.4Å; Y117-L121 HydrophobicContact CE1-CB 3.81Å; Y117-L121 HydrophobicContact CE1-CD1 3.89Å; Y117-L121 HydrophobicContact CE2-CD1 4.28Å; Y117-L121 VanDerWaalsContact OH-CD1 3.29Å; Y117-L121 WeakPolarHBondContact OH-CD1 3.46Å; R118-L121 HydrophobicContact CB-CB 4.27Å; R118-L121 HydrophobicContact CB-CD1 4.01Å; R118-L121 HydrophobicContact CB-CG 4.01Å; R118-L121 HydrophobicContact CG-CD1 4.42Å; R118-L121 PolarHBondContact O-N 2.9Å; R118-L121 VanDerWaalsContact O-N 3.07Å; P119-L121 VanDerWaalsContact C-N 3.33Å; P119-L121 PolarHBondContact O-N 3.4Å
122I98.8Very high97.3Very high6 Ų659.3 Ų59.33%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-97.9106175.1-55.3-58000109.8L50 V74 L110 M113 R114 Y117 P119L50-I122 HydrophobicContact CD2-CD1 4.27Å; V74-I122 HydrophobicContact CB-CD1 3.71Å; V74-I122 HydrophobicContact CG1-CD1 4.31Å; V74-I122 HydrophobicContact CG2-CD1 3.79Å; L110-I122 HydrophobicContact CD2-CG2 4.31Å; M113-I122 HydrophobicContact CB-CD1 4.01Å; M113-I122 HydrophobicContact CB-CG1 4.1Å; M113-I122 HydrophobicContact CB-CG2 4.14Å; R114-I122 HydrophobicContact CG-CB 3.86Å; R114-I122 HydrophobicContact CG-CG1 4.12Å; R114-I122 HydrophobicContact CG-CG2 4.09Å; Y117-I122 HydrophobicContact CD1-CD1 3.85Å; P119-I122 PolarHBondContact O-N 3.19Å
123K98.8Very high97.3Very high62 Ų6259.5 Ų59.527%0.2734%0.339SS..EExtended strand (participates in β ladder)trans-98.5148.5173.1-45.5-55.4-170.8-166.80111.3S21 I23 E73 V74 L75 C76 E120S21-K123 WeakPolarHBondContact OG-CB 3.18Å; I23-K123 HydrophobicContact CG2-CB 4.03Å; I23-K123 HydrophobicContact CG2-CG 3.32Å; E73-K123 WeakPolarHBondContact OE1-CE 3.38Å; E73-K123 IonicContact OE1-NZ 3.86Å; E73-K123 PolarHBondContact OE1-NZ 3.3Å; V74-K123 PolarHBondContact O-N 3.24Å; L75-K123 HydrophobicContact CD1-CB 3.96Å; C76-K123 PolarHBondContact N-O 3.04Å; E120-K123 PolarHBondContact O-NZ 3.31Å
124D98.3Very high97.3Very high44 Ų4463.7 Ų63.724%0.23536%0.362CS..EExtended strand (participates in β ladder)trans-104.9166.6173.2-168.49.7000110.2S21 C76 Y106 L110S21-D124 WeakPolarHBondContact CB-O 3.36Å; S21-D124 PolarHBondContact OG-O 3Å; C76-D124 CarbonylContact O-C 3.53Å; C76-D124 WeakPolarHBondContact O-CA 3.31Å; Y106-D124 WeakPolarHBondContact CE1-OD1 3.37Å; Y106-D124 PolarHBondContact OH-OD1 2.8Å; L110-D124 HydrophobicContact CD1-CB 3.9Å; L110-D124 VanDerWaalsContact CD1-OD2 3.31Å; L110-D124 WeakPolarHBondContact CD1-OD2 3.44Å
125G95.9Very high97.3Very high13 Ų1363.2 Ų63.213%0.13436%0.363CS..  trans-85.7-135.8154.900000110.9C76C76-G125 PolarHBondContact O-N 3.39Å; C76-G125 VanDerWaalsContact O-N 3.12Å
126K96.4Very high97.3Very high102 Ų10263.6 Ų63.644%0.44336%0.355SS..  trans-136.4100.5173.3-169.6172.4-172.2169.40109V15 V20 G128 A129 M131V15-K126 HydrophobicContact CG1-CD 4.45Å; V15-K126 HydrophobicContact CG2-CB 4.09Å; V15-K126 HydrophobicContact CG2-CD 4.1Å; V20-K126 HydrophobicContact CG1-CD 4.47Å; V20-K126 HydrophobicContact CG2-CB 4.48Å; K126-G128 PolarHBondContact O-N 3.1Å; K126-A129 HydrophobicContact CB-CB 3.98Å; K126-A129 HydrophobicContact CD-CB 4.1Å; K126-A129 HydrophobicContact CG-CB 3.92Å; K126-A129 WeakPolarHBondContact O-CB 3.4Å; K126-A129 PolarHBondContact O-N 2.75Å; K126-A129 VanDerWaalsContact O-N 3.09Å; K126-M131 HydrophobicContact CB-SD 4.5Å; K126-M131 PolarHBondContact N-SD 2.91Å
