A0A087XW49_POEFO Loading...

pancreatic elastase II

AlphaFold DB , UniProt , Accession A0A087XW49, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 185 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
1F37.3Very low43.6Very low221 Ų22193.6 Ų93.697%0.96951%0.514SS*.  070.80-71.4-92.7000108.3A3 Q142F1-A3 PolarHBondContact O-N 3.16Å; F1-Q142 PolarHBondContact O-OE1 2.87Å
2N35.7Very low46.2Very low123 Ų12386.3 Ų86.366%0.65847%0.474SS*.BIsolated β-bridgetrans-71.2124179-74.3-10.9000108.5I140 Q142N2-I140 HydrophobicContact CB-CG2 4.38Å; N2-Q142 PolarHBondContact OD1-NE2 2.91Å
3A35.7Very low49.4Very low5 Ų581.5 Ų81.54%0.04145%0.446CS..PPolyproline II helixtrans-62.5151.6163.900000107.6F1 H58 L141 Q143F1-A3 PolarHBondContact O-N 3.16Å; A3-H58 PolarHBondContact O-CE1 2.92Å; A3-H58 PolarHBondContact O-NE2 3.04Å; A3-L141 WeakPolarHBondContact CB-O 3.26Å; A3-L141 PolarHBondContact N-O 3.07Å; A3-Q143 HydrophobicContact CB-CB 4.37Å; A3-Q143 HydrophobicContact CB-CG 4.13Å
4S34.5Very low52.7Low72 Ų7275.6 Ų75.650%0.50341%0.414SS..PPolyproline II helixtrans-96.3149.6161.1-750000107.3H6 I7S4-H6 PolarHBondContact O-N 3.05Å; S4-I7 PolarHBondContact O-N 3.24Å; S4-I7 VanDerWaalsContact O-N 3.08Å
5V39.8Very low55.6Low75 Ų7570.6 Ų70.646%0.45539%0.387SS..THydrogen-bonded Turntrans-47-17.3177.2-165.10000113.8H58 T104V5-H58 HydrophobicContact CB-CB 4.4Å; V5-H58 HydrophobicContact CG1-CB 4.31Å; V5-H58 HydrophobicContact CG2-CB 3.58Å; V5-H58 VanDerWaalsContact CG2-CG 3.46Å; V5-T104 HydrophobicContact CG1-CG2 4.19Å
6H39.9Very low58.2Low153 Ų15366.3 Ų66.371%0.70836%0.363SS*.THydrogen-bonded Turntrans-103.68.1-174.2-72.780.2000115.9S4S4-H6 PolarHBondContact O-N 3.05Å
7I43.8Very low60.5Low86 Ų8662.9 Ų62.944%0.44134%0.344SS..SBendtrans-114.456.8-173.4-44.2-177.7000112S4 Q143S4-I7 PolarHBondContact O-N 3.24Å; S4-I7 VanDerWaalsContact O-N 3.08Å; I7-Q143 PolarHBondContact O-OE1 3.47Å
8I50.7Low62.5Low57 Ų5760.1 Ų60.129%0.29233%0.329SS..SBend-154.5108.8115.8-54.5-168.4000104.6G10 I11 F124 T126I8-G10 PolarHBondContact O-N 2.83Å; I8-I11 HydrophobicContact CB-CB 4.3Å; I8-I11 HydrophobicContact CB-CD1 4.44Å; I8-I11 HydrophobicContact CB-CG1 4.41Å; I8-I11 HydrophobicContact CD1-CD1 4.14Å; I8-I11 HydrophobicContact CG2-CB 4.31Å; I8-I11 HydrophobicContact CG2-CD1 3.76Å; I8-I11 HydrophobicContact CG2-CG1 3.87Å; I8-I11 PolarHBondContact O-N 3.42Å; I8-F124 HydrophobicContact CD1-CB 4Å; I8-T126 HydrophobicContact CD1-CG2 4.09Å
9P46.9Very low64.2Low124 Ų12459.1 Ų59.181%0.80532%0.324SS*.THydrogen-bonded Turntrans-55.2116.9177.1-22.632.1000110.1
10G52.6Low65.6Low38 Ų3859.8 Ų59.839%0.39233%0.333SS..THydrogen-bonded Turntrans9211.2173.800000117.7I8I8-G10 PolarHBondContact O-N 2.83Å
11I62.7Low66.7Low76 Ų7669 Ų6939%0.3936%0.363SS..  trans-116.8118.1171-57.7-174.3000110.6I8I8-I11 HydrophobicContact CB-CB 4.3Å; I8-I11 HydrophobicContact CB-CD1 4.44Å; I8-I11 HydrophobicContact CB-CG1 4.41Å; I8-I11 HydrophobicContact CD1-CD1 4.14Å; I8-I11 HydrophobicContact CG2-CB 4.31Å; I8-I11 HydrophobicContact CG2-CD1 3.76Å; I8-I11 HydrophobicContact CG2-CG1 3.87Å; I8-I11 PolarHBondContact O-N 3.42Å
12S75.3Confident69.2Low5 Ų561.6 Ų61.64%0.03535%0.348CS..  trans-89.4107.5169.2-68.60000111.8V14 T104 I105 T106S12-V14 PolarHBondContact O-N 3.01Å; S12-T104 PolarHBondContact OG-O 2.82Å; S12-I105 WeakPolarHBondContact OG-CA 3.34Å; S12-T106 WeakPolarHBondContact CB-O 3.43Å; S12-T106 PolarHBondContact N-O 2.03Å; S12-T106 PolarHBondContact OG-N 3.19Å; S12-T106 PolarHBondContact OG-O 3.31Å
13E87.3Confident72Confident24 Ų2464.8 Ų64.811%0.11235%0.351CS..EExtended strand (participates in β ladder)trans-64.5130.3167.1-164.269.2-15900109.7T126 W128 L141E13-T126 WeakPolarHBondContact OE2-CB 3.47Å; E13-T126 PolarHBondContact OE2-OG1 3.09Å; E13-W128 HydrophobicContact CB-CH2 3.87Å; E13-W128 HydrophobicContact CB-CZ3 4.03Å; E13-W128 HydrophobicContact CG-CE3 4.12Å; E13-W128 HydrophobicContact CG-CH2 3.69Å; E13-W128 HydrophobicContact CG-CZ3 3.34Å; E13-L141 HydrophobicContact CB-CD1 4.16Å; E13-L141 HydrophobicContact CB-CD2 4.21Å; E13-L141 HydrophobicContact CG-CD1 3.77Å
14V95.1Very high74.8Confident0 Ų068.3 Ų68.30%036%0.363CS..EExtended strand (participates in β ladder)trans-100.2131.8176.6166.90000109.9S12 G29 G30 L32 V38 V53 L55S12-V14 PolarHBondContact O-N 3.01Å; V14-G29 CarbonylContact O-C 3.48Å; V14-G29 VanDerWaalsContact O-CA 3.31Å; V14-G29 WeakPolarHBondContact O-CA 3.39Å; V14-G30 WeakPolarHBondContact CB-O 3.22Å; V14-G30 PolarHBondContact N-O 3.41Å; V14-G30 PolarHBondContact O-N 2.76Å; V14-G30 VanDerWaalsContact O-N 3.16Å; V14-L32 HydrophobicContact CG2-CB 4.46Å; V14-V38 HydrophobicContact CB-CG1 4.33Å; V14-V38 HydrophobicContact CG1-CG1 4.02Å; V14-V38 HydrophobicContact CG2-CG1 4.06Å; V14-V38 HydrophobicContact CG2-CG2 4.11Å; V14-V53 HydrophobicContact CB-CG1 4.39Å; V14-V53 HydrophobicContact CG1-CB 4.21Å; V14-V53 HydrophobicContact CG1-CG1 3.42Å; V14-V53 VanDerWaalsContact CG1-CG1 3.42Å; V14-V53 HydrophobicContact CG1-CG2 4.12Å; V14-V53 HydrophobicContact CG2-CG1 4.14Å; V14-L55 HydrophobicContact CG2-CD2 3.5Å; V14-L55 VanDerWaalsContact CG2-CD2 3.5Å; V14-L55 HydrophobicContact CG2-CG 4.38Å
15S96.6Very high77.6Confident0 Ų067.4 Ų67.40%036%0.357CS..EExtended strand (participates in β ladder)trans-93.1104163.11790000108.9H26 E54 L60S15-H26 PolarHBondContact OG-ND1 3.1Å; S15-E54 PolarHBondContact N-O 2.85Å; S15-E54 PolarHBondContact O-N 2.83Å; S15-L60 WeakPolarHBondContact OG-CD2 3.3Å
16L97.4Very high80.3Confident1 Ų165.4 Ų65.41%0.00534%0.343CS..EExtended strand (participates in β ladder)trans-76.2124.5168.7-178.761.2000108.3V27 C28 T40 C44 I45 Y51 V53 I93L16-V27 HydrophobicContact CG-CG2 4.23Å; L16-V27 WeakPolarHBondContact O-CG2 3.11Å; L16-V27 PolarHBondContact O-N 3.21Å; L16-C28 WeakPolarHBondContact CA-O 3.02Å; L16-C28 HydrophobicContact CB-CB 4.29Å; L16-C28 WeakPolarHBondContact CB-O 3.3Å; L16-C28 HydrophobicContact CD2-CB 4.22Å; L16-C28 PolarHBondContact N-O 2.86Å; L16-C28 PolarHBondContact O-N 2.86Å; L16-T40 HydrophobicContact CD2-CG2 4.41Å; L16-C44 HydrophobicContact CD2-CB 4.16Å; L16-I45 HydrophobicContact CD2-CD1 3.96Å; L16-Y51 HydrophobicContact CD1-CD1 3.61Å; L16-Y51 HydrophobicContact CD1-CE1 4.43Å; L16-Y51 HydrophobicContact CD1-CG 4.18Å; L16-Y51 HydrophobicContact CD2-CD1 4.1Å; L16-Y51 HydrophobicContact CD2-CE1 4.12Å; L16-Y51 HydrophobicContact CG-CD1 3.81Å; L16-Y51 HydrophobicContact CG-CE1 4.2Å; L16-V53 HydrophobicContact CD1-CG2 4.22Å; L16-I93 HydrophobicContact CD1-CD1 3.54Å; L16-I93 HydrophobicContact CD2-CD1 4.02Å; L16-I93 HydrophobicContact CG-CD1 4.4Å
17Q97.1Very high82.9Confident10 Ų1060.3 Ų60.35%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-121.5138.4-178.7-58.7-171.9-10.500110.9W24 S25 Y51 R52 E54Q17-W24 HydrophobicContact CB-CE3 4.18Å; Q17-S25 CarbonylContact C-O 3.54Å; Q17-S25 WeakPolarHBondContact CA-O 3.43Å; Q17-S25 WeakPolarHBondContact CB-O 3.34Å; Q17-Y51 WeakPolarHBondContact O-CA 3.34Å; Q17-R52 HydrophobicContact CB-CG 3.95Å; Q17-R52 PolarHBondContact N-O 2.79Å; Q17-R52 PolarHBondContact O-N 3.15Å; Q17-E54 PolarHBondContact NE2-OE1 3.1Å; Q17-E54 PolarHBondContact NE2-OE2 2.84Å; Q17-E54 PolarHBondContact OE1-OE1 3.07Å
18S96.6Very high85.4Confident11 Ų1157.2 Ų57.28%0.07731%0.308CS..EExtended strand (participates in β ladder)trans-104.8152169.5690000111.1W24 S25 V27 D50S18-W24 VanDerWaalsContact C-CE3 3.5Å; S18-W24 WeakPolarHBondContact O-CA 3.33Å; S18-S25 PolarHBondContact N-O 2.89Å; S18-S25 PolarHBondContact O-N 2.66Å; S18-V27 VanDerWaalsContact OG-CG1 3.26Å; S18-V27 WeakPolarHBondContact OG-CG1 3.38Å; S18-D50 CarbonylContact C-O 3.53Å; S18-D50 VanDerWaalsContact CA-O 3.3Å; S18-D50 WeakPolarHBondContact CA-O 3.39Å
19N95.3Very high87.5Confident41 Ų4156 Ų5622%0.21931%0.309CS..EExtended strand (participates in β ladder)trans-92.2119.8174.8-176.415.1000110.3G22 R23 W24 D50N19-G22 WeakPolarHBondContact OD1-CA 3.28Å; N19-G22 PolarHBondContact OD1-N 3.3Å; N19-R23 PolarHBondContact OD1-N 3.11Å; N19-W24 HydrophobicContact CB-CD2 4.07Å; N19-W24 HydrophobicContact CB-CE3 3.85Å; N19-W24 HydrophobicContact CB-CH2 3.75Å; N19-W24 HydrophobicContact CB-CZ2 3.95Å; N19-W24 HydrophobicContact CB-CZ3 3.69Å; N19-D50 HydrophobicContact CB-CB 3.93Å; N19-D50 PolarHBondContact N-O 3.47Å
20S91Very high89.9Confident73 Ų7350.5 Ų50.551%0.5128%0.275SS..EExtended strand (participates in β ladder)trans-118111.7168.7-169.60000109.4G22 R23S20-G22 VanDerWaalsContact C-N 3.26Å; S20-G22 PolarHBondContact O-N 3.28Å; S20-R23 PolarHBondContact N-O 2.76Å; S20-R23 PolarHBondContact O-N 3.39Å
21R88.9Confident91.9Very high255 Ų25550.9 Ų50.996%0.96227%0.27SS*.THydrogen-bonded Turntrans52.939.4176.7-55.5-179.5-177.8174.70.9113.8
22G90.6Very high93.6Very high64 Ų6447.2 Ų47.266%0.6625%0.251SS*.THydrogen-bonded Turntrans86.75179.300000114.5N19 S20N19-G22 WeakPolarHBondContact OD1-CA 3.28Å; N19-G22 PolarHBondContact OD1-N 3.3Å; S20-G22 VanDerWaalsContact C-N 3.26Å; S20-G22 PolarHBondContact O-N 3.28Å
23R93.1Very high94.6Very high191 Ų19149 Ų4972%0.72126%0.26SS*.EExtended strand (participates in β ladder)trans-113.9126.4175.4-173.2177.1-179.6177.70.6110.5N19 S20N19-R23 PolarHBondContact OD1-N 3.11Å; S20-R23 PolarHBondContact N-O 2.76Å; S20-R23 PolarHBondContact O-N 3.39Å
24W94.9Very high95Very high78 Ų7849.8 Ų49.830%0.29527%0.268SS..EExtended strand (participates in β ladder)trans-84.4134.1173.1-64.299.8000111.2Q17 S18 N19 D50 R52Q17-W24 HydrophobicContact CB-CE3 4.18Å; S18-W24 VanDerWaalsContact C-CE3 3.5Å; S18-W24 WeakPolarHBondContact O-CA 3.33Å; N19-W24 HydrophobicContact CB-CD2 4.07Å; N19-W24 HydrophobicContact CB-CE3 3.85Å; N19-W24 HydrophobicContact CB-CH2 3.75Å; N19-W24 HydrophobicContact CB-CZ2 3.95Å; N19-W24 HydrophobicContact CB-CZ3 3.69Å; W24-D50 HydrophobicContact CH2-CB 4.08Å; W24-D50 VanDerWaalsContact CZ3-O 3.23Å; W24-D50 WeakPolarHBondContact CZ3-O 3.31Å; W24-R52 VanDerWaalsContact CD2-CD 3.43Å; W24-R52 HydrophobicContact CD2-CG 3.93Å; W24-R52 HydrophobicContact CE3-CB 4.24Å; W24-R52 HydrophobicContact CE3-CG 3.51Å; W24-R52 VanDerWaalsContact CG-NE 3.27Å; W24-R52 HydrophobicContact CH2-CB 4.01Å; W24-R52 HydrophobicContact CH2-CG 4.16Å; W24-R52 HydrophobicContact CZ3-CB 3.83Å; W24-R52 HydrophobicContact CZ3-CG 3.63Å
