A0A3Q0KHT0_SCHMA Loading...

Ubiquitin carboxyl-terminal hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KHT0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 558 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
1M42Very low79.6Confident222 Ų22298.4 Ų98.4100%1.09449%0.493SS*.  0124.70-64.3-66.5-173.800106.5E3M1-E3 PolarHBondContact O-N 3.33Å
2P49.5Very low80.9Confident115 Ų11590.2 Ų90.275%0.74745%0.452SS*.  trans-53.2141.4168.623.2-30.4000108.5M4P2-M4 PolarHBondContact O-N 3.42Å
3E60.9Low81.9Confident149 Ų14984.8 Ų84.870%0.69642%0.424SS*.  trans-53.6112173.7-79.7-17917500108.1M1 S5 N10M1-E3 PolarHBondContact O-N 3.33Å; E3-S5 PolarHBondContact O-N 3.32Å; E3-S5 VanDerWaalsContact O-N 3.14Å; E3-N10 PolarHBondContact OE2-ND2 2.9Å
4M75.4Confident82.7Confident151 Ų15186.4 Ų86.474%0.74444%0.441SS*.  trans-72.94177.7-68.4-163.1-76.300112.1P2 Y117P2-M4 PolarHBondContact O-N 3.42Å; M4-Y117 HydrophobicContact CB-CD1 4.2Å
5S86.4Confident83.3Confident24 Ų2487.3 Ų87.317%0.16844%0.443CS..SBendtrans-86.3146.3176.550.60000111.8E3 N10 Y117E3-S5 PolarHBondContact O-N 3.32Å; E3-S5 VanDerWaalsContact O-N 3.14Å; S5-N10 WeakPolarHBondContact CB-OD1 3.48Å; S5-N10 PolarHBondContact OG-ND2 3.36Å; S5-N10 PolarHBondContact OG-OD1 2.64Å; S5-Y117 VanDerWaalsContact CA-O 3.24Å; S5-Y117 WeakPolarHBondContact CA-O 3.35Å; S5-Y117 VanDerWaalsContact CB-O 3.29Å; S5-Y117 WeakPolarHBondContact CB-O 3.46Å
6C93.4Very high83.8Confident21 Ų2192.5 Ų92.514%0.14246%0.462CS..  trans-78.4156.2173.376.20000111H8 A9 N10 C112 V116C6-H8 PolarHBondContact O-N 3.49Å; C6-A9 PolarHBondContact O-N 3.01Å; C6-A9 VanDerWaalsContact O-N 3.12Å; C6-A9 PolarHBondContact SG-N 3.14Å; C6-N10 PolarHBondContact O-N 2.63Å; C6-C112 WeakPolarHBondContact CB-SG 3.23Å; C6-V116 HydrophobicContact CB-CG1 4.24Å
7K93Very high84.3Confident180 Ų18092.8 Ų92.878%0.78347%0.47SS*.Hα-helixtrans-55.7-37.4179.3-64.4-179.3-178.7178.20112.6N10 Q11K7-N10 PolarHBondContact O-N 3.39Å; K7-Q11 WeakPolarHBondContact O-CB 3.24Å; K7-Q11 PolarHBondContact O-N 3.49Å
8H94.1Very high84.9Confident62 Ų6288.9 Ų88.929%0.28745%0.45SS..Hα-helixtrans-65.1-45.6178.2-55124.3000112C6 Q11 F12 Y97 C109C6-H8 PolarHBondContact O-N 3.49Å; H8-Q11 PolarHBondContact O-N 3.47Å; H8-F12 WeakPolarHBondContact O-CB 3Å; H8-F12 PolarHBondContact O-N 3.05Å; H8-Y97 HydrophobicContact CB-CD2 3.57Å; H8-Y97 HydrophobicContact CB-CE2 3.72Å; H8-Y97 HydrophobicContact CB-CG 4.42Å; H8-Y97 VanDerWaalsContact O-CE2 3.31Å; H8-Y97 WeakPolarHBondContact O-CE2 3.38Å; H8-C109 PolarHBondContact ND1-SG 2.95Å
9A93.8Very high85.3Confident0 Ų086.7 Ų86.70%044%0.438CS..Hα-helixtrans-61.5-47.1175.400000111.2C6 Q11 F12 F13 L107 V116 H118C6-A9 PolarHBondContact O-N 3.01Å; C6-A9 VanDerWaalsContact O-N 3.12Å; C6-A9 PolarHBondContact SG-N 3.14Å; A9-Q11 VanDerWaalsContact C-N 3.32Å; A9-Q11 PolarHBondContact O-N 3.04Å; A9-F12 PolarHBondContact O-N 3.41Å; A9-F13 VanDerWaalsContact O-CD2 3.24Å; A9-F13 WeakPolarHBondContact O-CD2 3.38Å; A9-F13 PolarHBondContact O-N 2.92Å; A9-L107 HydrophobicContact CB-CD2 4.29Å; A9-V116 HydrophobicContact CB-CG2 4.47Å; A9-H118 HydrophobicContact CB-CB 4.3Å