127F96Very high97.3Very high52 Ų5262.8 Ų62.823%0.22834%0.342CS..THydrogen-bonded Turntrans-51.6134.2-175.5-170.2-82000111.8S78 A102 Q103 Y106 A129S78-F127 WeakPolarHBondContact OG-CD2 3.22Å; A102-F127 HydrophobicContact CB-CE2 4.36Å; A102-F127 HydrophobicContact CB-CZ 3.9Å; Q103-F127 HydrophobicContact CB-CD1 3.79Å; Q103-F127 HydrophobicContact CB-CE1 3.58Å; Q103-F127 HydrophobicContact CB-CG 4.38Å; Q103-F127 HydrophobicContact CB-CZ 3.97Å; Q103-F127 HydrophobicContact CG-CD1 3.77Å; Q103-F127 HydrophobicContact CG-CE1 4.11Å; Q103-F127 HydrophobicContact CG-CG 4.14Å; Y106-F127 AromaticContact CD1-CD2 3.67Å; Y106-F127 HydrophobicContact CD1-CD2 3.67Å; Y106-F127 HydrophobicContact CD1-CE2 4.4Å; Y106-F127 HydrophobicContact CE1-CD2 4.32Å; Y106-F127 HydrophobicContact CG-CD2 4.04Å; Y106-F127 HydrophobicContact CG-CE2 4.34Å; F127-A129 PolarHBondContact O-N 3.37Å; F127-A129 VanDerWaalsContact O-N 3.16Å
128G91Very high97.3Very high72 Ų7262.6 Ų62.674%0.74234%0.343SS*.THydrogen-bonded Turntrans73.2-6.8179.400000116K126K126-G128 PolarHBondContact O-N 3.1Å
129A94.6Very high97Very high29 Ų2961.4 Ų61.424%0.2436%0.359CS..SBendtrans-81.9152.7175.800000112.2V15 K126 F127 M131V15-A129 HydrophobicContact CG1-CB 4.01Å; V15-A129 HydrophobicContact CG2-CB 4.07Å; K126-A129 HydrophobicContact CB-CB 3.98Å; K126-A129 HydrophobicContact CD-CB 4.1Å; K126-A129 HydrophobicContact CG-CB 3.92Å; K126-A129 WeakPolarHBondContact O-CB 3.4Å; K126-A129 PolarHBondContact O-N 2.75Å; K126-A129 VanDerWaalsContact O-N 3.09Å; F127-A129 PolarHBondContact O-N 3.37Å; F127-A129 VanDerWaalsContact O-N 3.16Å; A129-M131 HydrophobicContact CB-CG 4.37Å; A129-M131 PolarHBondContact O-N 3.09Å
130S94.7Very high96.9Very high105 Ų10562.8 Ų62.873%0.73437%0.367SS*.  trans-72.3112.9164-170.10000108.7
131M97.3Very high96.9Very high38 Ų3858.1 Ų58.119%0.18735%0.347CS..  trans-114.3135.9-172.2-72.7175.9-75.400111V13 T14 V15 V77 K126 A129 V133V13-M131 HydrophobicContact CG1-CB 3.89Å; V13-M131 HydrophobicContact CG1-CG 3.62Å; V13-M131 HydrophobicContact CG1-SD 3.63Å; T14-M131 WeakPolarHBondContact O-CA 3.49Å; V15-M131 HydrophobicContact CG2-CG 3.86Å; V77-M131 HydrophobicContact CG1-CE 3.71Å; V77-M131 HydrophobicContact CG1-SD 3.95Å; K126-M131 HydrophobicContact CB-SD 4.5Å; K126-M131 PolarHBondContact N-SD 2.91Å; A129-M131 HydrophobicContact CB-CG 4.37Å; A129-M131 PolarHBondContact O-N 3.09Å; M131-V133 HydrophobicContact CB-CG2 4.07Å
132Q98.2Very high96.9Very high125 Ų12560.6 Ų60.658%0.58436%0.363SS*.EExtended strand (participates in β ladder)trans-91.5113.3158.5-61.1-57.7-38.500107.7V13 T14V13-Q132 WeakPolarHBondContact CA-O 3.4Å; T14-Q132 PolarHBondContact N-O 2.95Å; T14-Q132 PolarHBondContact O-N 3.09Å
133V98.4Very high96.9Very high42 Ų4262.2 Ų62.226%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-104.2103.9-179.8-170.10000108.5S12 V13 V77 M131 I135S12-V133 CarbonylContact O-C 3.48Å; S12-V133 WeakPolarHBondContact O-CA 3.36Å; V13-V133 HydrophobicContact CG2-CG1 4.41Å; V13-V133 HydrophobicContact CG2-CG2 4.47Å; V77-V133 HydrophobicContact CG1-CG2 4.26Å; V77-V133 HydrophobicContact CG2-CG1 4.35Å; M131-V133 HydrophobicContact CB-CG2 4.07Å; V133-I135 HydrophobicContact CG1-CD1 3.96Å; V133-I135 HydrophobicContact CG1-CG1 3.82Å
134N98.6Very high96.9Very high88 Ų8864 Ų6447%0.47138%0.382SS..EExtended strand (participates in β ladder)trans-84123177.4-61.7-66000109.1A11 S12A11-N134 CarbonylContact C-O 3.55Å; A11-N134 WeakPolarHBondContact CA-O 3.29Å; A11-N134 WeakPolarHBondContact CB-O 3.31Å; S12-N134 PolarHBondContact N-O 3.04Å; S12-N134 PolarHBondContact O-N 2.86Å; S12-N134 PolarHBondContact OG-ND2 2.73Å