25S94.4Very high95.1Very high53 Ų5354.1 Ų54.137%0.37129%0.289SS..EExtended strand (participates in β ladder)trans-138.5141.2175.751.50000111.3Q17 S18 V27Q17-S25 CarbonylContact C-O 3.54Å; Q17-S25 WeakPolarHBondContact CA-O 3.43Å; Q17-S25 WeakPolarHBondContact CB-O 3.34Å; S18-S25 PolarHBondContact N-O 2.89Å; S18-S25 PolarHBondContact O-N 2.66Å; S25-V27 PolarHBondContact O-N 3.36Å
26H95.3Very high95.2Very high34 Ų3457.3 Ų57.316%0.15730%0.303CS..EExtended strand (participates in β ladder)trans-59.3128.8170.2178.570.1000110.6S15 C28 L60 L182S15-H26 PolarHBondContact OG-ND1 3.1Å; H26-C28 PolarHBondContact CE1-O 3Å; H26-C28 PolarHBondContact ND1-O 3.43Å; H26-L60 HydrophobicContact CB-CD1 3.81Å; H26-L60 HydrophobicContact CB-CD2 4.25Å; H26-L182 WeakPolarHBondContact CD2-CD1 3.43Å
27V95.4Very high95.2Very high46 Ų4660.8 Ų60.828%0.27932%0.316SS..EExtended strand (participates in β ladder)trans-122.8-31.3179-67.80000112.8L16 S18 S25 Y51L16-V27 HydrophobicContact CG-CG2 4.23Å; L16-V27 WeakPolarHBondContact O-CG2 3.11Å; L16-V27 PolarHBondContact O-N 3.21Å; S18-V27 VanDerWaalsContact OG-CG1 3.26Å; S18-V27 WeakPolarHBondContact OG-CG1 3.38Å; S25-V27 PolarHBondContact O-N 3.36Å; V27-Y51 HydrophobicContact CG2-CE1 4.1Å
28C96.3Very high95.3Very high21 Ų2160.3 Ų60.314%0.14231%0.314CS..EExtended strand (participates in β ladder)trans-154.6163.4179.8-880000112L16 H26 C44L16-C28 WeakPolarHBondContact CA-O 3.02Å; L16-C28 HydrophobicContact CB-CB 4.29Å; L16-C28 WeakPolarHBondContact CB-O 3.3Å; L16-C28 HydrophobicContact CD2-CB 4.22Å; L16-C28 PolarHBondContact N-O 2.86Å; L16-C28 PolarHBondContact O-N 2.86Å; H26-C28 PolarHBondContact CE1-O 3Å; H26-C28 PolarHBondContact ND1-O 3.43Å; C28-C44 HydrophobicContact CB-CB 3.58Å; C28-C44 WeakPolarHBondContact CB-SG 3.44Å; C28-C44 WeakPolarHBondContact SG-CB 3.42Å; C28-C44 CovalentContact SG-SG 2.03Å; C28-C44 PolarHBondContact SG-SG 3.19Å
29G95.3Very high95.3Very high30 Ų3061.8 Ų61.831%0.30932%0.321SS..EExtended strand (participates in β ladder)trans-81179.2166.400000113V14 T40V14-G29 CarbonylContact O-C 3.48Å; V14-G29 VanDerWaalsContact O-CA 3.31Å; V14-G29 WeakPolarHBondContact O-CA 3.39Å; G29-T40 PolarHBondContact O-OG1 2.75Å
30G95.9Very high95.5Very high9 Ų960.5 Ų60.59%0.09332%0.315CS..EExtended strand (participates in β ladder)trans-175.3-178.7170.100000111V14 L39V14-G30 WeakPolarHBondContact CB-O 3.22Å; V14-G30 PolarHBondContact N-O 3.41Å; V14-G30 PolarHBondContact O-N 2.76Å; V14-G30 VanDerWaalsContact O-N 3.16Å; G30-L39 CarbonylContact C-O 3.53Å; G30-L39 WeakPolarHBondContact CA-O 3.49Å
31T96Very high95.7Very high46 Ų4658.1 Ų58.128%0.28230%0.3SS..EExtended strand (participates in β ladder)trans-133.9127.6-177.8-52.70000109.9I33 V38 L39 A108T31-I33 HydrophobicContact CG2-CG2 4.42Å; T31-I33 PolarHBondContact O-N 2.81Å; T31-V38 CarbonylContact O-C 3.58Å; T31-V38 VanDerWaalsContact O-CA 3.31Å; T31-V38 WeakPolarHBondContact O-CA 3.17Å; T31-L39 PolarHBondContact N-O 2.96Å; T31-L39 PolarHBondContact O-N 2.94Å; T31-A108 HydrophobicContact CG2-CB 3.44Å; T31-A108 VanDerWaalsContact CG2-CB 3.44Å
32L97.2Very high96.1Very high0 Ų046 Ų460%025%0.254CS..EExtended strand (participates in β ladder)trans-68.5123.6169.3-17070.3000108.9V14 S34 V38 L55 L95 V99 I105 P107 A108V14-L32 HydrophobicContact CG2-CB 4.46Å; L32-S34 WeakPolarHBondContact CD1-O 3.37Å; L32-S34 VanDerWaalsContact CG-O 3.3Å; L32-S34 WeakPolarHBondContact CG-O 3.45Å; L32-V38 HydrophobicContact CD1-CG2 3.86Å; L32-L55 HydrophobicContact CB-CD2 4.13Å; L32-L55 HydrophobicContact CD1-CD1 4.25Å; L32-L55 HydrophobicContact CD1-CD2 4.3Å; L32-L55 HydrophobicContact CD2-CD2 4.23Å; L32-L55 HydrophobicContact CG-CD2 4.47Å; L32-L95 HydrophobicContact CD1-CD1 4.14Å; L32-V99 HydrophobicContact CD1-CG1 4.33Å; L32-V99 HydrophobicContact CD2-CG1 3.87Å; L32-I105 HydrophobicContact CD2-CG2 3.79Å; L32-P107 HydrophobicContact CD2-CG 4.04Å; L32-P107 HydrophobicContact CG-CB 4.38Å; L32-P107 HydrophobicContact CG-CG 4.27Å; L32-P107 CarbonylContact O-C 3.58Å; L32-P107 VanDerWaalsContact O-CA 3.22Å; L32-P107 WeakPolarHBondContact O-CA 3.49Å; L32-A108 PolarHBondContact O-N 2.79Å
33I96.6Very high96.3Very high41 Ų4147.4 Ų47.421%0.2124%0.243CC..EExtended strand (participates in β ladder)trans-114.8-12.1-179.860.5166000112.7T31 W37 L39 L92 L110T31-I33 HydrophobicContact CG2-CG2 4.42Å; T31-I33 PolarHBondContact O-N 2.81Å; I33-W37 HydrophobicContact CD1-CB 4.2Å; I33-W37 HydrophobicContact CG1-CB 3.85Å; I33-W37 VanDerWaalsContact CG1-O 3.28Å; I33-W37 WeakPolarHBondContact CG1-O 3.36Å; I33-W37 PolarHBondContact N-O 3.23Å; I33-L39 HydrophobicContact CD1-CB 4.42Å; I33-L39 HydrophobicContact CG2-CB 3.84Å; I33-L92 HydrophobicContact CD1-CD2 3.64Å; I33-L110 HydrophobicContact CG2-CD2 3.94Å; I33-L110 HydrophobicContact CG2-CG 4.37Å
34S96.4Very high96.5Very high42 Ų4239 Ų3929%0.29421%0.214SC..EExtended strand (participates in β ladder)trans-158.8176.9165.171.50000108.9L32 E36 W37L32-S34 WeakPolarHBondContact CD1-O 3.37Å; L32-S34 VanDerWaalsContact CG-O 3.3Å; L32-S34 WeakPolarHBondContact CG-O 3.45Å; S34-E36 PolarHBondContact O-N 3.45Å; S34-E36 PolarHBondContact OG-N 2.91Å; S34-W37 PolarHBondContact N-O 3.32Å; S34-W37 PolarHBondContact O-N 2.93Å; S34-W37 WeakPolarHBondContact OG-CB 3.29Å; S34-W37 VanDerWaalsContact OG-CD1 3.28Å; S34-W37 PolarHBondContact OG-N 3.08Å
35Q97.2Very high96.5Very high91 Ų9136.9 Ų36.943%0.42521%0.208SC..THydrogen-bonded Turntrans-58.8-19179.2-66.7-175.4-90.900114.3P98 V99 L101Q35-P98 HydrophobicContact CB-CB 4.11Å; Q35-P98 CarbonylContact O-C 3.58Å; Q35-P98 WeakPolarHBondContact O-CA 3.37Å; Q35-V99 PolarHBondContact NE2-O 3.34Å; Q35-V99 PolarHBondContact O-N 2.89Å; Q35-L101 HydrophobicContact CG-CD1 4.38Å; Q35-L101 HydrophobicContact CG-CD2 3.83Å; Q35-L101 HydrophobicContact CG-CG 4.09Å
36E97.9Very high96.4Very high67 Ų6738.1 Ų38.131%0.31321%0.21SC..THydrogen-bonded Turntrans-124.1-1.8-176.7-69.9-175.4108.800114S34 K94 L95 P98S34-E36 PolarHBondContact O-N 3.45Å; S34-E36 PolarHBondContact OG-N 2.91Å; E36-K94 CarbonylContact O-C 3.58Å; E36-K94 WeakPolarHBondContact O-CA 3.22Å; E36-L95 PolarHBondContact O-N 3.42Å; E36-P98 VanDerWaalsContact CG-CA 3.48Å; E36-P98 HydrophobicContact CG-CB 3.76Å; E36-P98 HydrophobicContact CG-CG 3.66Å; E36-P98 WeakPolarHBondContact OE1-CD 3.35Å
37W98.3Very high96Very high73 Ų7345.9 Ų45.928%0.27725%0.246SC..EExtended strand (participates in β ladder)trans-128.9131.9-173-67.295.3000112.1I33 S34 I76 L92 I93 K94I33-W37 HydrophobicContact CD1-CB 4.2Å; I33-W37 HydrophobicContact CG1-CB 3.85Å; I33-W37 VanDerWaalsContact CG1-O 3.28Å; I33-W37 WeakPolarHBondContact CG1-O 3.36Å; I33-W37 PolarHBondContact N-O 3.23Å; S34-W37 PolarHBondContact N-O 3.32Å; S34-W37 PolarHBondContact O-N 2.93Å; S34-W37 WeakPolarHBondContact OG-CB 3.29Å; S34-W37 VanDerWaalsContact OG-CD1 3.28Å; S34-W37 PolarHBondContact OG-N 3.08Å; W37-I76 HydrophobicContact CH2-CD1 3.98Å; W37-I76 HydrophobicContact CZ3-CD1 4.08Å; W37-L92 HydrophobicContact CE3-CB 3.98Å; W37-L92 HydrophobicContact CZ3-CB 3.98Å; W37-I93 WeakPolarHBondContact CA-O 3.39Å; W37-K94 HydrophobicContact CD2-CB 4.42Å; W37-K94 HydrophobicContact CD2-CG 4.41Å; W37-K94 HydrophobicContact CE3-CB 4.02Å; W37-K94 HydrophobicContact CE3-CG 4.5Å; W37-K94 HydrophobicContact CH2-CB 3.82Å; W37-K94 HydrophobicContact CH2-CD 4.14Å; W37-K94 HydrophobicContact CH2-CG 4.12Å; W37-K94 HydrophobicContact CZ2-CB 4.2Å; W37-K94 HydrophobicContact CZ2-CD 3.88Å; W37-K94 HydrophobicContact CZ2-CG 3.98Å; W37-K94 HydrophobicContact CZ3-CB 3.72Å; W37-K94 HydrophobicContact CZ3-CG 4.37Å
38V98.4Very high95.6Very high0 Ų049.4 Ų49.40%027%0.268CS..EExtended strand (participates in β ladder)trans-117.4135.1175.1170.20000109.1V14 T31 L32 V53 L92 I93 L95V14-V38 HydrophobicContact CB-CG1 4.33Å; V14-V38 HydrophobicContact CG1-CG1 4.02Å; V14-V38 HydrophobicContact CG2-CG1 4.06Å; V14-V38 HydrophobicContact CG2-CG2 4.11Å; T31-V38 CarbonylContact O-C 3.58Å; T31-V38 VanDerWaalsContact O-CA 3.31Å; T31-V38 WeakPolarHBondContact O-CA 3.17Å; L32-V38 HydrophobicContact CD1-CG2 3.86Å; V38-V53 HydrophobicContact CG2-CG1 4.05Å; V38-V53 HydrophobicContact CG2-CG2 4.31Å; V38-L92 CarbonylContact O-C 3.6Å; V38-L92 WeakPolarHBondContact O-CA 3.29Å; V38-I93 HydrophobicContact CB-CB 4.26Å; V38-I93 PolarHBondContact N-O 3.13Å; V38-I93 PolarHBondContact O-N 3.27Å; V38-L95 HydrophobicContact CG2-CD1 4.38Å; V38-L95 HydrophobicContact CG2-CD2 4.01Å; V38-L95 HydrophobicContact CG2-CG 4.39Å
39L98Very high95.3Very high42 Ų4251 Ų5122%0.2228%0.275CS..EExtended strand (participates in β ladder)trans-93.5136.6170.4-167.968.6000109.7G30 T31 I33 I90 L92 L110G30-L39 CarbonylContact C-O 3.53Å; G30-L39 WeakPolarHBondContact CA-O 3.49Å; T31-L39 PolarHBondContact N-O 2.96Å; T31-L39 PolarHBondContact O-N 2.94Å; I33-L39 HydrophobicContact CD1-CB 4.42Å; I33-L39 HydrophobicContact CG2-CB 3.84Å; L39-I90 HydrophobicContact CD1-CD1 3.81Å; L39-I90 HydrophobicContact CD1-CG1 3.64Å; L39-I90 HydrophobicContact CD2-CD1 4.49Å; L39-I90 HydrophobicContact CG-CG1 4.35Å; L39-L92 HydrophobicContact CD1-CD2 3.59Å; L39-L92 HydrophobicContact CD1-CG 4.43Å; L39-L110 HydrophobicContact CD2-CD2 4.43Å
40T97.5Very high95.3Very high15 Ų1554.5 Ų54.59%0.09229%0.287CS..EExtended strand (participates in β ladder)trans-149.9-179.1173.5-169.20000110.2L16 G29 I45 I90 A91 I93L16-T40 HydrophobicContact CD2-CG2 4.41Å; G29-T40 PolarHBondContact O-OG1 2.75Å; T40-I45 HydrophobicContact CG2-CD1 4.07Å; T40-I90 WeakPolarHBondContact O-CA 3.36Å; T40-A91 HydrophobicContact CG2-CB 4.18Å; T40-A91 PolarHBondContact N-O 2.95Å; T40-A91 PolarHBondContact O-N 3.17Å; T40-I93 HydrophobicContact CG2-CD1 3.83Å; T40-I93 HydrophobicContact CG2-CG1 4.19Å
41A96.7Very high95.4Very high23 Ų2354.7 Ų54.719%0.1929%0.285CS..  trans-81.3146.2174.500000110.8H43 C44A41-H43 VanDerWaalsContact C-N 3.31Å; A41-H43 WeakPolarHBondContact CB-ND1 3.33Å; A41-H43 PolarHBondContact O-N 3.15Å; A41-C44 WeakPolarHBondContact O-CB 3.31Å; A41-C44 PolarHBondContact O-N 2.7Å
42A97.4Very high95.5Very high1 Ų155.1 Ų55.11%0.00828%0.281CS..G310 helixtrans-67.8-33.817800000111.7C44 I45 T77 Y81 D89 A91A42-C44 PolarHBondContact O-N 3.41Å; A42-C44 VanDerWaalsContact O-N 3.14Å; A42-I45 PolarHBondContact O-N 3.21Å; A42-T77 HydrophobicContact CB-CG2 4.39Å; A42-Y81 HydrophobicContact CB-CD1 3.72Å; A42-Y81 HydrophobicContact CB-CD2 3.57Å; A42-Y81 HydrophobicContact CB-CE1 3.98Å; A42-Y81 HydrophobicContact CB-CE2 3.85Å; A42-Y81 HydrophobicContact CB-CG 3.52Å; A42-D89 WeakPolarHBondContact CA-OD1 3.5Å; A42-D89 PolarHBondContact N-OD1 2.64Å; A42-A91 HydrophobicContact CB-CB 4.41Å