10N93.8Very high85.7Confident44 Ų4487.1 Ų87.124%0.23544%0.44CS..Hα-helixtrans-56.8-46.7175.7-73.9-4.4000111.3E3 S5 C6 K7 F13 T14 H118E3-N10 PolarHBondContact OE2-ND2 2.9Å; S5-N10 WeakPolarHBondContact CB-OD1 3.48Å; S5-N10 PolarHBondContact OG-ND2 3.36Å; S5-N10 PolarHBondContact OG-OD1 2.64Å; C6-N10 PolarHBondContact O-N 2.63Å; K7-N10 PolarHBondContact O-N 3.39Å; N10-F13 PolarHBondContact O-N 3.39Å; N10-T14 VanDerWaalsContact O-CG2 3.23Å; N10-T14 WeakPolarHBondContact O-CG2 3.4Å; N10-T14 PolarHBondContact O-N 3.31Å; N10-H118 PolarHBondContact OD1-CD2 3.24Å; N10-H118 PolarHBondContact OD1-NE2 3.42Å
11Q93.4Very high86.1Confident114 Ų11484.2 Ų84.253%0.53343%0.43SS..Hα-helixtrans-62.3-45.2178.3-175.5176.5-1.800112.1K7 H8 A9 F13 T14K7-Q11 WeakPolarHBondContact O-CB 3.24Å; K7-Q11 PolarHBondContact O-N 3.49Å; H8-Q11 PolarHBondContact O-N 3.47Å; A9-Q11 VanDerWaalsContact C-N 3.32Å; A9-Q11 PolarHBondContact O-N 3.04Å; Q11-F13 PolarHBondContact O-N 3.2Å; Q11-T14 PolarHBondContact O-N 3.12Å; Q11-T14 PolarHBondContact O-OG1 3.33Å
12F94.9Very high88.6Confident0 Ų073.8 Ų73.80%038%0.378CS..Hα-helixtrans-59.1-47.5179.3-179-98.2000112.3H8 A9 T14 Q15 N18 A73 H74 Y97 L98H8-F12 WeakPolarHBondContact O-CB 3Å; H8-F12 PolarHBondContact O-N 3.05Å; A9-F12 PolarHBondContact O-N 3.41Å; F12-T14 VanDerWaalsContact C-N 3.26Å; F12-T14 PolarHBondContact O-N 2.68Å; F12-Q15 PolarHBondContact O-N 3.28Å; F12-N18 HydrophobicContact CD1-CB 3.91Å; F12-N18 HydrophobicContact CD2-CB 3.93Å; F12-N18 WeakPolarHBondContact CD2-ND2 3.43Å; F12-N18 HydrophobicContact CE1-CB 3.65Å; F12-N18 HydrophobicContact CE2-CB 3.68Å; F12-N18 HydrophobicContact CG-CB 4.05Å; F12-N18 HydrophobicContact CZ-CB 3.53Å; F12-N18 VanDerWaalsContact O-CB 3.26Å; F12-N18 WeakPolarHBondContact O-CB 3.26Å; F12-N18 PolarHBondContact O-ND2 3.26Å; F12-N18 VanDerWaalsContact O-ND2 3.15Å; F12-A73 HydrophobicContact CE1-CB 4.2Å; F12-A73 HydrophobicContact CE2-CB 4.01Å; F12-A73 HydrophobicContact CZ-CB 3.49Å; F12-A73 VanDerWaalsContact CZ-CB 3.49Å; F12-H74 AromaticContact CD2-CD2 4Å; F12-H74 AromaticContact CD2-CE1 3.53Å; F12-H74 AromaticContact CD2-NE2 3.25Å; F12-H74 WeakPolarHBondContact CD2-NE2 3.45Å; F12-H74 AromaticContact CE2-CD2 3.75Å; F12-H74 AromaticContact CE2-CE1 3.51Å; F12-H74 AromaticContact CE2-ND1 3.89Å; F12-H74 AromaticContact CE2-NE2 3.41Å; F12-H74 WeakPolarHBondContact CE2-NE2 3.31Å; F12-Y97 HydrophobicContact CB-CE2 4.15Å; F12-L98 HydrophobicContact CB-CD1 3.31Å; F12-L98 HydrophobicContact CB-CG 4.38Å; F12-L98 HydrophobicContact CD1-CD1 3.56Å; F12-L98 HydrophobicContact CD2-CD1 3.92Å; F12-L98 HydrophobicContact CE1-CD1 4.29Å; F12-L98 HydrophobicContact CG-CD1 3.34Å; F12-L98 HydrophobicContact CG-CG 4.39Å