135I98.8Very high96.8Very high54 Ų5463 Ų6328%0.27738%0.377SS..EExtended strand (participates in β ladder)trans-128.7105.3-175.4-54-178000108.9Q6 V8 C28 V133 N137Q6-I135 HydrophobicContact CB-CG2 4.32Å; V8-I135 HydrophobicContact CG1-CG2 3.59Å; C28-I135 HydrophobicContact CB-CD1 4.45Å; C28-I135 HydrophobicContact CB-CG2 4.26Å; V133-I135 HydrophobicContact CG1-CD1 3.96Å; V133-I135 HydrophobicContact CG1-CG1 3.82Å; I135-N137 PolarHBondContact O-N 3.26Å
136Q98.7Very high96.9Very high103 Ų10366 Ų6648%0.48139%0.392SS..EExtended strand (participates in β ladder)trans-90.384.1172.2-167175-0.900109.6V8 T9 K10V8-Q136 VanDerWaalsContact CA-O 3.3Å; V8-Q136 WeakPolarHBondContact CA-O 3.41Å; V8-Q136 WeakPolarHBondContact CB-O 3.31Å; T9-Q136 PolarHBondContact N-O 2.83Å; T9-Q136 VanDerWaalsContact OG1-CD 3.29Å; T9-Q136 VanDerWaalsContact OG1-CG 3.3Å; T9-Q136 WeakPolarHBondContact OG1-CG 3.36Å; T9-Q136 PolarHBondContact OG1-O 3.11Å; K10-Q136 HydrophobicContact CG-CB 3.98Å; K10-Q136 WeakPolarHBondContact O-CB 3.49Å; K10-Q136 PolarHBondContact O-N 3.43Å
137N97.9Very high96.8Very high42 Ų4261.4 Ų61.423%0.22537%0.374CS..EExtended strand (participates in β ladder)trans-63131.9-175.9-163.8-41.2000111.6Q6 R7 I135 P140 V141 T142Q6-N137 PolarHBondContact OE1-ND2 2.85Å; R7-N137 CarbonylContact O-C 3.54Å; R7-N137 WeakPolarHBondContact O-CA 3.41Å; R7-N137 PolarHBondContact O-OD1 3.41Å; I135-N137 PolarHBondContact O-N 3.26Å; N137-P140 HydrophobicContact CB-CB 4.15Å; N137-P140 WeakPolarHBondContact OD1-CA 3.36Å; N137-P140 VanDerWaalsContact OD1-CB 3.23Å; N137-P140 WeakPolarHBondContact OD1-CB 3.33Å; N137-V141 PolarHBondContact OD1-N 3.41Å; N137-V141 PolarHBondContact OD1-O 3.04Å; N137-T142 PolarHBondContact ND2-OG1 2.88Å; N137-T142 VanDerWaalsContact ND2-OG1 3.14Å
138D97.8Very high96.3Very high33 Ų3362.5 Ų62.518%0.17639%0.386CS..EExtended strand (participates in β ladder)trans-101.3100.8-174.7175.50.3000109.9R7 T9 V141R7-D138 HydrophobicContact CB-CB 4.37Å; R7-D138 HydrophobicContact CG-CB 4.12Å; R7-D138 IonicContact CZ-OD1 3.66Å; R7-D138 IonicContact CZ-OD2 3.81Å; R7-D138 PolarHBondContact NE-O 2.82Å; R7-D138 IonicContact NE-OD1 3.69Å; R7-D138 IonicContact NE-OD2 3.43Å; R7-D138 PolarHBondContact NE-OD2 3.38Å; R7-D138 PolarHBondContact NH2-O 3.43Å; R7-D138 VanDerWaalsContact NH2-O 3.16Å; R7-D138 IonicContact NH2-OD1 2.87Å; R7-D138 PolarHBondContact NH2-OD1 2.66Å; R7-D138 IonicContact NH2-OD2 3.72Å; R7-D138 PolarHBondContact O-N 2.72Å; T9-D138 HydrophobicContact CG2-CB 3.97Å; D138-V141 PolarHBondContact O-N 2.8Å
139G91.9Very high95.3Very high63 Ų6363 Ų6365%0.64938%0.383SS*.EExtended strand (participates in β ladder)trans137.8-69.3178.600000113.5
140P95.4Very high93.6Very high105 Ų10565.3 Ų65.368%0.68240%0.402SS*.EExtended strand (participates in β ladder)cis-75.2146.40.431.1-35.3000113.3N137N137-P140 HydrophobicContact CB-CB 4.15Å; N137-P140 WeakPolarHBondContact OD1-CA 3.36Å; N137-P140 VanDerWaalsContact OD1-CB 3.23Å; N137-P140 WeakPolarHBondContact OD1-CB 3.33Å