43H95.2Very high95.5Very high93 Ų9355.1 Ų55.143%0.43128%0.281SS..G310 helixtrans-64.1-17177.577.7-106.9000114A41 I45 Y81 D89A41-H43 VanDerWaalsContact C-N 3.31Å; A41-H43 WeakPolarHBondContact CB-ND1 3.33Å; A41-H43 PolarHBondContact O-N 3.15Å; H43-I45 VanDerWaalsContact C-N 3.26Å; H43-Y81 VanDerWaalsContact CA-OH 3.31Å; H43-Y81 WeakPolarHBondContact CA-OH 3.21Å; H43-Y81 WeakPolarHBondContact CB-OH 3.49Å; H43-D89 IonicContact CE1-OD2 3.53Å; H43-D89 IonicContact CG-OD1 3.84Å; H43-D89 IonicContact CG-OD2 3.75Å; H43-D89 PolarHBondContact N-OD1 3.21Å; H43-D89 IonicContact ND1-OD1 3.32Å; H43-D89 PolarHBondContact ND1-OD1 3.42Å; H43-D89 IonicContact ND1-OD2 2.69Å; H43-D89 PolarHBondContact ND1-OD2 2.78Å
44C95.9Very high95.6Very high15 Ų1554.3 Ų54.310%0.10128%0.276CS..G310 helixtrans-76-15.8175.6-68.40000113.1L16 C28 A41 A42 Y51L16-C44 HydrophobicContact CD2-CB 4.16Å; C28-C44 HydrophobicContact CB-CB 3.58Å; C28-C44 WeakPolarHBondContact CB-SG 3.44Å; C28-C44 WeakPolarHBondContact SG-CB 3.42Å; C28-C44 CovalentContact SG-SG 2.03Å; C28-C44 PolarHBondContact SG-SG 3.19Å; A41-C44 WeakPolarHBondContact O-CB 3.31Å; A41-C44 PolarHBondContact O-N 2.7Å; A42-C44 PolarHBondContact O-N 3.41Å; A42-C44 VanDerWaalsContact O-N 3.14Å; C44-Y51 PolarHBondContact O-OH 2.8Å
45I96.1Very high95.5Very high33 Ų3352.3 Ų52.317%0.16926%0.262CS..  trans-98.2126.1-172.8-51.5-52.9000110.1L16 T40 A42 H43 Y51 I75 T77 A91 I93L16-I45 HydrophobicContact CD2-CD1 3.96Å; T40-I45 HydrophobicContact CG2-CD1 4.07Å; A42-I45 PolarHBondContact O-N 3.21Å; H43-I45 VanDerWaalsContact C-N 3.26Å; I45-Y51 WeakPolarHBondContact CA-OH 3.36Å; I45-Y51 HydrophobicContact CG2-CE2 4.36Å; I45-I75 HydrophobicContact CB-CG2 4.45Å; I45-I75 HydrophobicContact CD1-CD1 4.43Å; I45-I75 HydrophobicContact CD1-CG2 4.02Å; I45-I75 HydrophobicContact CG1-CG2 3.9Å; I45-I75 HydrophobicContact CG2-CD1 4.27Å; I45-I75 HydrophobicContact CG2-CG2 3.75Å; I45-T77 HydrophobicContact CB-CG2 4.15Å; I45-T77 HydrophobicContact CG1-CG2 4.32Å; I45-T77 HydrophobicContact CG2-CG2 4.25Å; I45-A91 HydrophobicContact CG1-CB 4.07Å; I45-I93 HydrophobicContact CD1-CD1 4.22Å
46N92.3Very high95.4Very high79 Ų7948.5 Ų48.542%0.42225%0.248SC..  trans-119.4127.6172.4-174.3-1000108.5V48 D49 Y51N46-V48 PolarHBondContact O-N 3.42Å; N46-V48 VanDerWaalsContact O-N 3.11Å; N46-D49 HydrophobicContact CB-CB 4.35Å; N46-D49 WeakPolarHBondContact CB-OD2 3.39Å; N46-D49 PolarHBondContact O-N 3.4Å; N46-Y51 PolarHBondContact N-OH 3.18Å; N46-Y51 WeakPolarHBondContact O-CE2 3.3Å
47E85.3Confident95.1Very high196 Ų19646.3 Ų46.392%0.91624%0.237SC*.THydrogen-bonded Turntrans-63.4-22.1-169.7-63.8-175.1168.300114.2
48V87.2Confident94.8Very high121 Ų12144.1 Ų44.173%0.73323%0.23SC*.THydrogen-bonded Turntrans-93.4-7.8-177-59.60000113.9N46N46-V48 PolarHBondContact O-N 3.42Å; N46-V48 VanDerWaalsContact O-N 3.11Å
49D91Very high94.5Very high54 Ų5444.8 Ų44.829%0.28923%0.234SC..  trans-91.3137.8-174.2-72.4-11.6000111N46 Y51N46-D49 HydrophobicContact CB-CB 4.35Å; N46-D49 WeakPolarHBondContact CB-OD2 3.39Å; N46-D49 PolarHBondContact O-N 3.4Å; D49-Y51 HydrophobicContact CB-CD2 4.27Å; D49-Y51 HydrophobicContact CB-CE2 3.62Å; D49-Y51 VanDerWaalsContact O-CD2 3.31Å; D49-Y51 WeakPolarHBondContact O-CD2 3.12Å
50D95.3Very high94.3Very high104 Ų10444.6 Ų44.656%0.55623%0.234SC*.  trans-79.8129.6165.3-63.1-44.2000109S18 N19 W24S18-D50 CarbonylContact C-O 3.53Å; S18-D50 VanDerWaalsContact CA-O 3.3Å; S18-D50 WeakPolarHBondContact CA-O 3.39Å; N19-D50 HydrophobicContact CB-CB 3.93Å; N19-D50 PolarHBondContact N-O 3.47Å; W24-D50 HydrophobicContact CH2-CB 4.08Å; W24-D50 VanDerWaalsContact CZ3-O 3.23Å; W24-D50 WeakPolarHBondContact CZ3-O 3.31Å
51Y97.8Very high94.1Very high13 Ų1351.2 Ų51.25%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-111.8146.5-179.5-70.9-81.7000113.5L16 Q17 V27 C44 I45 N46 D49 A72 I75L16-Y51 HydrophobicContact CD1-CD1 3.61Å; L16-Y51 HydrophobicContact CD1-CE1 4.43Å; L16-Y51 HydrophobicContact CD1-CG 4.18Å; L16-Y51 HydrophobicContact CD2-CD1 4.1Å; L16-Y51 HydrophobicContact CD2-CE1 4.12Å; L16-Y51 HydrophobicContact CG-CD1 3.81Å; L16-Y51 HydrophobicContact CG-CE1 4.2Å; Q17-Y51 WeakPolarHBondContact O-CA 3.34Å; V27-Y51 HydrophobicContact CG2-CE1 4.1Å; C44-Y51 PolarHBondContact O-OH 2.8Å; I45-Y51 WeakPolarHBondContact CA-OH 3.36Å; I45-Y51 HydrophobicContact CG2-CE2 4.36Å; N46-Y51 PolarHBondContact N-OH 3.18Å; N46-Y51 WeakPolarHBondContact O-CE2 3.3Å; D49-Y51 HydrophobicContact CB-CD2 4.27Å; D49-Y51 HydrophobicContact CB-CE2 3.62Å; D49-Y51 VanDerWaalsContact O-CD2 3.31Å; D49-Y51 WeakPolarHBondContact O-CD2 3.12Å; Y51-A72 PolarHBondContact O-N 3.38Å; Y51-I75 HydrophobicContact CD2-CD1 3.53Å; Y51-I75 HydrophobicContact CE2-CD1 4.19Å; Y51-I75 HydrophobicContact CG-CD1 4.13Å
52R97.8Very high93.9Very high54 Ų5452 Ų5220%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-135.2156.7162.375.8-177.3-174.8166.75.4110.5Q17 W24 E54 L70Q17-R52 HydrophobicContact CB-CG 3.95Å; Q17-R52 PolarHBondContact N-O 2.79Å; Q17-R52 PolarHBondContact O-N 3.15Å; W24-R52 VanDerWaalsContact CD2-CD 3.43Å; W24-R52 HydrophobicContact CD2-CG 3.93Å; W24-R52 HydrophobicContact CE3-CB 4.24Å; W24-R52 HydrophobicContact CE3-CG 3.51Å; W24-R52 VanDerWaalsContact CG-NE 3.27Å; W24-R52 HydrophobicContact CH2-CB 4.01Å; W24-R52 HydrophobicContact CH2-CG 4.16Å; W24-R52 HydrophobicContact CZ3-CB 3.83Å; W24-R52 HydrophobicContact CZ3-CG 3.63Å; R52-E54 IonicContact CZ-OE1 3.31Å; R52-E54 VanDerWaalsContact CZ-OE1 3.31Å; R52-E54 IonicContact NE-OE1 3.81Å; R52-E54 IonicContact NH2-OE1 2.66Å; R52-E54 PolarHBondContact NH2-OE1 2.98Å; R52-L70 CarbonylContact C-O 3.54Å; R52-L70 VanDerWaalsContact CA-O 3.3Å; R52-L70 WeakPolarHBondContact CA-O 3.5Å; R52-L70 WeakPolarHBondContact CB-O 3.13Å
53V97.9Very high93.7Very high0 Ų058.9 Ų58.90%031%0.31CS..EExtended strand (participates in β ladder)trans-108.9122.8175.9164.40000108.2V14 L16 V38 L55 A69 L70 I93 L95V14-V53 HydrophobicContact CB-CG1 4.39Å; V14-V53 HydrophobicContact CG1-CB 4.21Å; V14-V53 HydrophobicContact CG1-CG1 3.42Å; V14-V53 VanDerWaalsContact CG1-CG1 3.42Å; V14-V53 HydrophobicContact CG1-CG2 4.12Å; V14-V53 HydrophobicContact CG2-CG1 4.14Å; L16-V53 HydrophobicContact CD1-CG2 4.22Å; V38-V53 HydrophobicContact CG2-CG1 4.05Å; V38-V53 HydrophobicContact CG2-CG2 4.31Å; V53-L55 HydrophobicContact CG1-CD1 4Å; V53-L55 HydrophobicContact CG1-CD2 4.42Å; V53-L55 HydrophobicContact CG1-CG 3.78Å; V53-A69 CarbonylContact O-C 3.31Å; V53-A69 WeakPolarHBondContact O-CA 3.48Å; V53-L70 PolarHBondContact N-O 2.92Å; V53-L70 PolarHBondContact O-N 3.03Å; V53-I93 HydrophobicContact CG2-CG2 4.28Å; V53-L95 HydrophobicContact CB-CD2 3.74Å; V53-L95 HydrophobicContact CG1-CD2 4.03Å; V53-L95 HydrophobicContact CG2-CD2 3.83Å
54E97.1Very high93.5Very high24 Ų2456.4 Ų56.411%0.11230%0.298CS..EExtended strand (participates in β ladder)trans-97.5127.4166.5-76.6-168.9178.100110.7S15 Q17 R52 K57 V68 A69S15-E54 PolarHBondContact N-O 2.85Å; S15-E54 PolarHBondContact O-N 2.83Å; Q17-E54 PolarHBondContact NE2-OE1 3.1Å; Q17-E54 PolarHBondContact NE2-OE2 2.84Å; Q17-E54 PolarHBondContact OE1-OE1 3.07Å; R52-E54 IonicContact CZ-OE1 3.31Å; R52-E54 VanDerWaalsContact CZ-OE1 3.31Å; R52-E54 IonicContact NE-OE1 3.81Å; R52-E54 IonicContact NH2-OE1 2.66Å; R52-E54 PolarHBondContact NH2-OE1 2.98Å; E54-K57 HydrophobicContact CB-CG 4.19Å; E54-K57 WeakPolarHBondContact OE2-CE 3.21Å; E54-V68 WeakPolarHBondContact CA-O 3.32Å; E54-A69 HydrophobicContact CG-CB 3.8Å
55L95.8Very high93.3Very high0 Ų065.2 Ų65.20%034%0.338CS..EExtended strand (participates in β ladder)trans-120.5157.5-177.9-74.9157.7000110.7V14 L32 V53 K57 S67 V68 L95 V99 I105V14-L55 HydrophobicContact CG2-CD2 3.5Å; V14-L55 VanDerWaalsContact CG2-CD2 3.5Å; V14-L55 HydrophobicContact CG2-CG 4.38Å; L32-L55 HydrophobicContact CB-CD2 4.13Å; L32-L55 HydrophobicContact CD1-CD1 4.25Å; L32-L55 HydrophobicContact CD1-CD2 4.3Å; L32-L55 HydrophobicContact CD2-CD2 4.23Å; L32-L55 HydrophobicContact CG-CD2 4.47Å; V53-L55 HydrophobicContact CG1-CD1 4Å; V53-L55 HydrophobicContact CG1-CD2 4.42Å; V53-L55 HydrophobicContact CG1-CG 3.78Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 2.81Å; L55-S67 WeakPolarHBondContact O-CA 3.23Å; L55-S67 WeakPolarHBondContact O-CB 3.36Å; L55-V68 HydrophobicContact CB-CG1 3.99Å; L55-V68 HydrophobicContact CD1-CG1 4.45Å; L55-V68 PolarHBondContact N-O 2.88Å; L55-V68 PolarHBondContact O-N 2.87Å; L55-V68 VanDerWaalsContact O-N 3.07Å; L55-L95 HydrophobicContact CD1-CD1 4.21Å; L55-V99 HydrophobicContact CD1-CB 4.24Å; L55-V99 HydrophobicContact CD1-CG1 4.22Å; L55-V99 HydrophobicContact CD1-CG2 4.02Å; L55-I105 HydrophobicContact CB-CD1 3.95Å; L55-I105 HydrophobicContact CB-CG1 4.25Å
56G93.6Very high93Very high11 Ų1165.9 Ų65.911%0.11335%0.353CS..SBendtrans70.622.5177.100000113.5
57K91.8Very high93.1Very high22 Ų2264 Ų6410%0.09635%0.347CS..  trans-99.6142.4-175.9-68.4-80.1-77.6172.70111.1E54 L55 S59 L60 A62 E64 W128E54-K57 HydrophobicContact CB-CG 4.19Å; E54-K57 WeakPolarHBondContact OE2-CE 3.21Å; L55-K57 VanDerWaalsContact C-N 3.26Å; L55-K57 PolarHBondContact O-N 2.81Å; K57-S59 WeakPolarHBondContact CE-O 3.31Å; K57-S59 PolarHBondContact NZ-O 2.61Å; K57-L60 PolarHBondContact NZ-O 2.87Å; K57-A62 PolarHBondContact NZ-O 2.81Å; K57-E64 VanDerWaalsContact CA-OE2 3.29Å; K57-E64 WeakPolarHBondContact CA-OE2 3.49Å; K57-W128 HydrophobicContact CB-CH2 4.42Å; K57-W128 HydrophobicContact CB-CZ2 4.27Å; K57-W128 WeakPolarHBondContact O-CZ2 3.39Å
58H92Very high93.6Very high26 Ų2657 Ų5712%0.1232%0.317CS..SBendtrans-116.3-40.2165.3178.163.4000111.9A3 V5 E64 W128 I140 L141A3-H58 PolarHBondContact O-CE1 2.92Å; A3-H58 PolarHBondContact O-NE2 3.04Å; V5-H58 HydrophobicContact CB-CB 4.4Å; V5-H58 HydrophobicContact CG1-CB 4.31Å; V5-H58 HydrophobicContact CG2-CB 3.58Å; V5-H58 VanDerWaalsContact CG2-CG 3.46Å; H58-E64 WeakPolarHBondContact CB-OE1 3.36Å; H58-E64 PolarHBondContact N-OE2 2.85Å; H58-W128 PolarHBondContact O-NE1 3.34Å; H58-I140 VanDerWaalsContact CE1-CG2 3.49Å; H58-I140 WeakPolarHBondContact CE1-CG2 3.33Å; H58-I140 VanDerWaalsContact NE2-CG2 3.29Å; H58-I140 WeakPolarHBondContact NE2-CG2 3.23Å; H58-L141 PolarHBondContact O-N 2.69Å