13F94.1Very high90.7Very high20 Ų2071 Ų719%0.08836%0.355CS..Hα-helixtrans-76.9-5-177.3-74.6-69.1000114.2A9 N10 Q11 Q15 E19 Y22 L107 H118 V120 A121A9-F13 VanDerWaalsContact O-CD2 3.24Å; A9-F13 WeakPolarHBondContact O-CD2 3.38Å; A9-F13 PolarHBondContact O-N 2.92Å; N10-F13 PolarHBondContact O-N 3.39Å; Q11-F13 PolarHBondContact O-N 3.2Å; F13-Q15 PolarHBondContact O-N 3.45Å; F13-E19 HydrophobicContact CD1-CB 4.44Å; F13-E19 HydrophobicContact CD1-CG 4.35Å; F13-Y22 AromaticContact CE1-CD1 3.99Å; F13-Y22 HydrophobicContact CE1-CD1 3.99Å; F13-Y22 AromaticContact CE1-CG 3.98Å; F13-Y22 HydrophobicContact CE1-CG 3.98Å; F13-Y22 HydrophobicContact CZ-CD1 4.15Å; F13-Y22 HydrophobicContact CZ-CD2 4.19Å; F13-Y22 AromaticContact CZ-CG 3.98Å; F13-Y22 HydrophobicContact CZ-CG 3.98Å; F13-L107 HydrophobicContact CE2-CD2 3.88Å; F13-L107 HydrophobicContact CZ-CD2 4.47Å; F13-H118 HydrophobicContact CD2-CB 4.23Å; F13-H118 AromaticContact CD2-CD2 3.79Å; F13-H118 AromaticContact CD2-CE1 3.48Å; F13-H118 VanDerWaalsContact CD2-CE1 3.48Å; F13-H118 WeakPolarHBondContact CD2-CE1 3.07Å; F13-H118 AromaticContact CD2-CG 3.54Å; F13-H118 AromaticContact CD2-ND1 3.33Å; F13-H118 VanDerWaalsContact CD2-ND1 3.33Å; F13-H118 WeakPolarHBondContact CD2-ND1 3.2Å; F13-H118 AromaticContact CD2-NE2 3.75Å; F13-H118 HydrophobicContact CE2-CB 4.04Å; F13-H118 AromaticContact CE2-CG 3.86Å; F13-H118 AromaticContact CE2-ND1 3.79Å; F13-H118 AromaticContact CG-CE1 3.62Å; F13-H118 AromaticContact CG-ND1 3.8Å; F13-V120 HydrophobicContact CD1-CG1 4.29Å; F13-A121 HydrophobicContact CE1-CB 4.5Å; F13-A121 HydrophobicContact CE2-CB 3.97Å; F13-A121 HydrophobicContact CZ-CB 3.67Å
14T92.7Very high92.3Very high108 Ų10867.5 Ų67.566%0.66334%0.341SS*.THydrogen-bonded Turntrans-67.5-24.4168.863.10000112.5N10 Q11 F12N10-T14 VanDerWaalsContact O-CG2 3.23Å; N10-T14 WeakPolarHBondContact O-CG2 3.4Å; N10-T14 PolarHBondContact O-N 3.31Å; Q11-T14 PolarHBondContact O-N 3.12Å; Q11-T14 PolarHBondContact O-OG1 3.33Å; F12-T14 VanDerWaalsContact C-N 3.26Å; F12-T14 PolarHBondContact O-N 2.68Å
15Q92.7Very high93.2Very high100 Ų10060.3 Ų60.347%0.46731%0.305SS..SBendtrans-94.7120.2-179.9-60.7-178.13.200110.7F12 F13 T17 N18 E19F12-Q15 PolarHBondContact O-N 3.28Å; F13-Q15 PolarHBondContact O-N 3.45Å; Q15-T17 PolarHBondContact O-N 3.38Å; Q15-N18 HydrophobicContact CB-CB 4.17Å; Q15-N18 WeakPolarHBondContact O-CB 3.31Å; Q15-N18 PolarHBondContact O-N 2.96Å; Q15-N18 VanDerWaalsContact O-N 3.1Å; Q15-N18 PolarHBondContact OE1-ND2 3.15Å; Q15-E19 PolarHBondContact O-N 3.34Å
16K90.9Very high93.6Very high170 Ų17059.2 Ų59.274%0.73930%0.297SS*.Hα-helixtrans-59.2-33179.2-70.1-173.2177.7-177.80113.4N18 E19 I20K16-N18 VanDerWaalsContact C-N 3.34Å; K16-E19 PolarHBondContact O-N 2.9Å; K16-I20 VanDerWaalsContact O-CG1 3.31Å; K16-I20 WeakPolarHBondContact O-CG1 3.28Å; K16-I20 PolarHBondContact O-N 3.05Å