141V98.4Very high91.4Very high16 Ų1661.8 Ų61.810%0.09738%0.377CS..EExtended strand (participates in β ladder)trans-123117.5172.9173.40000109.1Q6 R7 L54 W63 N137 D138Q6-V141 WeakPolarHBondContact CA-O 3.22Å; R7-V141 HydrophobicContact CB-CB 3.88Å; R7-V141 HydrophobicContact CB-CG1 4.28Å; R7-V141 PolarHBondContact N-O 2.91Å; L54-V141 HydrophobicContact CD2-CG1 4.06Å; W63-V141 HydrophobicContact CH2-CG1 3.82Å; W63-V141 HydrophobicContact CH2-CG2 4.04Å; W63-V141 HydrophobicContact CZ3-CG1 3.75Å; N137-V141 PolarHBondContact OD1-N 3.41Å; N137-V141 PolarHBondContact OD1-O 3.04Å; D138-V141 PolarHBondContact O-N 2.8Å
142T98.7Very high88.9Confident79 Ų7966.8 Ų66.849%0.48541%0.409SS..EExtended strand (participates in β ladder)trans-132.6131.2179.7-56.40000109.9I4 I5 Q6 N137I4-T142 HydrophobicContact CG2-CG2 3.69Å; I5-T142 CarbonylContact O-C 3.54Å; I5-T142 WeakPolarHBondContact O-CA 3.41Å; Q6-T142 HydrophobicContact CG-CG2 3.95Å; N137-T142 PolarHBondContact ND2-OG1 2.88Å; N137-T142 VanDerWaalsContact ND2-OG1 3.14Å
143V98.5Very high86.5Confident40 Ų4064.5 Ų64.524%0.24240%0.401CS..EExtended strand (participates in β ladder)trans-129.3127.7179.9178.50000109.9I5 L52 L54 L145I5-V143 PolarHBondContact N-O 3.16Å; I5-V143 PolarHBondContact O-N 2.92Å; L52-V143 HydrophobicContact CD2-CB 4.13Å; L52-V143 HydrophobicContact CD2-CG1 4.01Å; L52-V143 HydrophobicContact CD2-CG2 4.37Å; L54-V143 HydrophobicContact CD2-CG2 3.84Å; V143-L145 HydrophobicContact CG1-CD2 3.97Å; V143-L145 HydrophobicContact CG1-CG 4.42Å
144E98.5Very high84.3Confident99 Ų9966.5 Ų66.546%0.46342%0.417SS..EExtended strand (participates in β ladder)trans-85.6131.5165.6-179.2170.5-174.300110.1R2 A3 I4R2-E144 IonicContact CZ-OE1 3.25Å; R2-E144 VanDerWaalsContact CZ-OE1 3.25Å; R2-E144 IonicContact NE-OE1 3Å; R2-E144 PolarHBondContact NE-OE1 3.13Å; R2-E144 IonicContact NH2-OE1 2.67Å; R2-E144 PolarHBondContact NH2-OE1 3.09Å; R2-E144 IonicContact NH2-OE2 3.86Å; A3-E144 WeakPolarHBondContact O-CA 3.09Å; I4-E144 HydrophobicContact CD1-CB 3.76Å; I4-E144 HydrophobicContact CD1-CG 3.85Å
145L97.7Very high82.3Confident24 Ų2469.9 Ų69.913%0.12643%0.428CS..EExtended strand (participates in β ladder)trans-118139.9167.4-63.8-170.6000110.5R2 A3 I5 M45 K48 I49 V143R2-L145 CarbonylContact C-O 3.57Å; R2-L145 WeakPolarHBondContact CA-O 3.27Å; A3-L145 HydrophobicContact CB-CB 4.48Å; A3-L145 PolarHBondContact N-O 3.43Å; A3-L145 PolarHBondContact O-N 3.41Å; I5-L145 HydrophobicContact CD1-CD1 3.46Å; I5-L145 VanDerWaalsContact CD1-CD1 3.46Å; I5-L145 HydrophobicContact CD1-CG 3.79Å; M45-L145 HydrophobicContact CE-CB 4.22Å; M45-L145 HydrophobicContact SD-CB 3.89Å; M45-L145 HydrophobicContact SD-CD1 4.12Å; K48-L145 HydrophobicContact CB-CD1 3.84Å; I49-L145 HydrophobicContact CG1-CD1 4.42Å; V143-L145 HydrophobicContact CG1-CD2 3.97Å; V143-L145 HydrophobicContact CG1-CG 4.42Å
146T96.9Very high80.3Confident74 Ų7472.4 Ų72.445%0.45444%0.438SS..EExtended strand (participates in β ladder)trans-127137170.6-560000108.5M1 R2M1-T146 CarbonylContact O-C 3.48Å; M1-T146 VanDerWaalsContact O-CA 3.31Å; M1-T146 WeakPolarHBondContact O-CA 3.3Å; R2-T146 HydrophobicContact CG-CG2 4.13Å
147S94.8Very high78.3Confident7 Ų771.4 Ų71.45%0.04944%0.436CS..PPolyproline II helixtrans-68.8145.517165.40000109.9M1 D41 A149M1-S147 WeakPolarHBondContact CB-OG 3.31Å; M1-S147 PolarHBondContact N-OG 3.17Å; M1-S147 PolarHBondContact O-N 3.03Å; D41-S147 WeakPolarHBondContact OD1-CB 3.47Å; D41-S147 PolarHBondContact OD1-OG 3.4Å; S147-A149 PolarHBondContact O-N 3.27Å