59S93.8Very high94.1Very high14 Ų1453.4 Ų53.410%0.09830%0.3CS..BIsolated β-bridgetrans-109.2123.6173.11750000110.9K57 K61 A62 E64 D139K57-S59 WeakPolarHBondContact CE-O 3.31Å; K57-S59 PolarHBondContact NZ-O 2.61Å; S59-K61 PolarHBondContact O-N 2.98Å; S59-K61 PolarHBondContact OG-N 3.16Å; S59-A62 PolarHBondContact O-N 2.89Å; S59-A62 PolarHBondContact OG-N 3.26Å; S59-E64 PolarHBondContact N-OE1 3.4Å; S59-E64 VanDerWaalsContact N-OE1 3.15Å; S59-E64 PolarHBondContact N-OE2 2.66Å; S59-D139 CarbonylContact C-O 3.59Å; S59-D139 WeakPolarHBondContact CA-O 3.2Å
60L93Very high94.4Very high39 Ų3951.8 Ų51.820%0.20429%0.291CS..SBendtrans-60.6-27.6175.5-69.4179.1000112.5S15 H26 K57 W128 D139S15-L60 WeakPolarHBondContact OG-CD2 3.3Å; H26-L60 HydrophobicContact CB-CD1 3.81Å; H26-L60 HydrophobicContact CB-CD2 4.25Å; K57-L60 PolarHBondContact NZ-O 2.87Å; L60-W128 HydrophobicContact CD1-CB 3.63Å; L60-W128 HydrophobicContact CD1-CD2 4.35Å; L60-W128 HydrophobicContact CD1-CG 3.69Å; L60-W128 HydrophobicContact CD2-CD2 4Å; L60-W128 HydrophobicContact CD2-CE3 4.36Å; L60-W128 HydrophobicContact CD2-CG 4.18Å; L60-W128 HydrophobicContact CG-CB 4.26Å; L60-W128 HydrophobicContact CG-CD2 4.06Å; L60-W128 HydrophobicContact CG-CG 3.74Å; L60-D139 PolarHBondContact N-O 3.28Å
61K93.4Very high94.6Very high153 Ų15350 Ų5067%0.66529%0.286SS*.SBendtrans-93.4-24.9-176.9-69.9179.9176.6158.90114.4S59 D139S59-K61 PolarHBondContact O-N 2.98Å; S59-K61 PolarHBondContact OG-N 3.16Å; K61-D139 HydrophobicContact CD-CB 4.42Å; K61-D139 WeakPolarHBondContact CD-OD1 3.29Å; K61-D139 VanDerWaalsContact CE-CG 3.48Å; K61-D139 WeakPolarHBondContact CE-OD1 3.31Å; K61-D139 WeakPolarHBondContact CE-OD2 3.42Å; K61-D139 IonicContact NZ-OD1 2.97Å; K61-D139 PolarHBondContact NZ-OD1 2.05Å; K61-D139 IonicContact NZ-OD2 2.7Å; K61-D139 PolarHBondContact NZ-OD2 3.02Å
62A92.8Very high94.6Very high39 Ų3950.6 Ų50.632%0.32229%0.294SS..SBendtrans-81.6149.7-177.700000111.3K57 S59 E64K57-A62 PolarHBondContact NZ-O 2.81Å; S59-A62 PolarHBondContact O-N 2.89Å; S59-A62 PolarHBondContact OG-N 3.26Å; A62-E64 HydrophobicContact CB-CG 4.07Å
63T92.3Very high94.5Very high147 Ų14752.1 Ų52.190%0.90231%0.31SS*.  trans-86.2123.3162.2-58.40000107.4
64E92Very high94.5Very high41 Ų4157.9 Ų57.919%0.19234%0.335CS..  trans-120.1131.6-173.2-66.6172.7133.600109.1K57 H58 S59 A62 G66 S67K57-E64 VanDerWaalsContact CA-OE2 3.29Å; K57-E64 WeakPolarHBondContact CA-OE2 3.49Å; H58-E64 WeakPolarHBondContact CB-OE1 3.36Å; H58-E64 PolarHBondContact N-OE2 2.85Å; S59-E64 PolarHBondContact N-OE1 3.4Å; S59-E64 VanDerWaalsContact N-OE1 3.15Å; S59-E64 PolarHBondContact N-OE2 2.66Å; A62-E64 HydrophobicContact CB-CG 4.07Å; E64-G66 PolarHBondContact O-N 3.3Å; E64-S67 WeakPolarHBondContact O-CB 3.44Å; E64-S67 PolarHBondContact O-N 2.98Å; E64-S67 VanDerWaalsContact O-N 3.11Å; E64-S67 PolarHBondContact O-OG 2.84Å
65E91.3Very high94.6Very high199 Ų19959.4 Ų59.493%0.9334%0.343SS*.THydrogen-bonded Turntrans-60.5136.8177.5-171.8175.4-179.900110.2S67E65-S67 PolarHBondContact O-N 3.17Å
66G89.9Confident94.7Very high48 Ų4862.6 Ų62.650%0.49536%0.36SS..THydrogen-bonded Turntrans79.1-7.4-176.200000114.8E64 I105E64-G66 PolarHBondContact O-N 3.3Å; G66-I105 WeakPolarHBondContact O-CD1 3.45Å
67S94Very high94.9Very high40 Ų4065.1 Ų65.128%0.2837%0.373SS..  trans-71.5145.4170.5700000111.4L55 E64 E65L55-S67 WeakPolarHBondContact O-CA 3.23Å; L55-S67 WeakPolarHBondContact O-CB 3.36Å; E64-S67 WeakPolarHBondContact O-CB 3.44Å; E64-S67 PolarHBondContact O-N 2.98Å; E64-S67 VanDerWaalsContact O-N 3.11Å; E64-S67 PolarHBondContact O-OG 2.84Å; E65-S67 PolarHBondContact O-N 3.17Å
68V96.4Very high95.2Very high48 Ų4867.8 Ų67.829%0.29139%0.386SS..EExtended strand (participates in β ladder)trans-141.9140.9-177.264.50000110.9E54 L55 L70 V99 I105E54-V68 WeakPolarHBondContact CA-O 3.32Å; L55-V68 HydrophobicContact CB-CG1 3.99Å; L55-V68 HydrophobicContact CD1-CG1 4.45Å; L55-V68 PolarHBondContact N-O 2.88Å; L55-V68 PolarHBondContact O-N 2.87Å; L55-V68 VanDerWaalsContact O-N 3.07Å; V68-L70 HydrophobicContact CG2-CD2 4.07Å; V68-L70 HydrophobicContact CG2-CG 4.04Å; V68-V99 HydrophobicContact CG1-CG2 3.62Å; V68-I105 HydrophobicContact CG1-CD1 3.83Å
69A97.2Very high95.4Very high46 Ų4675.9 Ų75.938%0.3842%0.424SS..EExtended strand (participates in β ladder)trans-111.6120.6174.400000109.5V53 E54V53-A69 CarbonylContact O-C 3.31Å; V53-A69 WeakPolarHBondContact O-CA 3.48Å; E54-A69 HydrophobicContact CG-CB 3.8Å
70L98.1Very high95.6Very high20 Ų2076.7 Ų76.711%0.10543%0.434CS..EExtended strand (participates in β ladder)trans-122.9132.8-179.6-64.4173.9000110.3R52 V53 V68 L95 V99R52-L70 CarbonylContact C-O 3.54Å; R52-L70 VanDerWaalsContact CA-O 3.3Å; R52-L70 WeakPolarHBondContact CA-O 3.5Å; R52-L70 WeakPolarHBondContact CB-O 3.13Å; V53-L70 PolarHBondContact N-O 2.92Å; V53-L70 PolarHBondContact O-N 3.03Å; V68-L70 HydrophobicContact CG2-CD2 4.07Å; V68-L70 HydrophobicContact CG2-CG 4.04Å; L70-L95 HydrophobicContact CB-CB 4.45Å; L70-L95 HydrophobicContact CB-CD2 4.39Å; L70-L95 HydrophobicContact CD1-CB 4.31Å; L70-L95 HydrophobicContact CD1-CD1 3.99Å; L70-V99 HydrophobicContact CD1-CB 4.08Å; L70-V99 HydrophobicContact CD1-CG2 4.32Å
71S98.1Very high95.8Very high65 Ų6578 Ų7846%0.45544%0.437SS..EExtended strand (participates in β ladder)trans-66147.8176.3-58.60000111.6S96S71-S96 PolarHBondContact O-N 2.97Å
72A97.9Very high95.8Very high26 Ų2673.7 Ų73.722%0.21542%0.421CS..EExtended strand (participates in β ladder)trans-76.1119.8167.900000109.8Y51 I75 I93Y51-A72 PolarHBondContact O-N 3.38Å; A72-I75 HydrophobicContact CB-CD1 4.22Å; A72-I75 HydrophobicContact CB-CG1 4.15Å; A72-I93 HydrophobicContact CB-CG2 3.55Å
73T97.4Very high95.8Very high87 Ų8776.4 Ų76.453%0.53443%0.433SS..EExtended strand (participates in β ladder)trans-93.9-23.6176.353.10000113.3K94 L95 S96T73-K94 PolarHBondContact N-O 3Å; T73-K94 PolarHBondContact OG1-O 3.3Å; T73-L95 PolarHBondContact OG1-O 3.5Å; T73-S96 VanDerWaalsContact CG2-CA 3.44Å
74K97.4Very high95.7Very high120 Ų12076.9 Ų76.952%0.52243%0.429SS..EExtended strand (participates in β ladder)trans-150.8137175.5-172.7174.6-177.7178.50109.1I76 I93 K94K74-I76 HydrophobicContact CD-CD1 4.19Å; K74-I76 HydrophobicContact CD-CG1 4.22Å; K74-I76 HydrophobicContact CG-CG1 4.11Å; K74-I93 WeakPolarHBondContact O-CA 3.39Å; K74-K94 HydrophobicContact CB-CB 3.94Å; K74-K94 PolarHBondContact O-N 3.15Å
75I98.2Very high95.6Very high57 Ų5779.6 Ų79.629%0.29245%0.445SS..EExtended strand (participates in β ladder)trans-120.8133.6171.6-52.6178.5000107.5I45 Y51 A72 L92 I93I45-I75 HydrophobicContact CB-CG2 4.45Å; I45-I75 HydrophobicContact CD1-CD1 4.43Å; I45-I75 HydrophobicContact CD1-CG2 4.02Å; I45-I75 HydrophobicContact CG1-CG2 3.9Å; I45-I75 HydrophobicContact CG2-CD1 4.27Å; I45-I75 HydrophobicContact CG2-CG2 3.75Å; Y51-I75 HydrophobicContact CD2-CD1 3.53Å; Y51-I75 HydrophobicContact CE2-CD1 4.19Å; Y51-I75 HydrophobicContact CG-CD1 4.13Å; A72-I75 HydrophobicContact CB-CD1 4.22Å; A72-I75 HydrophobicContact CB-CG1 4.15Å; I75-L92 CarbonylContact C-O 3.51Å; I75-L92 WeakPolarHBondContact CA-O 3.39Å; I75-I93 HydrophobicContact CG1-CG1 4.29Å; I75-I93 HydrophobicContact CG2-CG1 4.29Å
76I98.1Very high95.5Very high67 Ų6773.3 Ų73.334%0.34442%0.423SS..EExtended strand (participates in β ladder)trans-125.3101.5-179.5-52.9175.1000106.8W37 K74 A91 L92W37-I76 HydrophobicContact CH2-CD1 3.98Å; W37-I76 HydrophobicContact CZ3-CD1 4.08Å; K74-I76 HydrophobicContact CD-CD1 4.19Å; K74-I76 HydrophobicContact CD-CG1 4.22Å; K74-I76 HydrophobicContact CG-CG1 4.11Å; I76-A91 CarbonylContact O-C 3.59Å; I76-A91 VanDerWaalsContact O-CA 3.23Å; I76-A91 WeakPolarHBondContact O-CA 3.41Å; I76-L92 HydrophobicContact CB-CB 4.39Å; I76-L92 PolarHBondContact N-O 3.34Å; I76-L92 PolarHBondContact O-N 2.85Å
77T98.1Very high95.7Very high64 Ų6473.8 Ų73.839%0.39341%0.41SS..EExtended strand (participates in β ladder)trans-78.4146169.149.60000109.4A42 I45 E79 A91A42-T77 HydrophobicContact CB-CG2 4.39Å; I45-T77 HydrophobicContact CB-CG2 4.15Å; I45-T77 HydrophobicContact CG1-CG2 4.32Å; I45-T77 HydrophobicContact CG2-CG2 4.25Å; T77-E79 PolarHBondContact O-N 2.82Å; T77-A91 HydrophobicContact CG2-CB 4.12Å
78H97.9Very high95.8Very high78 Ų7874.1 Ų74.136%0.36141%0.409SS..  trans-61.2130.7176.6-171.7-70.2000110.5G80 Y81 N88 I90H78-G80 PolarHBondContact ND1-N 2.86Å; H78-G80 PolarHBondContact O-N 2.95Å; H78-Y81 WeakPolarHBondContact O-CB 3.31Å; H78-Y81 PolarHBondContact O-N 2.65Å; H78-N88 HydrophobicContact CB-CB 4.35Å; H78-N88 WeakPolarHBondContact ND1-CB 3.3Å; H78-I90 HydrophobicContact CB-CG2 3.64Å; H78-I90 WeakPolarHBondContact CB-O 3.15Å; H78-I90 PolarHBondContact N-O 2.82Å
79E97.2Very high95.8Very high196 Ų19674.5 Ų74.592%0.91641%0.409SS*.THydrogen-bonded Turntrans-58.8-33.1-17562.4-176-174.500113.8T77 Y81T77-E79 PolarHBondContact O-N 2.82Å; E79-Y81 VanDerWaalsContact C-N 3.33Å
80G97.1Very high95.8Very high31 Ų3175.8 Ų75.832%0.3241%0.408SS..THydrogen-bonded Turntrans-86.611.617400000115.2H78 N82 N88H78-G80 PolarHBondContact ND1-N 2.86Å; H78-G80 PolarHBondContact O-N 2.95Å; G80-N82 PolarHBondContact O-N 2.9Å; G80-N88 PolarHBondContact O-ND2 3.24Å
81Y96.8Very high95.9Very high67 Ų6774.9 Ų74.926%0.26340%0.404SS..  trans-60.3128.5178.4172.7-123.4000110.3A42 H43 H78 E79 V83 R87 D89A42-Y81 HydrophobicContact CB-CD1 3.72Å; A42-Y81 HydrophobicContact CB-CD2 3.57Å; A42-Y81 HydrophobicContact CB-CE1 3.98Å; A42-Y81 HydrophobicContact CB-CE2 3.85Å; A42-Y81 HydrophobicContact CB-CG 3.52Å; H43-Y81 VanDerWaalsContact CA-OH 3.31Å; H43-Y81 WeakPolarHBondContact CA-OH 3.21Å; H43-Y81 WeakPolarHBondContact CB-OH 3.49Å; H78-Y81 WeakPolarHBondContact O-CB 3.31Å; H78-Y81 PolarHBondContact O-N 2.65Å; E79-Y81 VanDerWaalsContact C-N 3.33Å; Y81-V83 HydrophobicContact CE1-CB 4.23Å; Y81-R87 WeakPolarHBondContact CA-O 3.49Å; Y81-R87 WeakPolarHBondContact CD2-O 3.42Å; Y81-D89 HydrophobicContact CD2-CB 4.28Å; Y81-D89 HydrophobicContact CE2-CB 4.07Å
82N94.6Very high95.9Very high61 Ų6174.5 Ų74.533%0.32640%0.397SS..BIsolated β-bridgetrans-130.1108177.8-175-46.1000109.4G80 L84 L85 S86 R87G80-N82 PolarHBondContact O-N 2.9Å; N82-L84 VanDerWaalsContact C-N 3.34Å; N82-L84 PolarHBondContact O-N 3.12Å; N82-L84 WeakPolarHBondContact OD1-CB 3.27Å; N82-L84 PolarHBondContact OD1-N 3.4Å; N82-L85 PolarHBondContact O-N 3.24Å; N82-L85 PolarHBondContact OD1-N 2.87Å; N82-S86 VanDerWaalsContact O-CA 3.31Å; N82-S86 WeakPolarHBondContact O-CA 3.42Å; N82-S86 PolarHBondContact O-N 2.87Å; N82-R87 HydrophobicContact CB-CB 4.24Å; N82-R87 PolarHBondContact N-O 3.48Å; N82-R87 PolarHBondContact O-N 2.92Å