148P85.1Confident76.7Confident74 Ų7471.2 Ų71.248%0.48144%0.438SS..PPolyproline II helixtrans-65.7132.4179.1-15.430.2000109.3Y44Y44-P148 HydrophobicContact CD2-CG 4.12Å; Y44-P148 HydrophobicContact CE1-CG 4.42Å; Y44-P148 HydrophobicContact CE2-CG 3.74Å
149A70.7Confident75.3Confident84 Ų8476.3 Ų76.369%0.69446%0.458SS*.PPolyproline II helixtrans-52.4147.6166.900000110.3S147S147-A149 PolarHBondContact O-N 3.27Å
150A59.3Low74Confident77 Ų7777 Ų7764%0.63645%0.447SS*.PPolyproline II helixtrans-51.2139169.100000109.3T152A150-T152 PolarHBondContact O-N 2.85Å
151P46.9Very low72.8Confident31 Ų3177.1 Ų77.120%0.20144%0.438CS..  trans-67.994.8-169.226.3-34.7000111.8D153 Q156 L157P151-D153 PolarHBondContact O-N 3.03Å; P151-Q156 HydrophobicContact CB-CB 3.99Å; P151-L157 WeakPolarHBondContact O-CD1 3.47Å
152T46.7Very low71.5Confident142 Ų14282.8 Ų82.887%0.87146%0.462SS*.  trans-70.7-8.3161.833.80000112.4A150 S154A150-T152 PolarHBondContact O-N 2.85Å; T152-S154 PolarHBondContact O-N 2.78Å
153D46.6Very low70.3Confident77 Ų7784.5 Ų84.541%0.41246%0.464SS..  trans-83.8108.5178-164.9-2.9000111P151 K155 Q156 L157P151-D153 PolarHBondContact O-N 3.03Å; D153-K155 PolarHBondContact O-N 3.43Å; D153-K155 PolarHBondContact OD1-N 3.43Å; D153-Q156 HydrophobicContact CB-CG 4.46Å; D153-Q156 PolarHBondContact O-N 3.03Å; D153-L157 PolarHBondContact O-N 3.26Å
154S52.8Low69.1Low84 Ų8488.8 Ų88.859%0.58748%0.481SS*.Hα-helixtrans-55.7-22.7178.359.80000113.2T152 S158T152-S154 PolarHBondContact O-N 2.78Å; S154-S158 WeakPolarHBondContact O-CB 3.3Å; S154-S158 PolarHBondContact O-N 2.69Å; S154-S158 PolarHBondContact O-OG 3.33Å
155K55.6Low67.8Low159 Ų15988.6 Ų88.669%0.69148%0.483SS*.Hα-helixtrans-71.4-27.2173.2-67.1176.2-179.9170.30113.5D153 S158 K159D153-K155 PolarHBondContact O-N 3.43Å; D153-K155 PolarHBondContact OD1-N 3.43Å; K155-S158 PolarHBondContact O-OG 2.84Å; K155-K159 WeakPolarHBondContact O-CB 3.41Å; K155-K159 PolarHBondContact O-N 2.67Å
156Q57.5Low66.6Low108 Ų10896.6 Ų96.651%0.50551%0.511SS..Hα-helixtrans-85.8-40.3174.5-67.3-155.717.900112.3P151 D153 K159 L160P151-Q156 HydrophobicContact CB-CB 3.99Å; D153-Q156 HydrophobicContact CB-CG 4.46Å; D153-Q156 PolarHBondContact O-N 3.03Å; Q156-K159 WeakPolarHBondContact O-CB 3.35Å; Q156-K159 PolarHBondContact O-N 2.96Å; Q156-K159 VanDerWaalsContact O-N 3.09Å; Q156-L160 WeakPolarHBondContact O-CG 3.26Å; Q156-L160 PolarHBondContact O-N 2.99Å
157L56.1Low65.3Low82 Ų82100.8 Ų100.843%0.42952%0.523SS..Hα-helixtrans-54.4-53.8170.7-78.2158.8000110.6P151 D153 K159 L160 E161P151-L157 WeakPolarHBondContact O-CD1 3.47Å; D153-L157 PolarHBondContact O-N 3.26Å; L157-K159 PolarHBondContact O-N 3.23Å; L157-K159 VanDerWaalsContact O-N 3.13Å; L157-L160 PolarHBondContact O-N 3.47Å; L157-E161 WeakPolarHBondContact O-CG 3.33Å; L157-E161 PolarHBondContact O-N 2.95Å
158S64.2Low64.1Low37 Ų37106.5 Ų106.526%0.25955%0.549SS..Hα-helixtrans-64.2-19.5177.261.10000114.7S154 K155 E161 K162S154-S158 WeakPolarHBondContact O-CB 3.3Å; S154-S158 PolarHBondContact O-N 2.69Å; S154-S158 PolarHBondContact O-OG 3.33Å; K155-S158 PolarHBondContact O-OG 2.84Å; S158-E161 WeakPolarHBondContact CA-OE2 3.4Å; S158-K162 VanDerWaalsContact O-CB 3.27Å; S158-K162 WeakPolarHBondContact O-CB 3.26Å; S158-K162 WeakPolarHBondContact O-CD 3.33Å; S158-K162 WeakPolarHBondContact O-CG 3.28Å; S158-K162 PolarHBondContact O-N 2.94Å
159K69.5Low63.2Low141 Ų141110 Ų11061%0.61356%0.557SS**Hα-helixtrans-80.3-37.7172.3-169.4175-178.1179.50111.8K155 Q156 L157 Q163K155-K159 WeakPolarHBondContact O-CB 3.41Å; K155-K159 PolarHBondContact O-N 2.67Å; Q156-K159 WeakPolarHBondContact O-CB 3.35Å; Q156-K159 PolarHBondContact O-N 2.96Å; Q156-K159 VanDerWaalsContact O-N 3.09Å; L157-K159 PolarHBondContact O-N 3.23Å; L157-K159 VanDerWaalsContact O-N 3.13Å; K159-Q163 WeakPolarHBondContact O-CG 3.43Å; K159-Q163 PolarHBondContact O-N 3.05Å; K159-Q163 VanDerWaalsContact O-N 3.11Å
160L63.8Low62.8Low77 Ų77111.1 Ų111.140%0.40356%0.555SS.*Hα-helixtrans-69.5-46.6174.7-72.9162.9000111.2Q156 L157 K162 Q163 Q164Q156-L160 WeakPolarHBondContact O-CG 3.26Å; Q156-L160 PolarHBondContact O-N 2.99Å; L157-L160 PolarHBondContact O-N 3.47Å; L160-K162 PolarHBondContact O-N 3.14Å; L160-Q163 WeakPolarHBondContact O-CA 3.31Å; L160-Q163 WeakPolarHBondContact O-CB 3.44Å; L160-Q163 PolarHBondContact O-N 2.96Å; L160-Q164 PolarHBondContact O-N 2.84Å
161E70.3Confident63Low107 Ų107117.8 Ų117.850%0.556%0.564SS.*Hα-helixtrans-56.3-48172.8-70.3170.6160.400111.3L157 S158 Q163 Q164 L165L157-E161 WeakPolarHBondContact O-CG 3.33Å; L157-E161 PolarHBondContact O-N 2.95Å; S158-E161 WeakPolarHBondContact CA-OE2 3.4Å; E161-Q163 PolarHBondContact O-N 3.1Å; E161-Q164 PolarHBondContact O-N 2.86Å; E161-L165 WeakPolarHBondContact O-CB 3.41Å; E161-L165 WeakPolarHBondContact O-CG 3.23Å; E161-L165 PolarHBondContact O-N 2.9Å
162K72Confident63.5Low136 Ų136119.7 Ų119.759%0.59158%0.578SS**Hα-helixtrans-63.8-26.5176.1-75.6170.5-170.2169.30113.2S158 L160 R166S158-K162 VanDerWaalsContact O-CB 3.27Å; S158-K162 WeakPolarHBondContact O-CB 3.26Å; S158-K162 WeakPolarHBondContact O-CD 3.33Å; S158-K162 WeakPolarHBondContact O-CG 3.28Å; S158-K162 PolarHBondContact O-N 2.94Å; L160-K162 PolarHBondContact O-N 3.14Å; K162-R166 WeakPolarHBondContact O-CB 3.11Å; K162-R166 VanDerWaalsContact O-CG 3.24Å; K162-R166 WeakPolarHBondContact O-CG 3.36Å; K162-R166 PolarHBondContact O-N 2.67Å
163Q72.3Confident64Low114 Ų114121.2 Ų121.253%0.53357%0.572SS.*Hα-helixtrans-78.1-38.9172.7-80.1-175.3-12.500112.4K159 L160 E161 R166 K167K159-Q163 WeakPolarHBondContact O-CG 3.43Å; K159-Q163 PolarHBondContact O-N 3.05Å; K159-Q163 VanDerWaalsContact O-N 3.11Å; L160-Q163 WeakPolarHBondContact O-CA 3.31Å; L160-Q163 WeakPolarHBondContact O-CB 3.44Å; L160-Q163 PolarHBondContact O-N 2.96Å; E161-Q163 PolarHBondContact O-N 3.1Å; Q163-R166 PolarHBondContact O-N 3.39Å; Q163-K167 PolarHBondContact O-N 3.06Å
164Q73.3Confident63.9Low131 Ų131121 Ų12161%0.61259%0.589SS**Hα-helixtrans-65.8-50.3174.8-73.3176.7-19.700111.2L160 E161 R166 K167 E168L160-Q164 PolarHBondContact O-N 2.84Å; E161-Q164 PolarHBondContact O-N 2.86Å; Q164-R166 PolarHBondContact O-N 2.86Å; Q164-K167 PolarHBondContact O-N 3Å; Q164-E168 PolarHBondContact O-N 3.39Å
165L71.4Confident63.7Low94 Ų94121.4 Ų121.449%0.49259%0.592SS.*Hα-helixtrans-57.1-31.9174.5-77.5164000113.2E161 K169E161-L165 WeakPolarHBondContact O-CB 3.41Å; E161-L165 WeakPolarHBondContact O-CG 3.23Å; E161-L165 PolarHBondContact O-N 2.9Å; L165-K169 WeakPolarHBondContact O-CB 3.33Å; L165-K169 WeakPolarHBondContact O-CG 3.29Å; L165-K169 PolarHBondContact O-N 3.42Å; L165-K169 VanDerWaalsContact O-N 3.14Å