83V91.3Very high95.9Very high97 Ų9773.3 Ų73.359%0.58839%0.387SS*.THydrogen-bonded Turntrans-63.8-35.3-178.765.80000113.1Y81 L85Y81-V83 HydrophobicContact CE1-CB 4.23Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 2.94Å
84L90.6Very high96Very high156 Ų15672.7 Ų72.782%0.81738%0.377SS*.THydrogen-bonded Turntrans-70.7-31.6-176.7-63.8175.9000112.2N82N82-L84 VanDerWaalsContact C-N 3.34Å; N82-L84 PolarHBondContact O-N 3.12Å; N82-L84 WeakPolarHBondContact OD1-CB 3.27Å; N82-L84 PolarHBondContact OD1-N 3.4Å
85L89.7Confident96Very high98 Ų9867 Ų6751%0.51335%0.352SS..THydrogen-bonded Turntrans-107.32-178.4-59.6178.4000112.6N82 V83 R87N82-L85 PolarHBondContact O-N 3.24Å; N82-L85 PolarHBondContact OD1-N 2.87Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 2.94Å; L85-R87 HydrophobicContact CB-CG 3.62Å; L85-R87 WeakPolarHBondContact O-CG 2.97Å; L85-R87 PolarHBondContact O-N 3.3Å; L85-R87 PolarHBondContact O-NH1 3.41Å
86S88.9Confident96Very high68 Ų6867.1 Ų67.148%0.47636%0.358SS..THydrogen-bonded Turntrans45.445.3-171.4-540000112.7N82 M168N82-S86 VanDerWaalsContact O-CA 3.31Å; N82-S86 WeakPolarHBondContact O-CA 3.42Å; N82-S86 PolarHBondContact O-N 2.87Å; S86-M168 WeakPolarHBondContact O-CE 3.37Å
87R94.6Very high96Very high57 Ų5766.4 Ų66.422%0.21536%0.359CS..BIsolated β-bridgetrans-100143.5-178.1-60.6-62.2-176.9-117.314.3111Y81 N82 L85 D89 V162 L163Y81-R87 WeakPolarHBondContact CA-O 3.49Å; Y81-R87 WeakPolarHBondContact CD2-O 3.42Å; N82-R87 HydrophobicContact CB-CB 4.24Å; N82-R87 PolarHBondContact N-O 3.48Å; N82-R87 PolarHBondContact O-N 2.92Å; L85-R87 HydrophobicContact CB-CG 3.62Å; L85-R87 WeakPolarHBondContact O-CG 2.97Å; L85-R87 PolarHBondContact O-N 3.3Å; L85-R87 PolarHBondContact O-NH1 3.41Å; R87-D89 PolarHBondContact O-N 2.97Å; R87-V162 PolarHBondContact NH2-O 3.06Å; R87-L163 PolarHBondContact NH1-O 3.41Å; R87-L163 PolarHBondContact NH2-O 3.06Å
88N96.3Very high96Very high48 Ų4866.9 Ų66.926%0.25736%0.363SS..SBendtrans49.845.4179.8-47-56.2000111.8H78 G80 I90H78-N88 HydrophobicContact CB-CB 4.35Å; H78-N88 WeakPolarHBondContact ND1-CB 3.3Å; G80-N88 PolarHBondContact O-ND2 3.24Å; N88-I90 PolarHBondContact O-N 2.96Å
89D96.7Very high96Very high55 Ų5563.5 Ų63.529%0.29435%0.348SS..  trans-78.671.2-175.7-17417.2000111.2A42 H43 Y81 R87A42-D89 WeakPolarHBondContact CA-OD1 3.5Å; A42-D89 PolarHBondContact N-OD1 2.64Å; H43-D89 IonicContact CE1-OD2 3.53Å; H43-D89 IonicContact CG-OD1 3.84Å; H43-D89 IonicContact CG-OD2 3.75Å; H43-D89 PolarHBondContact N-OD1 3.21Å; H43-D89 IonicContact ND1-OD1 3.32Å; H43-D89 PolarHBondContact ND1-OD1 3.42Å; H43-D89 IonicContact ND1-OD2 2.69Å; H43-D89 PolarHBondContact ND1-OD2 2.78Å; Y81-D89 HydrophobicContact CD2-CB 4.28Å; Y81-D89 HydrophobicContact CE2-CB 4.07Å; R87-D89 PolarHBondContact O-N 2.97Å
90I97.9Very high95.9Very high73 Ų7357.9 Ų57.937%0.37434%0.335SS..  trans-146.4138.7-174-164.4172.9000110.4L39 T40 H78 N88L39-I90 HydrophobicContact CD1-CD1 3.81Å; L39-I90 HydrophobicContact CD1-CG1 3.64Å; L39-I90 HydrophobicContact CD2-CD1 4.49Å; L39-I90 HydrophobicContact CG-CG1 4.35Å; T40-I90 WeakPolarHBondContact O-CA 3.36Å; H78-I90 HydrophobicContact CB-CG2 3.64Å; H78-I90 WeakPolarHBondContact CB-O 3.15Å; H78-I90 PolarHBondContact N-O 2.82Å; N88-I90 PolarHBondContact O-N 2.96Å
91A98.3Very high95.8Very high2 Ų260.7 Ų60.72%0.01734%0.342CS..EExtended strand (participates in β ladder)trans-144153.3177.700000111.4T40 A42 I45 I76 T77T40-A91 HydrophobicContact CG2-CB 4.18Å; T40-A91 PolarHBondContact N-O 2.95Å; T40-A91 PolarHBondContact O-N 3.17Å; A42-A91 HydrophobicContact CB-CB 4.41Å; I45-A91 HydrophobicContact CG1-CB 4.07Å; I76-A91 CarbonylContact O-C 3.59Å; I76-A91 VanDerWaalsContact O-CA 3.23Å; I76-A91 WeakPolarHBondContact O-CA 3.41Å; T77-A91 HydrophobicContact CG2-CB 4.12Å
92L98.6Very high95.6Very high57 Ų5759.7 Ų59.730%0.29835%0.345SS..EExtended strand (participates in β ladder)trans-112.3136.2174.4-69.1173.1000110.4I33 W37 V38 L39 I75 I76I33-L92 HydrophobicContact CD1-CD2 3.64Å; W37-L92 HydrophobicContact CE3-CB 3.98Å; W37-L92 HydrophobicContact CZ3-CB 3.98Å; V38-L92 CarbonylContact O-C 3.6Å; V38-L92 WeakPolarHBondContact O-CA 3.29Å; L39-L92 HydrophobicContact CD1-CD2 3.59Å; L39-L92 HydrophobicContact CD1-CG 4.43Å; I75-L92 CarbonylContact C-O 3.51Å; I75-L92 WeakPolarHBondContact CA-O 3.39Å; I76-L92 HydrophobicContact CB-CB 4.39Å; I76-L92 PolarHBondContact N-O 3.34Å; I76-L92 PolarHBondContact O-N 2.85Å
93I98.6Very high95.3Very high1 Ų164.7 Ų64.71%0.00537%0.372CS..EExtended strand (participates in β ladder)trans-114.9123.4173.9-58.8174.7000108.3L16 W37 V38 T40 I45 V53 A72 K74 I75L16-I93 HydrophobicContact CD1-CD1 3.54Å; L16-I93 HydrophobicContact CD2-CD1 4.02Å; L16-I93 HydrophobicContact CG-CD1 4.4Å; W37-I93 WeakPolarHBondContact CA-O 3.39Å; V38-I93 HydrophobicContact CB-CB 4.26Å; V38-I93 PolarHBondContact N-O 3.13Å; V38-I93 PolarHBondContact O-N 3.27Å; T40-I93 HydrophobicContact CG2-CD1 3.83Å; T40-I93 HydrophobicContact CG2-CG1 4.19Å; I45-I93 HydrophobicContact CD1-CD1 4.22Å; V53-I93 HydrophobicContact CG2-CG2 4.28Å; A72-I93 HydrophobicContact CB-CG2 3.55Å; K74-I93 WeakPolarHBondContact O-CA 3.39Å; I75-I93 HydrophobicContact CG1-CG1 4.29Å; I75-I93 HydrophobicContact CG2-CG1 4.29Å
94K98.6Very high95.2Very high73 Ų7362.4 Ų62.432%0.31736%0.358SS..EExtended strand (participates in β ladder)trans-88124.9169.3-164.6179.4179.9179.70109.7E36 W37 T73 K74E36-K94 CarbonylContact O-C 3.58Å; E36-K94 WeakPolarHBondContact O-CA 3.22Å; W37-K94 HydrophobicContact CD2-CB 4.42Å; W37-K94 HydrophobicContact CD2-CG 4.41Å; W37-K94 HydrophobicContact CE3-CB 4.02Å; W37-K94 HydrophobicContact CE3-CG 4.5Å; W37-K94 HydrophobicContact CH2-CB 3.82Å; W37-K94 HydrophobicContact CH2-CD 4.14Å; W37-K94 HydrophobicContact CH2-CG 4.12Å; W37-K94 HydrophobicContact CZ2-CB 4.2Å; W37-K94 HydrophobicContact CZ2-CD 3.88Å; W37-K94 HydrophobicContact CZ2-CG 3.98Å; W37-K94 HydrophobicContact CZ3-CB 3.72Å; W37-K94 HydrophobicContact CZ3-CG 4.37Å; T73-K94 PolarHBondContact N-O 3Å; T73-K94 PolarHBondContact OG1-O 3.3Å; K74-K94 HydrophobicContact CB-CB 3.94Å; K74-K94 PolarHBondContact O-N 3.15Å
95L98.6Very high95.3Very high2 Ų255.1 Ų55.11%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-72.2159.8176.7-55.6-179.6000111.1L32 E36 V38 V53 L55 L70 T73 S97L32-L95 HydrophobicContact CD1-CD1 4.14Å; E36-L95 PolarHBondContact O-N 3.42Å; V38-L95 HydrophobicContact CG2-CD1 4.38Å; V38-L95 HydrophobicContact CG2-CD2 4.01Å; V38-L95 HydrophobicContact CG2-CG 4.39Å; V53-L95 HydrophobicContact CB-CD2 3.74Å; V53-L95 HydrophobicContact CG1-CD2 4.03Å; V53-L95 HydrophobicContact CG2-CD2 3.83Å; L55-L95 HydrophobicContact CD1-CD1 4.21Å; L70-L95 HydrophobicContact CB-CB 4.45Å; L70-L95 HydrophobicContact CB-CD2 4.39Å; L70-L95 HydrophobicContact CD1-CB 4.31Å; L70-L95 HydrophobicContact CD1-CD1 3.99Å; T73-L95 PolarHBondContact OG1-O 3.5Å; L95-S97 PolarHBondContact O-N 3.45Å
96S98.4Very high95.5Very high59 Ų5952.8 Ų52.841%0.41331%0.31SS..SBendtrans-69.5-21.1177.557.80000114.7S71 T73S71-S96 PolarHBondContact O-N 2.97Å; T73-S96 VanDerWaalsContact CG2-CA 3.44Å
97S98.3Very high95.7Very high51 Ų5151 Ų5136%0.35730%0.296SS..SBendtrans-159.1160.1175.254.70000109.9L95 V99L95-S97 PolarHBondContact O-N 3.45Å; S97-V99 PolarHBondContact O-N 2.79Å
98P98.1Very high95.7Very high74 Ų7449.1 Ų49.148%0.48129%0.293SS..PPolyproline II helixtrans-59.8130.9172.3-1726.3000111.5Q35 E36Q35-P98 HydrophobicContact CB-CB 4.11Å; Q35-P98 CarbonylContact O-C 3.58Å; Q35-P98 WeakPolarHBondContact O-CA 3.37Å; E36-P98 VanDerWaalsContact CG-CA 3.48Å; E36-P98 HydrophobicContact CG-CB 3.76Å; E36-P98 HydrophobicContact CG-CG 3.66Å; E36-P98 WeakPolarHBondContact OE1-CD 3.35Å
99V96.8Very high95.4Very high7 Ų753.1 Ų53.14%0.04232%0.323CS..PPolyproline II helixtrans-78.4139.9172.8750000110.9L32 Q35 L55 V68 L70 S97 L101 I105L32-V99 HydrophobicContact CD1-CG1 4.33Å; L32-V99 HydrophobicContact CD2-CG1 3.87Å; Q35-V99 PolarHBondContact NE2-O 3.34Å; Q35-V99 PolarHBondContact O-N 2.89Å; L55-V99 HydrophobicContact CD1-CB 4.24Å; L55-V99 HydrophobicContact CD1-CG1 4.22Å; L55-V99 HydrophobicContact CD1-CG2 4.02Å; V68-V99 HydrophobicContact CG1-CG2 3.62Å; L70-V99 HydrophobicContact CD1-CB 4.08Å; L70-V99 HydrophobicContact CD1-CG2 4.32Å; S97-V99 PolarHBondContact O-N 2.79Å; V99-L101 HydrophobicContact CG1-CD2 4.44Å; V99-I105 HydrophobicContact CB-CG2 4.48Å; V99-I105 HydrophobicContact CG1-CG2 3.74Å; V99-I105 HydrophobicContact CG2-CD1 4.05Å; V99-I105 HydrophobicContact CG2-CG2 3.88Å
100A95.9Very high95.2Very high78 Ų7855.6 Ų55.665%0.64534%0.336SS*.PPolyproline II helixtrans-71.6131.3170.400000109.6
101L94.6Very high94.9Very high91 Ų9157 Ų5748%0.47635%0.35SS..PPolyproline II helixtrans-77.3147.7178.5-56.5-172.2000111Q35 V99 I105 P107Q35-L101 HydrophobicContact CG-CD1 4.38Å; Q35-L101 HydrophobicContact CG-CD2 3.83Å; Q35-L101 HydrophobicContact CG-CG 4.09Å; V99-L101 HydrophobicContact CG1-CD2 4.44Å; L101-I105 CarbonylContact C-O 3.55Å; L101-I105 VanDerWaalsContact CA-O 3.26Å; L101-I105 WeakPolarHBondContact CA-O 3.48Å; L101-P107 HydrophobicContact CD2-CG 4.07Å
102S92.1Very high94.6Very high46 Ų4664.6 Ų64.632%0.32239%0.385SS..BIsolated β-bridgetrans-155.2178.1179.271.40000110.2T104 I105 T106S102-T104 PolarHBondContact O-N 2.97Å; S102-T104 VanDerWaalsContact O-N 3.1Å; S102-T104 PolarHBondContact OG-N 3.36Å; S102-T104 PolarHBondContact OG-OG1 3.03Å; S102-I105 PolarHBondContact N-O 2.7Å; S102-I105 CarbonylContact O-C 3.57Å; S102-I105 VanDerWaalsContact O-C 3.31Å; S102-I105 PolarHBondContact O-N 3.11Å; S102-I105 VanDerWaalsContact O-N 3.1Å; S102-I105 PolarHBondContact OG-N 2.9Å; S102-T106 PolarHBondContact O-OG1 3.48Å; S102-T106 VanDerWaalsContact O-OG1 3.09Å
103D88.6Confident94.3Very high166 Ų16672.5 Ų72.589%0.88841%0.411SS*.THydrogen-bonded Turntrans-60-20.1174.7-61-24.6000113.2
104T88.9Confident93.9Very high48 Ų4879.4 Ų79.429%0.29445%0.448SS..THydrogen-bonded Turntrans-107.2-12.1177.360.80000113.4V5 S12 S102V5-T104 HydrophobicContact CG1-CG2 4.19Å; S12-T104 PolarHBondContact OG-O 2.82Å; S102-T104 PolarHBondContact O-N 2.97Å; S102-T104 VanDerWaalsContact O-N 3.1Å; S102-T104 PolarHBondContact OG-N 3.36Å; S102-T104 PolarHBondContact OG-OG1 3.03Å