166R72.4Confident63.4Low192 Ų192118.1 Ų118.173%0.72559%0.589SS**Hα-helixtrans-69.7-48.1171.9-83.1177.2175.2-164.6-1.6111.4K162 Q163 Q164 E168 K169 T170K162-R166 WeakPolarHBondContact O-CB 3.11Å; K162-R166 VanDerWaalsContact O-CG 3.24Å; K162-R166 WeakPolarHBondContact O-CG 3.36Å; K162-R166 PolarHBondContact O-N 2.67Å; Q163-R166 PolarHBondContact O-N 3.39Å; Q164-R166 PolarHBondContact O-N 2.86Å; R166-E168 VanDerWaalsContact C-N 3.31Å; R166-E168 PolarHBondContact O-N 3.36Å; R166-K169 PolarHBondContact O-N 2.97Å; R166-T170 PolarHBondContact O-N 2.6Å; R166-T170 PolarHBondContact O-OG1 3.08Å
167K71Confident62.8Low163 Ų163122.4 Ų122.471%0.70961%0.609SS**Hα-helixtrans-59.4-39.7177.4-78.7-175.6172.4-1760112.6Q163 Q164 T170 R171Q163-K167 PolarHBondContact O-N 3.06Å; Q164-K167 PolarHBondContact O-N 3Å; K167-T170 PolarHBondContact O-N 2.92Å; K167-R171 PolarHBondContact O-N 3.24Å
168E69.1Low62.3Low127 Ų127124 Ų12459%0.59363%0.627SS**Hα-helixtrans-67.2-43.8175.4-71.3-175.3140.600112.4Q164 R166 T170 R171 S172Q164-E168 PolarHBondContact O-N 3.39Å; R166-E168 VanDerWaalsContact C-N 3.31Å; R166-E168 PolarHBondContact O-N 3.36Å; E168-T170 VanDerWaalsContact C-N 3.29Å; E168-T170 PolarHBondContact O-N 2.87Å; E168-R171 WeakPolarHBondContact O-CB 3.2Å; E168-R171 PolarHBondContact O-N 3.16Å; E168-R171 VanDerWaalsContact O-N 3.12Å; E168-S172 PolarHBondContact O-N 2.91Å; E168-S172 PolarHBondContact O-OG 3.11Å
169K65.4Low61.5Low147 Ų147125.9 Ų125.964%0.63965%0.652SS**Hα-helixtrans-64.3-30.3174.7-76.2-178.2178.1-174.30113.5L165 R166 S172 K173L165-K169 WeakPolarHBondContact O-CB 3.33Å; L165-K169 WeakPolarHBondContact O-CG 3.29Å; L165-K169 PolarHBondContact O-N 3.42Å; L165-K169 VanDerWaalsContact O-N 3.14Å; R166-K169 PolarHBondContact O-N 2.97Å; K169-S172 PolarHBondContact O-OG 3.29Å; K169-K173 PolarHBondContact O-N 3.22Å
170T62.7Low60Low107 Ų107131.4 Ų131.466%0.65667%0.669SS**Hα-helixtrans-71.9-37.4171.8-51.90000111.4R166 K167 E168R166-T170 PolarHBondContact O-N 2.6Å; R166-T170 PolarHBondContact O-OG1 3.08Å; K167-T170 PolarHBondContact O-N 2.92Å; E168-T170 VanDerWaalsContact C-N 3.29Å; E168-T170 PolarHBondContact O-N 2.87Å
171R62.8Low58.7Low217 Ų217135.2 Ų135.282%0.81968%0.684SS**Hα-helixtrans-65.8-45.4173.6-87-178.9160.4-178.3-7.3112.7K167 E168 K173 G174K167-R171 PolarHBondContact O-N 3.24Å; E168-R171 WeakPolarHBondContact O-CB 3.2Å; E168-R171 PolarHBondContact O-N 3.16Å; E168-R171 VanDerWaalsContact O-N 3.12Å; R171-K173 PolarHBondContact O-N 3.37Å; R171-G174 PolarHBondContact O-N 2.88Å
172S57.8Low57.2Low71 Ų71137.9 Ų137.950%0.49769%0.694SS.*Hα-helixtrans-72.6-24.4-177.263.10000114.2E168 K169 G174 S175E168-S172 PolarHBondContact O-N 2.91Å; E168-S172 PolarHBondContact O-OG 3.11Å; K169-S172 PolarHBondContact O-OG 3.29Å; S172-G174 VanDerWaalsContact C-N 3.32Å; S172-S175 PolarHBondContact O-OG 3.27Å
173K56.8Low55.4Low174 Ų174136.6 Ų136.676%0.75770%0.703SS**Hα-helixtrans-72.9-20.6169.9-89.1-164.9167.4-162.40114.1K169 R171 S175K169-K173 PolarHBondContact O-N 3.22Å; R171-K173 PolarHBondContact O-N 3.37Å; K173-S175 VanDerWaalsContact C-N 3.26Å; K173-S175 PolarHBondContact O-N 3.45Å
174G45.9Very low53.5Low73 Ų73136.5 Ų136.575%0.75371%0.714SS**THydrogen-bonded Turntrans-78-7.1178.600000114.5R171 S172R171-G174 PolarHBondContact O-N 2.88Å; S172-G174 VanDerWaalsContact C-N 3.32Å
175S48.5Very low51.7Low93 Ų93137.4 Ų137.465%0.6572%0.723SS**THydrogen-bonded Turntrans-119.418.5-169.558.80000114.6S172 K173S172-S175 PolarHBondContact O-OG 3.27Å; K173-S175 VanDerWaalsContact C-N 3.26Å; K173-S175 PolarHBondContact O-N 3.45Å
176S48.3Very low49.9Very low90 Ų90143.4 Ų143.463%0.62974%0.739SS**SBendtrans-131.812.9-174.370.60000116.4