105I93.6Very high93.7Very high4 Ų479.6 Ų79.62%0.02146%0.455CS..BIsolated β-bridgetrans-125.992.5-179.3-55.3-178.6000109.5S12 L32 L55 G66 V68 V99 L101 S102S12-I105 WeakPolarHBondContact OG-CA 3.34Å; L32-I105 HydrophobicContact CD2-CG2 3.79Å; L55-I105 HydrophobicContact CB-CD1 3.95Å; L55-I105 HydrophobicContact CB-CG1 4.25Å; G66-I105 WeakPolarHBondContact O-CD1 3.45Å; V68-I105 HydrophobicContact CG1-CD1 3.83Å; V99-I105 HydrophobicContact CB-CG2 4.48Å; V99-I105 HydrophobicContact CG1-CG2 3.74Å; V99-I105 HydrophobicContact CG2-CD1 4.05Å; V99-I105 HydrophobicContact CG2-CG2 3.88Å; L101-I105 CarbonylContact C-O 3.55Å; L101-I105 VanDerWaalsContact CA-O 3.26Å; L101-I105 WeakPolarHBondContact CA-O 3.48Å; S102-I105 PolarHBondContact N-O 2.7Å; S102-I105 CarbonylContact O-C 3.57Å; S102-I105 VanDerWaalsContact O-C 3.31Å; S102-I105 PolarHBondContact O-N 3.11Å; S102-I105 VanDerWaalsContact O-N 3.1Å; S102-I105 PolarHBondContact OG-N 2.9Å
106T92.9Very high93.5Very high49 Ų4985.6 Ų85.630%0.30149%0.491SS..  trans-136.6131178.2-63.90000109.9S12 S102S12-T106 WeakPolarHBondContact CB-O 3.43Å; S12-T106 PolarHBondContact N-O 2.03Å; S12-T106 PolarHBondContact OG-N 3.19Å; S12-T106 PolarHBondContact OG-O 3.31Å; S102-T106 PolarHBondContact O-OG1 3.48Å; S102-T106 VanDerWaalsContact O-OG1 3.09Å
107P94.3Very high93.2Very high30 Ų3086.4 Ų86.420%0.19549%0.491CS..PPolyproline II helixtrans-65.4140.4174.7-20.533000111.9L32 L101L32-P107 HydrophobicContact CD2-CG 4.04Å; L32-P107 HydrophobicContact CG-CB 4.38Å; L32-P107 HydrophobicContact CG-CG 4.27Å; L32-P107 CarbonylContact O-C 3.58Å; L32-P107 VanDerWaalsContact O-CA 3.22Å; L32-P107 WeakPolarHBondContact O-CA 3.49Å; L101-P107 HydrophobicContact CD2-CG 4.07Å
108A92.9Very high93.1Very high18 Ų1888.3 Ų88.315%0.14950%0.502CS..PPolyproline II helixtrans-75.5146.1172.900000111.3T31 L32T31-A108 HydrophobicContact CG2-CB 3.44Å; T31-A108 VanDerWaalsContact CG2-CB 3.44Å; L32-A108 PolarHBondContact O-N 2.79Å
109C91.6Very high93Very high131 Ų13190.3 Ų90.389%0.88550%0.504SS*.PPolyproline II helixtrans-70.5137.8167.9-620000110.2
110L91.3Very high93Very high108 Ų10891.9 Ų91.957%0.56552%0.522SS*.PPolyproline II helixtrans-89.8144.6168.7-64.7178.8000109.8I33 L39I33-L110 HydrophobicContact CG2-CD2 3.94Å; I33-L110 HydrophobicContact CG2-CG 4.37Å; L39-L110 HydrophobicContact CD2-CD2 4.43Å
111P91.5Very high93Very high103 Ų10389.9 Ų89.967%0.66950%0.502SS*.PPolyproline II helixtrans-64.6157.8173.229.4-35000110.7V115P111-V115 HydrophobicContact CB-CB 4.35Å
112E93.3Very high93Very high161 Ų16190 Ų9075%0.75251%0.508SS*.PPolyproline II helixtrans-61.8158.9167.1-63.9-176.418000110.5D114 V115E112-D114 PolarHBondContact O-N 2.91Å; E112-V115 HydrophobicContact CB-CG2 3.69Å; E112-V115 WeakPolarHBondContact O-CG2 2.94Å; E112-V115 PolarHBondContact O-N 3.44Å
113R92.3Very high93Very high223 Ų22389.6 Ų89.684%0.84251%0.505SS*.THydrogen-bonded Turntrans-61139.7179.5-169.4-172.4-76.7-176.5-5110.1V115R113-V115 PolarHBondContact O-N 2.8Å; R113-V115 VanDerWaalsContact O-N 3.15Å
114D90.3Very high93.1Very high145 Ų14586.8 Ų86.878%0.77549%0.485SS*.THydrogen-bonded Turntrans62.316.8175-49.7-41.6000114.6E112 V116E112-D114 PolarHBondContact O-N 2.91Å; D114-V116 PolarHBondContact O-N 2.78Å
115V93.3Very high93.2Very high77 Ų7786.8 Ų86.847%0.46749%0.485SS..  trans-66.3124.6170.8170.40000109.8P111 E112 R113P111-V115 HydrophobicContact CB-CB 4.35Å; E112-V115 HydrophobicContact CB-CG2 3.69Å; E112-V115 WeakPolarHBondContact O-CG2 2.94Å; E112-V115 PolarHBondContact O-N 3.44Å; R113-V115 PolarHBondContact O-N 2.8Å; R113-V115 VanDerWaalsContact O-N 3.15Å
116V93.4Very high93.2Very high129 Ų12988.3 Ų88.378%0.78249%0.494SS*.  trans-108.1123.9173.1-178.30000108.8D114D114-V116 PolarHBondContact O-N 2.78Å
117L92.8Very high93.2Very high76 Ų7686.6 Ų86.640%0.39849%0.487SS..PPolyproline II helixtrans-75.9132.8176.2-63.9175.8000110.2T121 V148L117-T121 HydrophobicContact CD2-CG2 4.5Å; L117-V148 HydrophobicContact CB-CG1 4.18Å; L117-V148 HydrophobicContact CB-CG2 4.03Å; L117-V148 HydrophobicContact CD1-CG2 3.88Å
118P96.4Very high93.2Very high90 Ų9085.3 Ų85.358%0.58448%0.478SS*.PPolyproline II helixtrans-58.6148173.9-25.133.9000112.7G120 T121P118-G120 PolarHBondContact O-N 3.46Å; P118-T121 WeakPolarHBondContact CD-OG1 3.39Å; P118-T121 VanDerWaalsContact O-CB 3.29Å; P118-T121 WeakPolarHBondContact O-CB 2.99Å; P118-T121 PolarHBondContact O-N 2.86Å; P118-T121 VanDerWaalsContact O-N 3.12Å; P118-T121 PolarHBondContact O-OG1 3.42Å
119H96.8Very high93.2Very high116 Ų11685.5 Ų85.554%0.53748%0.482SS..THydrogen-bonded Turntrans-54.7136.8170.2-175.7103.2000110.6T121 G150H119-T121 VanDerWaalsContact C-N 3.29Å; H119-T121 PolarHBondContact O-N 3.24Å; H119-G150 PolarHBondContact ND1-N 2.83Å
120G96.1Very high93.1Very high40 Ų4082.2 Ų82.241%0.41245%0.451SS..THydrogen-bonded Turntrans81-0.5-177.800000114.9P118 V148P118-G120 PolarHBondContact O-N 3.46Å; G120-V148 PolarHBondContact N-O 2.87Å
121T95.8Very high93.1Very high36 Ų3681.9 Ų81.922%0.22145%0.449CS..  trans-55.6125.8175-62.10000109.8L117 P118 H119 C123 P147 V148L117-T121 HydrophobicContact CD2-CG2 4.5Å; P118-T121 WeakPolarHBondContact CD-OG1 3.39Å; P118-T121 VanDerWaalsContact O-CB 3.29Å; P118-T121 WeakPolarHBondContact O-CB 2.99Å; P118-T121 PolarHBondContact O-N 2.86Å; P118-T121 VanDerWaalsContact O-N 3.12Å; P118-T121 PolarHBondContact O-OG1 3.42Å; H119-T121 VanDerWaalsContact C-N 3.29Å; H119-T121 PolarHBondContact O-N 3.24Å; T121-C123 PolarHBondContact O-N 3.03Å; T121-P147 CarbonylContact O-C 3.5Å; T121-P147 WeakPolarHBondContact O-CA 3.44Å; T121-V148 PolarHBondContact O-N 2.94Å
122P93.9Very high92.9Very high94 Ų9480 Ų8061%0.6144%0.439SS*.EExtended strand (participates in β ladder)trans-70.8117.5-179.527.9-33.4000110.1L145P122-L145 HydrophobicContact CB-CD1 3.85Å
123C91.9Very high92.6Very high38 Ų3878 Ų7826%0.25744%0.437SS..EExtended strand (participates in β ladder)trans-124.1158.3173.4-66.70000110.2T121 L145 L146 V148T121-C123 PolarHBondContact O-N 3.03Å; C123-L145 CarbonylContact O-C 3.56Å; C123-L145 WeakPolarHBondContact O-CA 3.49Å; C123-L146 WeakPolarHBondContact CB-O 3.5Å; C123-L146 PolarHBondContact N-O 3.17Å; C123-L146 CarbonylContact O-C 3.47Å; C123-L146 PolarHBondContact O-N 3.08Å; C123-L146 VanDerWaalsContact O-O 3.14Å; C123-V148 VanDerWaalsContact SG-CG2 3.57Å
124F92.1Very high92.4Very high106 Ų10673 Ų7347%0.46543%0.427SS..EExtended strand (participates in β ladder)trans-117137.7176.3-69.8-93.3000109.5I8 A144 L145I8-F124 HydrophobicContact CD1-CB 4Å; F124-A144 VanDerWaalsContact CA-O 3.3Å; F124-A144 WeakPolarHBondContact CA-O 3.05Å; F124-L145 HydrophobicContact CD1-CB 4.32Å; F124-L145 HydrophobicContact CE1-CB 3.92Å; F124-L145 HydrophobicContact CE1-CD1 4.14Å; F124-L145 HydrophobicContact CE2-CD1 4.01Å; F124-L145 HydrophobicContact CZ-CB 4.41Å; F124-L145 HydrophobicContact CZ-CD1 3.81Å
125V91.5Very high92.3Very high48 Ų4866.7 Ų66.729%0.29140%0.396SS..EExtended strand (participates in β ladder)trans-96.6137.4160.766.50000108.3Q143 A144 L146V125-Q143 CarbonylContact O-C 3.57Å; V125-Q143 WeakPolarHBondContact O-CA 3.21Å; V125-A144 HydrophobicContact CG1-CB 3.99Å; V125-A144 PolarHBondContact N-O 2.88Å; V125-A144 PolarHBondContact O-N 2.8Å; V125-L146 HydrophobicContact CB-CD1 3.87Å; V125-L146 HydrophobicContact CB-CG 4.49Å; V125-L146 HydrophobicContact CG1-CD1 3.48Å; V125-L146 VanDerWaalsContact CG1-CD1 3.48Å; V125-L146 HydrophobicContact CG1-CG 3.9Å
126T92.5Very high92.2Very high36 Ų3667.2 Ų67.222%0.22140%0.401CS..EExtended strand (participates in β ladder)trans-125.4153.9177.344.90000109.4I8 E13 Q142 Q143I8-T126 HydrophobicContact CD1-CG2 4.09Å; E13-T126 WeakPolarHBondContact OE2-CB 3.47Å; E13-T126 PolarHBondContact OE2-OG1 3.09Å; T126-Q142 VanDerWaalsContact CA-O 3.31Å; T126-Q142 WeakPolarHBondContact CA-O 3.26Å; T126-Q143 HydrophobicContact CG2-CB 3.93Å
127G93.1Very high92.2Very high14 Ų1463.5 Ų63.514%0.14438%0.384CS..EExtended strand (participates in β ladder)trans153.3-177.9172.300000114.9Q142G127-Q142 PolarHBondContact N-O 2.86Å; G127-Q142 VanDerWaalsContact N-O 3.13Å; G127-Q142 PolarHBondContact O-N 3.48Å
128W94.9Very high92.2Very high2 Ų260 Ų601%0.00837%0.367CS..SBendtrans-108.426.4179.7-63.8-85.6000112.9E13 K57 H58 L60 A138 L141E13-W128 HydrophobicContact CB-CH2 3.87Å; E13-W128 HydrophobicContact CB-CZ3 4.03Å; E13-W128 HydrophobicContact CG-CE3 4.12Å; E13-W128 HydrophobicContact CG-CH2 3.69Å; E13-W128 HydrophobicContact CG-CZ3 3.34Å; K57-W128 HydrophobicContact CB-CH2 4.42Å; K57-W128 HydrophobicContact CB-CZ2 4.27Å; K57-W128 WeakPolarHBondContact O-CZ2 3.39Å; H58-W128 PolarHBondContact O-NE1 3.34Å; L60-W128 HydrophobicContact CD1-CB 3.63Å; L60-W128 HydrophobicContact CD1-CD2 4.35Å; L60-W128 HydrophobicContact CD1-CG 3.69Å; L60-W128 HydrophobicContact CD2-CD2 4Å; L60-W128 HydrophobicContact CD2-CE3 4.36Å; L60-W128 HydrophobicContact CD2-CG 4.18Å; L60-W128 HydrophobicContact CG-CB 4.26Å; L60-W128 HydrophobicContact CG-CD2 4.06Å; L60-W128 HydrophobicContact CG-CG 3.74Å; W128-A138 WeakPolarHBondContact CB-O 3.35Å; W128-A138 PolarHBondContact O-N 3.14Å; W128-L141 HydrophobicContact CD2-CD1 3.96Å; W128-L141 HydrophobicContact CE3-CD1 4.16Å; W128-L141 HydrophobicContact CH2-CD1 3.98Å; W128-L141 HydrophobicContact CZ2-CB 3.91Å; W128-L141 HydrophobicContact CZ2-CD1 3.76Å; W128-L141 HydrophobicContact CZ2-CD2 4.42Å; W128-L141 HydrophobicContact CZ2-CG 4.24Å; W128-L141 HydrophobicContact CZ3-CD1 4.19Å
129G92.2Very high92Very high22 Ų2258.9 Ų58.923%0.22736%0.356CS..  trans-61.8-175.417700000113.6A138 C180G129-A138 WeakPolarHBondContact O-CB 3.38Å; G129-A138 PolarHBondContact O-N 3.05Å; G129-C180 VanDerWaalsContact CA-O 3.27Å; G129-C180 WeakPolarHBondContact CA-O 3.36Å
130R90.3Very high91.8Very high62 Ų6255.7 Ų55.723%0.23434%0.342CS..BIsolated β-bridgetrans-68.6142.1177-68.3179.2-179.6-111.33.3111.5S132 G135 P136 C180 N181 L182R130-S132 WeakPolarHBondContact CB-O 3.17Å; R130-S132 PolarHBondContact O-N 2.96Å; R130-G135 WeakPolarHBondContact CD-O 3.36Å; R130-G135 WeakPolarHBondContact CG-O 3.32Å; R130-G135 PolarHBondContact NH1-O 3.45Å; R130-P136 WeakPolarHBondContact CA-O 3.27Å; R130-C180 HydrophobicContact CB-CB 4.13Å; R130-C180 PolarHBondContact N-O 2.99Å; R130-C180 WeakPolarHBondContact O-CB 3.45Å; R130-N181 VanDerWaalsContact CD-O 3.23Å; R130-N181 WeakPolarHBondContact CD-O 3.23Å; R130-N181 WeakPolarHBondContact CG-O 3.48Å; R130-N181 PolarHBondContact NE-O 3.44Å; R130-L182 PolarHBondContact NE-O 3.09Å; R130-L182 VanDerWaalsContact NE-O 3.08Å; R130-L182 PolarHBondContact NH2-O 3.01Å
131L89.7Confident91.7Very high101 Ų10154.8 Ų54.853%0.52933%0.328SS..SBendtrans-74.6-15.8177.5-64.1178.8000113.3P136 A138 Q142L131-P136 HydrophobicContact CD1-CG 4.41Å; L131-P136 PolarHBondContact N-O 3.02Å; L131-A138 HydrophobicContact CD2-CB 3.73Å; L131-A138 HydrophobicContact CG-CB 4.13Å; L131-Q142 HydrophobicContact CD2-CG 3.65Å
132S88.9Confident91.5Very high65 Ų6554.7 Ų54.746%0.45533%0.325SS..SBendtrans-160.7162.8173.958.80000109.7R130 N134 G135R130-S132 WeakPolarHBondContact CB-O 3.17Å; R130-S132 PolarHBondContact O-N 2.96Å; S132-N134 PolarHBondContact O-N 3.32Å; S132-G135 WeakPolarHBondContact O-CA 3.46Å; S132-G135 PolarHBondContact O-N 2.87Å; S132-G135 WeakPolarHBondContact OG-CA 3.07Å
133T87.2Confident91.4Very high117 Ų11752.4 Ų52.472%0.71831%0.306SS*.THydrogen-bonded Turntrans-54.9124.4173.5-53.10000110.2G135T133-G135 PolarHBondContact O-N 3.31Å; T133-G135 VanDerWaalsContact O-N 3.08Å
134N87.3Confident91.3Very high120 Ų12051.8 Ų51.864%0.64230%0.304SS*.THydrogen-bonded Turntrans60.48.5-173.5-54.2-41.4000115.2S132 T184S132-N134 PolarHBondContact O-N 3.32Å; N134-T184 WeakPolarHBondContact OD1-CG2 3.23Å
135G89.1Confident91.4Very high12 Ų1251 Ų5112%0.12430%0.304CS..  trans-82.4-177.2177.200000113.6R130 S132 T133R130-G135 WeakPolarHBondContact CD-O 3.36Å; R130-G135 WeakPolarHBondContact CG-O 3.32Å; R130-G135 PolarHBondContact NH1-O 3.45Å; S132-G135 WeakPolarHBondContact O-CA 3.46Å; S132-G135 PolarHBondContact O-N 2.87Å; S132-G135 WeakPolarHBondContact OG-CA 3.07Å; T133-G135 PolarHBondContact O-N 3.31Å; T133-G135 VanDerWaalsContact O-N 3.08Å
136P91.3Very high91.5Very high87 Ų8749.4 Ų49.457%0.56529%0.293SS*.PPolyproline II helixtrans-68.9149.2179.730.1-35.1000111.8R130 L131R130-P136 WeakPolarHBondContact CA-O 3.27Å; L131-P136 HydrophobicContact CD1-CG 4.41Å; L131-P136 PolarHBondContact N-O 3.02Å
137A92.1Very high91.7Very high51 Ų5150.2 Ų50.242%0.42130%0.299SS..BIsolated β-bridgetrans-66.4145.6165.500000110.3L182A137-L182 HydrophobicContact CB-CD2 3.55Å
138A92.8Very high91.8Very high4 Ų449.9 Ų49.93%0.03329%0.294CS..PPolyproline II helixtrans-79.2129.6178.500000111W128 G129 L131 Q142W128-A138 WeakPolarHBondContact CB-O 3.35Å; W128-A138 PolarHBondContact O-N 3.14Å; G129-A138 WeakPolarHBondContact O-CB 3.38Å; G129-A138 PolarHBondContact O-N 3.05Å; L131-A138 HydrophobicContact CD2-CB 3.73Å; L131-A138 HydrophobicContact CG-CB 4.13Å; A138-Q142 HydrophobicContact CB-CG 3.7Å
139D92.5Very high91.9Very high66 Ų6650.2 Ų50.235%0.35330%0.297SS..SBendtrans-79.2-35.6170-69.8-36.9000111.7S59 L60 K61S59-D139 CarbonylContact C-O 3.59Å; S59-D139 WeakPolarHBondContact CA-O 3.2Å; L60-D139 PolarHBondContact N-O 3.28Å; K61-D139 HydrophobicContact CD-CB 4.42Å; K61-D139 WeakPolarHBondContact CD-OD1 3.29Å; K61-D139 VanDerWaalsContact CE-CG 3.48Å; K61-D139 WeakPolarHBondContact CE-OD1 3.31Å; K61-D139 WeakPolarHBondContact CE-OD2 3.42Å; K61-D139 IonicContact NZ-OD1 2.97Å; K61-D139 PolarHBondContact NZ-OD1 2.05Å; K61-D139 IonicContact NZ-OD2 2.7Å; K61-D139 PolarHBondContact NZ-OD2 3.02Å
140I93.4Very high92.2Very high48 Ų4849.6 Ų49.625%0.24629%0.29CS..BIsolated β-bridgetrans-98.4137.9-178.9-58.6-56.7000108.7N2 H58 Q142N2-I140 HydrophobicContact CB-CG2 4.38Å; H58-I140 VanDerWaalsContact CE1-CG2 3.49Å; H58-I140 WeakPolarHBondContact CE1-CG2 3.33Å; H58-I140 VanDerWaalsContact NE2-CG2 3.29Å; H58-I140 WeakPolarHBondContact NE2-CG2 3.23Å; I140-Q142 PolarHBondContact O-N 3.45Å; I140-Q142 PolarHBondContact O-NE2 2.99Å
141L92.1Very high92.5Very high22 Ų2249.7 Ų49.712%0.11529%0.293CS..  trans-54.1130.6178.1-175.962.1000109.8A3 E13 H58 W128A3-L141 WeakPolarHBondContact CB-O 3.26Å; A3-L141 PolarHBondContact N-O 3.07Å; E13-L141 HydrophobicContact CB-CD1 4.16Å; E13-L141 HydrophobicContact CB-CD2 4.21Å; E13-L141 HydrophobicContact CG-CD1 3.77Å; H58-L141 PolarHBondContact O-N 2.69Å; W128-L141 HydrophobicContact CD2-CD1 3.96Å; W128-L141 HydrophobicContact CE3-CD1 4.16Å; W128-L141 HydrophobicContact CH2-CD1 3.98Å; W128-L141 HydrophobicContact CZ2-CB 3.91Å; W128-L141 HydrophobicContact CZ2-CD1 3.76Å; W128-L141 HydrophobicContact CZ2-CD2 4.42Å; W128-L141 HydrophobicContact CZ2-CG 4.24Å; W128-L141 HydrophobicContact CZ3-CD1 4.19Å
142Q93.2Very high92.8Very high34 Ų3450 Ų5016%0.15930%0.295CS..EExtended strand (participates in β ladder)trans-108.6160.4176.8-55.6-62.6-7500109.9F1 N2 T126 G127 L131 A138 I140F1-Q142 PolarHBondContact O-OE1 2.87Å; N2-Q142 PolarHBondContact OD1-NE2 2.91Å; T126-Q142 VanDerWaalsContact CA-O 3.31Å; T126-Q142 WeakPolarHBondContact CA-O 3.26Å; G127-Q142 PolarHBondContact N-O 2.86Å; G127-Q142 VanDerWaalsContact N-O 3.13Å; G127-Q142 PolarHBondContact O-N 3.48Å; L131-Q142 HydrophobicContact CD2-CG 3.65Å; A138-Q142 HydrophobicContact CB-CG 3.7Å; I140-Q142 PolarHBondContact O-N 3.45Å; I140-Q142 PolarHBondContact O-NE2 2.99Å
143Q91.4Very high93.1Very high45 Ų4548.9 Ų48.921%0.2129%0.286CS..EExtended strand (participates in β ladder)trans-142.2149.4170.671.1-176.244.500110.6A3 I7 V125 T126A3-Q143 HydrophobicContact CB-CB 4.37Å; A3-Q143 HydrophobicContact CB-CG 4.13Å; I7-Q143 PolarHBondContact O-OE1 3.47Å; V125-Q143 CarbonylContact O-C 3.57Å; V125-Q143 WeakPolarHBondContact O-CA 3.21Å; T126-Q143 HydrophobicContact CG2-CB 3.93Å
144A90.4Very high93.6Very high26 Ų2643.4 Ų43.422%0.21525%0.252CS..EExtended strand (participates in β ladder)trans-142.4140.4170.900000111F124 V125 L146 A177F124-A144 VanDerWaalsContact CA-O 3.3Å; F124-A144 WeakPolarHBondContact CA-O 3.05Å; V125-A144 HydrophobicContact CG1-CB 3.99Å; V125-A144 PolarHBondContact N-O 2.88Å; V125-A144 PolarHBondContact O-N 2.8Å; A144-L146 PolarHBondContact O-N 3.48Å; A144-A177 HydrophobicContact CB-CB 4.05Å
145L92.5Very high94Very high89 Ų8939.5 Ų39.547%0.46623%0.234SC..EExtended strand (participates in β ladder)trans-74.5117.2171.9176.471.2000108.6P122 C123 F124P122-L145 HydrophobicContact CB-CD1 3.85Å; C123-L145 CarbonylContact O-C 3.56Å; C123-L145 WeakPolarHBondContact O-CA 3.49Å; F124-L145 HydrophobicContact CD1-CB 4.32Å; F124-L145 HydrophobicContact CE1-CB 3.92Å; F124-L145 HydrophobicContact CE1-CD1 4.14Å; F124-L145 HydrophobicContact CE2-CD1 4.01Å; F124-L145 HydrophobicContact CZ-CB 4.41Å; F124-L145 HydrophobicContact CZ-CD1 3.81Å
146L94.3Very high94.4Very high15 Ų1543.4 Ų43.48%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-123.2101.7174.7-59.8-173.9000108.6C123 V125 A144 A171 A177C123-L146 WeakPolarHBondContact CB-O 3.5Å; C123-L146 PolarHBondContact N-O 3.17Å; C123-L146 CarbonylContact O-C 3.47Å; C123-L146 PolarHBondContact O-N 3.08Å; C123-L146 VanDerWaalsContact O-O 3.14Å; V125-L146 HydrophobicContact CB-CD1 3.87Å; V125-L146 HydrophobicContact CB-CG 4.49Å; V125-L146 HydrophobicContact CG1-CD1 3.48Å; V125-L146 VanDerWaalsContact CG1-CD1 3.48Å; V125-L146 HydrophobicContact CG1-CG 3.9Å; A144-L146 PolarHBondContact O-N 3.48Å; L146-A171 HydrophobicContact CB-CB 3.89Å; L146-A177 HydrophobicContact CD2-CB 3.76Å; L146-A177 WeakPolarHBondContact CD2-O 3.49Å
147P96Very high94.7Very high53 Ų5343.9 Ų43.934%0.34425%0.253SS..EExtended strand (participates in β ladder)trans-61.5141.6174.4-22.133.9000111.3T121 V149 A171 G172T121-P147 CarbonylContact O-C 3.5Å; T121-P147 WeakPolarHBondContact O-CA 3.44Å; P147-V149 PolarHBondContact O-N 3.01Å; P147-A171 CarbonylContact O-C 3.53Å; P147-A171 WeakPolarHBondContact O-CA 3.49Å; P147-G172 PolarHBondContact O-N 3.29Å
148V96.7Very high94.8Very high6 Ų647.8 Ų47.84%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-60.1134.8175.1172.50000110.3L117 G120 T121 C123 V169 C170L117-V148 HydrophobicContact CB-CG1 4.18Å; L117-V148 HydrophobicContact CB-CG2 4.03Å; L117-V148 HydrophobicContact CD1-CG2 3.88Å; G120-V148 PolarHBondContact N-O 2.87Å; T121-V148 PolarHBondContact O-N 2.94Å; C123-V148 VanDerWaalsContact SG-CG2 3.57Å; V148-V169 HydrophobicContact CG1-CG1 4.4Å; V148-V169 HydrophobicContact CG2-CG1 4.47Å; V148-C170 WeakPolarHBondContact CA-O 3.23Å
149V97.3Very high94.9Very high10 Ų1052.3 Ų52.36%0.06128%0.283CS..EExtended strand (participates in β ladder)trans-103.4115.2169.3-179.20000107.3P147 V153 C154 W159 C170 G172P147-V149 PolarHBondContact O-N 3.01Å; V149-V153 HydrophobicContact CG1-CB 3.75Å; V149-V153 HydrophobicContact CG1-CG1 3.69Å; V149-C154 HydrophobicContact CG1-CB 3.89Å; V149-W159 HydrophobicContact CB-CZ3 4.35Å; V149-W159 HydrophobicContact CG1-CE3 4.32Å; V149-W159 HydrophobicContact CG1-CH2 3.96Å; V149-W159 HydrophobicContact CG1-CZ3 3.83Å; V149-W159 HydrophobicContact CG2-CH2 3.95Å; V149-W159 HydrophobicContact CG2-CZ3 3.98Å; V149-C170 HydrophobicContact CB-CB 3.87Å; V149-C170 HydrophobicContact CG1-CB 4.46Å; V149-C170 PolarHBondContact N-O 2.96Å; V149-C170 WeakPolarHBondContact O-CB 3.45Å; V149-G172 VanDerWaalsContact CG2-O 3.3Å; V149-G172 WeakPolarHBondContact CG2-O 2.97Å
150G96.9Very high95Very high9 Ų956.6 Ų56.69%0.09329%0.294CS..  trans-50.3145.1174.800000112.4H119 D152 V153 C154H119-G150 PolarHBondContact ND1-N 2.83Å; G150-D152 WeakPolarHBondContact CA-OD1 3.32Å; G150-D152 PolarHBondContact O-N 3.08Å; G150-V153 WeakPolarHBondContact O-CB 3.3Å; G150-V153 PolarHBondContact O-N 3.21Å; G150-C154 PolarHBondContact O-N 2.84Å
151H96.4Very high95.1Very high63 Ų6357.9 Ų57.929%0.29230%0.301SS..Hα-helixtrans-58.7-38.1-176.6-176.848.8000112.1V153 C154 S155 A164 T165H151-V153 PolarHBondContact O-N 3.38Å; H151-C154 PolarHBondContact O-N 3.17Å; H151-S155 VanDerWaalsContact O-CB 3.24Å; H151-S155 WeakPolarHBondContact O-CB 3.49Å; H151-S155 PolarHBondContact O-N 2.99Å; H151-S155 PolarHBondContact O-OG 3.04Å; H151-A164 PolarHBondContact CE1-O 2.73Å; H151-T165 VanDerWaalsContact CE1-C 3.41Å
152D95.9Very high95.2Very high108 Ų10862.1 Ų62.158%0.57833%0.328SS*.Hα-helixtrans-56.1-28.7174.863.8-45.8000113.9G150 Q156G150-D152 WeakPolarHBondContact CA-OD1 3.32Å; G150-D152 PolarHBondContact O-N 3.08Å; D152-Q156 WeakPolarHBondContact O-CG 3.23Å; D152-Q156 PolarHBondContact O-NE2 2.98Å