177E44.8Very low48Very low198 Ų198140.1 Ų140.193%0.92575%0.745SS**  trans-115.360.2170.2-78-169.6140.600111.7
178S46.6Very low46.4Very low115 Ų115143.8 Ų143.880%0.80476%0.755SS**SBendtrans-143.799.3162.564.20000110.5
179G45.7Very low45.4Very low76 Ų76143.5 Ų143.578%0.78476%0.764SS**  trans119.198.9165.400000115.7
180R38.1Very low44.1Very low257 Ų257143.8 Ų143.897%0.9777%0.773SS**  trans-157.6107.2138.8-114.2167.9-172-174.81.4111.4
181E37.4Very low43.4Very low157 Ų157144 Ų14473%0.73478%0.776SS**  trans-94.9161.9173-126-158.9130.800111.1
182K39.5Very low42Very low163 Ų163139.2 Ų139.271%0.70978%0.776SS**  trans83.7102.2154.2-73.3168.7-177.81580122.3
183S32.8Very low41Very low110 Ų110140.5 Ų140.577%0.76979%0.79SS**  105.2125.1109.478.50000121.1
184S33.3Very low40.2Very low111 Ų111137 Ų13778%0.77679%0.788SS**  179.8123.9119.233.90000114.4
185L35.3Very low39.9Very low151 Ų151139.3 Ų139.379%0.79179%0.792SS**  trans26140.7134.4-60.8162.1000119.6
186R33.8Very low39.3Very low220 Ų220138.2 Ų138.283%0.8380%0.796SS**  cis-160.2152.76.1-97.5164.3177.3-178-0107.3
187S32.9Very low39Very low123 Ų123138.3 Ų138.386%0.8680%0.802SS**  172.5165.590.144.20000111.9
188R37Very low38.7Very low239 Ų239138.5 Ų138.590%0.90280%0.803SS**  trans-96.4-176.8-171.5-56.3177.3168.3179.7-5.5112.8
189P47.5Very low38.3Very low121 Ų121137 Ų13779%0.78681%0.806SS**  cis-133.9175.8-5.628.1-4000117.6
190D37.8Very low38.2Very low154 Ų154140.1 Ų140.182%0.82480%0.804SS**  trans-49.1166161.1-85.6-49.9000115.8
191P49.2Very low38.7Very low112 Ų112134.7 Ų134.773%0.72780%0.799SS**  cis-155-173.546.444.2-22.3000120.7
192S33.7Very low39Very low116 Ų116131.4 Ų131.481%0.81179%0.794SS**  trans74.6150169.9790000115.6
193A36.9Very low39.2Very low98 Ų98128.4 Ų128.481%0.8179%0.793SS**  cis-170.2168.9-7.400000107.1
194S38.6Very low39.9Very low101 Ų101130 Ų13071%0.70679%0.794SS**  cis-169.4157.7-9.6161.70000108.4
195S40.3Very low40.4Very low120 Ų120134 Ų13484%0.83979%0.792SS**  trans56.2140161.352.90000119.5
196G36.4Very low40.9Very low71 Ų71134.3 Ų134.373%0.73279%0.789SS**  cis166.7-179.6-0.400000111.1
197A41Very low42.6Very low91 Ų91133.2 Ų133.275%0.75281%0.811SS**  trans46106.6161.500000118.6
198E39.4Very low43.1Very low203 Ų203133.8 Ų133.895%0.94981%0.808SS**  76.2133.784.6-76.6-168.815000114.8
199G38Very low43.4Very low84 Ų84128.2 Ų128.287%0.86680%0.803SS**  trans160.852.4-179.300000114.6
200D43.5Very low43.1Very low140 Ų140128.6 Ų128.675%0.74980%0.804SS**  trans-95.1121.2171.3179.316.1000110
201V47.5Very low43.5Very low143 Ų143127.1 Ų127.187%0.86780%0.803SS**  trans-143.4127.9156.7-178.30000109.1
202S45Very low43.1Very low89 Ų89128.1 Ų128.162%0.62281%0.808SS**  trans-92-170.1-175.3-680000114
203S43.8Very low43.7Very low99 Ų99128.9 Ų128.969%0.69281%0.807SS**  trans82.6113.3160.179.40000114.9
204D46.6Very low44.2Very low145 Ų145131.1 Ų131.178%0.77581%0.807SS**  90.1146.278.3-77.5-41.5000111.2
205R44.1Very low44.6Very low194 Ų194133.4 Ų133.473%0.73282%0.815SS**  cis-178.7131.5-9165.9179.1-179.5170.35.2109.6
206E46.1Very low45Very low157 Ų157134.5 Ų134.573%0.73481%0.813SS**  trans57.7168.4158.5-67.6176.9121.800118.8
207P68.6Low45.8Very low198 Ų198140.3 Ų140.3100%1.28682%0.82SS**  cis-109.50-9.936.7-24.1000114.9

Retrieved 207 of 207 residues in 309.6 ms (Link to these results)

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