153V96.6Very high95.2Very high42 Ų4265.1 Ų65.126%0.25534%0.344SS..Hα-helixtrans-88.2-51.9175.1179.50000110.6V149 G150 H151 S155 Q156 W159V149-V153 HydrophobicContact CG1-CB 3.75Å; V149-V153 HydrophobicContact CG1-CG1 3.69Å; G150-V153 WeakPolarHBondContact O-CB 3.3Å; G150-V153 PolarHBondContact O-N 3.21Å; H151-V153 PolarHBondContact O-N 3.38Å; V153-S155 PolarHBondContact O-N 3.2Å; V153-Q156 VanDerWaalsContact O-CB 3.29Å; V153-Q156 WeakPolarHBondContact O-CB 3.43Å; V153-Q156 VanDerWaalsContact O-CG 3.23Å; V153-Q156 WeakPolarHBondContact O-CG 3.4Å; V153-Q156 PolarHBondContact O-N 2.91Å; V153-Q156 VanDerWaalsContact O-N 3.07Å; V153-W159 HydrophobicContact CG1-CZ2 4.13Å
154C96.6Very high95.3Very high1 Ų163.4 Ų63.41%0.00734%0.338CS..Hα-helixtrans-73-14.9-173.970.80000114.1V149 G150 H151 Q156 W159 W160 C170V149-C154 HydrophobicContact CG1-CB 3.89Å; G150-C154 PolarHBondContact O-N 2.84Å; H151-C154 PolarHBondContact O-N 3.17Å; C154-Q156 VanDerWaalsContact C-N 3.3Å; C154-W159 HydrophobicContact CB-CE3 4.06Å; C154-W159 VanDerWaalsContact O-CB 3.28Å; C154-W159 WeakPolarHBondContact O-CB 3.4Å; C154-W160 WeakPolarHBondContact O-CB 3.5Å; C154-W160 PolarHBondContact O-N 3.32Å; C154-C170 HydrophobicContact CB-CB 3.46Å; C154-C170 VanDerWaalsContact CB-CB 3.46Å; C154-C170 WeakPolarHBondContact CB-SG 3.29Å; C154-C170 WeakPolarHBondContact SG-CB 3.42Å; C154-C170 CovalentContact SG-SG 2.05Å; C154-C170 PolarHBondContact SG-SG 2.79Å
155S97.1Very high95.5Very high38 Ų3863.6 Ų63.627%0.26634%0.337SS..THydrogen-bonded Turntrans-84.94.317174.30000113.8H151 V153 N161H151-S155 VanDerWaalsContact O-CB 3.24Å; H151-S155 WeakPolarHBondContact O-CB 3.49Å; H151-S155 PolarHBondContact O-N 2.99Å; H151-S155 PolarHBondContact O-OG 3.04Å; V153-S155 PolarHBondContact O-N 3.2Å; S155-N161 WeakPolarHBondContact O-CA 3.48Å
156Q97.7Very high95.5Very high94 Ų9467.7 Ų67.744%0.43935%0.353SS..SBendtrans-71.6157.2176.6-66-62.8-3000111.9D152 V153 C154 D158 W159 N161D152-Q156 WeakPolarHBondContact O-CG 3.23Å; D152-Q156 PolarHBondContact O-NE2 2.98Å; V153-Q156 VanDerWaalsContact O-CB 3.29Å; V153-Q156 WeakPolarHBondContact O-CB 3.43Å; V153-Q156 VanDerWaalsContact O-CG 3.23Å; V153-Q156 WeakPolarHBondContact O-CG 3.4Å; V153-Q156 PolarHBondContact O-N 2.91Å; V153-Q156 VanDerWaalsContact O-N 3.07Å; C154-Q156 VanDerWaalsContact C-N 3.3Å; Q156-D158 VanDerWaalsContact C-N 3.27Å; Q156-D158 VanDerWaalsContact CB-OD1 3.23Å; Q156-D158 WeakPolarHBondContact CB-OD1 3.31Å; Q156-D158 PolarHBondContact O-N 3.06Å; Q156-W159 CarbonylContact O-C 3.55Å; Q156-W159 PolarHBondContact O-N 3Å; Q156-N161 WeakPolarHBondContact O-CA 3.42Å; Q156-N161 PolarHBondContact O-N 3.44Å; Q156-N161 VanDerWaalsContact O-N 3.09Å
157P96.7Very high95.4Very high98 Ų9875 Ų7564%0.63639%0.385SS*.THydrogen-bonded Turntrans-61.6-28.5-177.3-25.435.6000115.4W159P157-W159 VanDerWaalsContact C-N 3.28Å
158D94.9Very high95.4Very high132 Ų13275.8 Ų75.871%0.70638%0.384SS*.THydrogen-bonded Turntrans-84.1-2.8176.260.8-35.9000113.3Q156Q156-D158 VanDerWaalsContact C-N 3.27Å; Q156-D158 VanDerWaalsContact CB-OD1 3.23Å; Q156-D158 WeakPolarHBondContact CB-OD1 3.31Å; Q156-D158 PolarHBondContact O-N 3.06Å
159W95.3Very high95.3Very high100 Ų10080.7 Ų80.738%0.37941%0.414SS..THydrogen-bonded Turntrans-112.7-126.1174-74.371.5000110.5V149 V153 C154 Q156 P157V149-W159 HydrophobicContact CB-CZ3 4.35Å; V149-W159 HydrophobicContact CG1-CE3 4.32Å; V149-W159 HydrophobicContact CG1-CH2 3.96Å; V149-W159 HydrophobicContact CG1-CZ3 3.83Å; V149-W159 HydrophobicContact CG2-CH2 3.95Å; V149-W159 HydrophobicContact CG2-CZ3 3.98Å; V153-W159 HydrophobicContact CG1-CZ2 4.13Å; C154-W159 HydrophobicContact CB-CE3 4.06Å; C154-W159 VanDerWaalsContact O-CB 3.28Å; C154-W159 WeakPolarHBondContact O-CB 3.4Å; Q156-W159 CarbonylContact O-C 3.55Å; Q156-W159 PolarHBondContact O-N 3Å; P157-W159 VanDerWaalsContact C-N 3.28Å
160W93.9Very high95.3Very high156 Ų15681.1 Ų81.159%0.59142%0.417SS*.THydrogen-bonded Turntrans-92.6-8.5-176.3-68.699.4000113.2C154 V162 L163 A164C154-W160 WeakPolarHBondContact O-CB 3.5Å; C154-W160 PolarHBondContact O-N 3.32Å; W160-V162 PolarHBondContact O-N 3.44Å; W160-L163 HydrophobicContact CE3-CD1 4.37Å; W160-L163 VanDerWaalsContact O-CB 3.23Å; W160-L163 WeakPolarHBondContact O-CB 3.24Å; W160-L163 PolarHBondContact O-N 3.45Å; W160-A164 HydrophobicContact CB-CB 3.75Å
161N95.9Very high95.2Very high74 Ų7483 Ų8340%0.39643%0.431SS..G310 helixtrans49.3-138.3-179.7-162-21.3000111S155 Q156 L163 A164S155-N161 WeakPolarHBondContact O-CA 3.48Å; Q156-N161 WeakPolarHBondContact O-CA 3.42Å; Q156-N161 PolarHBondContact O-N 3.44Å; Q156-N161 VanDerWaalsContact O-N 3.09Å; N161-L163 PolarHBondContact O-N 3.19Å; N161-A164 PolarHBondContact O-N 2.88Å
162V92.9Very high95.2Very high111 Ų11180.5 Ų80.567%0.67342%0.423SS*.G310 helixtrans-60.4-9.6177.7-590000115.2R87 W160R87-V162 PolarHBondContact NH2-O 3.06Å; W160-V162 PolarHBondContact O-N 3.44Å
163L93.1Very high95Very high97 Ų9778.1 Ų78.151%0.50842%0.424SS..G310 helixtrans-76.3-35.8177.3-60.1176.8000111.5R87 W160 N161R87-L163 PolarHBondContact NH1-O 3.41Å; R87-L163 PolarHBondContact NH2-O 3.06Å; W160-L163 HydrophobicContact CE3-CD1 4.37Å; W160-L163 VanDerWaalsContact O-CB 3.23Å; W160-L163 WeakPolarHBondContact O-CB 3.24Å; W160-L163 PolarHBondContact O-N 3.45Å; N161-L163 PolarHBondContact O-N 3.19Å
164A94.6Very high94.7Very high9 Ų980.5 Ų80.57%0.07444%0.435CS..SBendtrans-72.5129.2169.500000109.1H151 W160 N161H151-A164 PolarHBondContact CE1-O 2.73Å; W160-A164 HydrophobicContact CB-CB 3.75Å; N161-A164 PolarHBondContact O-N 2.88Å
165T94.3Very high94.3Very high31 Ų3184.3 Ų84.319%0.1948%0.475CS..  trans-122.2163.7176.6660000110H151 K167 M168H151-T165 VanDerWaalsContact CE1-C 3.41Å; T165-K167 PolarHBondContact O-N 2.97Å; T165-K167 PolarHBondContact OG1-N 2.89Å; T165-M168 WeakPolarHBondContact O-CB 3.28Å; T165-M168 PolarHBondContact O-N 3.24Å
166E92.8Very high93.9Very high175 Ų17589.8 Ų89.882%0.81850%0.5SS*.THydrogen-bonded Turntrans-60.7-13.5174.9-62.2-179.6161.200113.7M168E166-M168 VanDerWaalsContact C-N 3.29Å
167K92.4Very high93.5Very high169 Ų16986.6 Ų86.674%0.73549%0.49SS*.THydrogen-bonded Turntrans-87.47.2174.4-61.2-174.6176.6-174.40113.5T165T165-K167 PolarHBondContact O-N 2.97Å; T165-K167 PolarHBondContact OG1-N 2.89Å
168M95.1Very high93.2Very high68 Ų6885.6 Ų85.634%0.33549%0.49SS..  trans-124.3151-177.8-65.1170.3169.400110.3S86 T165 E166S86-M168 WeakPolarHBondContact O-CE 3.37Å; T165-M168 WeakPolarHBondContact O-CB 3.28Å; T165-M168 PolarHBondContact O-N 3.24Å; E166-M168 VanDerWaalsContact C-N 3.29Å
169V95.3Very high92.8Very high110 Ų11081.8 Ų81.867%0.66748%0.481SS*.  trans-110.7128.7170.2179.80000108.1V148V148-V169 HydrophobicContact CG1-CG1 4.4Å; V148-V169 HydrophobicContact CG2-CG1 4.47Å
170C96.8Very high92.4Very high18 Ų1879 Ų7912%0.12248%0.477CS..EExtended strand (participates in β ladder)trans-96.6142.8173.5-580000109V148 V149 C154V148-C170 WeakPolarHBondContact CA-O 3.23Å; V149-C170 HydrophobicContact CB-CB 3.87Å; V149-C170 HydrophobicContact CG1-CB 4.46Å; V149-C170 PolarHBondContact N-O 2.96Å; V149-C170 WeakPolarHBondContact O-CB 3.45Å; C154-C170 HydrophobicContact CB-CB 3.46Å; C154-C170 VanDerWaalsContact CB-CB 3.46Å; C154-C170 WeakPolarHBondContact CB-SG 3.29Å; C154-C170 WeakPolarHBondContact SG-CB 3.42Å; C154-C170 CovalentContact SG-SG 2.05Å; C154-C170 PolarHBondContact SG-SG 2.79Å
171A95.9Very high91.7Very high48 Ų4876.4 Ų76.440%0.39747%0.474SS..EExtended strand (participates in β ladder)trans-151.8149.3175.700000111.2L146 P147L146-A171 HydrophobicContact CB-CB 3.89Å; P147-A171 CarbonylContact O-C 3.53Å; P147-A171 WeakPolarHBondContact O-CA 3.49Å
172G95.6Very high90.3Very high12 Ų1274.9 Ų74.912%0.12447%0.466CS..  trans81.1-135.5-178.200000112.9P147 V149P147-G172 PolarHBondContact O-N 3.29Å; V149-G172 VanDerWaalsContact CG2-O 3.3Å; V149-G172 WeakPolarHBondContact CG2-O 2.97Å
173G91.9Very high88.4Confident58 Ų5874.5 Ų74.560%0.59846%0.464SS*.  trans89.316.1-178.100000114.7G175G173-G175 VanDerWaalsContact C-N 3.3Å
174D90Very high85.6Confident91 Ų9173.8 Ų73.849%0.48746%0.464SS..SBendtrans-81.7-7.317767.7-4.8000113.8I176 A177D174-I176 VanDerWaalsContact C-N 3.27Å; D174-I176 PolarHBondContact O-N 3.22Å; D174-I176 PolarHBondContact OD1-N 3.07Å; D174-A177 PolarHBondContact OD1-N 3.01Å
175G89.2Confident82.4Confident81 Ų8182.2 Ų82.284%0.83552%0.522SS*.SBendtrans78.15.6-176.400000114.6G173G173-G175 VanDerWaalsContact C-N 3.3Å
176I87.6Confident81.8Confident153 Ų15384.8 Ų84.879%0.78554%0.539SS*.SBendtrans-113.9-45-176.2-56.1177.7000110.8D174D174-I176 VanDerWaalsContact C-N 3.27Å; D174-I176 PolarHBondContact O-N 3.22Å; D174-I176 PolarHBondContact OD1-N 3.07Å
177A89.3Confident81.3Confident28 Ų2880.1 Ų80.123%0.23152%0.524CS..  trans-124.6138.3-175.900000112.4A144 L146 D174A144-A177 HydrophobicContact CB-CB 4.05Å; L146-A177 HydrophobicContact CD2-CB 3.76Å; L146-A177 WeakPolarHBondContact CD2-O 3.49Å; D174-A177 PolarHBondContact OD1-N 3.01Å
178A89.4Confident80.7Confident77 Ų7775.1 Ų75.164%0.63651%0.513SS*.  trans-160161.9176.800000111.2
179G86.8Confident79.8Confident51 Ų5175.5 Ų75.553%0.52652%0.523SS..  trans-69.6147158.600000110.4
180C87.4Confident78.8Confident42 Ų4273.4 Ų73.428%0.28451%0.514SS..  trans-140.6126.7-178.5-159.10000111.8G129 R130G129-C180 VanDerWaalsContact CA-O 3.27Å; G129-C180 WeakPolarHBondContact CA-O 3.36Å; R130-C180 HydrophobicContact CB-CB 4.13Å; R130-C180 PolarHBondContact N-O 2.99Å; R130-C180 WeakPolarHBondContact O-CB 3.45Å
181N79.1Confident77.6Confident102 Ų10277.1 Ų77.155%0.54554%0.54SS..  trans-67.8152.6-177.5-75-0.2000112.5R130R130-N181 VanDerWaalsContact CD-O 3.23Å; R130-N181 WeakPolarHBondContact CD-O 3.23Å; R130-N181 WeakPolarHBondContact CG-O 3.48Å; R130-N181 PolarHBondContact NE-O 3.44Å
182L67.6Low76.3Confident42 Ų4279.1 Ų79.122%0.2255%0.55CS.*SBendtrans-75.4-30175-65.6169.2000112.2H26 R130 A137H26-L182 WeakPolarHBondContact CD2-CD1 3.43Å; R130-L182 PolarHBondContact NE-O 3.09Å; R130-L182 VanDerWaalsContact NE-O 3.08Å; R130-L182 PolarHBondContact NH2-O 3.01Å; A137-L182 HydrophobicContact CB-CD2 3.55Å
183T52Low74.9Confident103 Ų10384.3 Ų84.363%0.63258%0.583SS**SBendtrans-80.9133.6174.350.60000110.4S185T183-S185 PolarHBondContact O-N 3.28Å
184T33.7Very low73.4Confident82 Ų8286.5 Ų86.550%0.50358%0.582SS.*  trans-73.4116.6151.549.70000104.9N134N134-T184 WeakPolarHBondContact OD1-CG2 3.23Å
185S29.3Very low71.9Confident186 Ų18686.1 Ų86.1100%1.30159%0.591SS**  trans-36.40169.248.20000113.3T183T183-S185 PolarHBondContact O-N 3.28Å

Retrieved 185 of 185 residues in 404.4 ms (Link to these results)

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