17T93.1Very high93.6Very high98 Ų9859.8 Ų59.860%0.60130%0.299SS*.Hα-helixtrans-62.1-41.7176.744.80000111.9Q15 I20 A21Q15-T17 PolarHBondContact O-N 3.38Å; T17-I20 PolarHBondContact O-N 3.17Å; T17-A21 PolarHBondContact O-N 3.1Å
18N93.7Very high93.5Very high23 Ų2356.1 Ų56.112%0.12329%0.285CS..Hα-helixtrans-68.8-38.9177.5-69.9-5.4000111.7F12 Q15 K16 I20 A21 Y22F12-N18 HydrophobicContact CD1-CB 3.91Å; F12-N18 HydrophobicContact CD2-CB 3.93Å; F12-N18 WeakPolarHBondContact CD2-ND2 3.43Å; F12-N18 HydrophobicContact CE1-CB 3.65Å; F12-N18 HydrophobicContact CE2-CB 3.68Å; F12-N18 HydrophobicContact CG-CB 4.05Å; F12-N18 HydrophobicContact CZ-CB 3.53Å; F12-N18 VanDerWaalsContact O-CB 3.26Å; F12-N18 WeakPolarHBondContact O-CB 3.26Å; F12-N18 PolarHBondContact O-ND2 3.26Å; F12-N18 VanDerWaalsContact O-ND2 3.15Å; Q15-N18 HydrophobicContact CB-CB 4.17Å; Q15-N18 WeakPolarHBondContact O-CB 3.31Å; Q15-N18 PolarHBondContact O-N 2.96Å; Q15-N18 VanDerWaalsContact O-N 3.1Å; Q15-N18 PolarHBondContact OE1-ND2 3.15Å; K16-N18 VanDerWaalsContact C-N 3.34Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 3.4Å; N18-A21 PolarHBondContact O-N 3.48Å; N18-Y22 WeakPolarHBondContact O-CB 3.29Å; N18-Y22 PolarHBondContact O-N 2.84Å
19E93.4Very high93.4Very high46 Ų4653.7 Ų53.722%0.21527%0.274CS..Hα-helixtrans-59.9-42.9173.1-165-162.713600111.4F13 Q15 K16 Y22 K23 V120 F124F13-E19 HydrophobicContact CD1-CB 4.44Å; F13-E19 HydrophobicContact CD1-CG 4.35Å; Q15-E19 PolarHBondContact O-N 3.34Å; K16-E19 PolarHBondContact O-N 2.9Å; E19-Y22 PolarHBondContact O-N 3.22Å; E19-K23 WeakPolarHBondContact O-CG 3.24Å; E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.49Å; E19-K23 IonicContact OE1-NZ 3.84Å; E19-K23 PolarHBondContact OE1-NZ 3.48Å; E19-V120 HydrophobicContact CG-CG1 4.26Å; E19-F124 HydrophobicContact CG-CE2 4.04Å; E19-F124 WeakPolarHBondContact OE1-CE2 3.22Å; E19-F124 WeakPolarHBondContact OE1-CZ 3.12Å
20I93.3Very high93.3Very high94 Ų9453.7 Ų53.748%0.48227%0.274SS..Hα-helixtrans-65.1-43.8175.8-66.2163.5000110.9K16 T17 N18 Y22 K23 N24K16-I20 VanDerWaalsContact O-CG1 3.31Å; K16-I20 WeakPolarHBondContact O-CG1 3.28Å; K16-I20 PolarHBondContact O-N 3.05Å; T17-I20 PolarHBondContact O-N 3.17Å; N18-I20 VanDerWaalsContact C-N 3.32Å; N18-I20 PolarHBondContact O-N 3.4Å; I20-Y22 PolarHBondContact O-N 3.1Å; I20-K23 PolarHBondContact O-N 3.1Å; I20-N24 PolarHBondContact O-N 3.03Å; I20-N24 PolarHBondContact O-ND2 3.14Å
21A92.9Very high93.2Very high27 Ų2752.1 Ų52.122%0.22327%0.265CS..Hα-helixtrans-58.7-47176.800000111.5T17 N18 K23 N24 I25T17-A21 PolarHBondContact O-N 3.1Å; N18-A21 PolarHBondContact O-N 3.48Å; A21-K23 PolarHBondContact O-N 3.5Å; A21-N24 PolarHBondContact O-N 3.43Å; A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 2.91Å
22Y95.5Very high93Very high3 Ų346.7 Ų46.71%0.01224%0.24CC..Hα-helixtrans-58.2-47.2174.1174.9-99.1000112.1F13 N18 E19 I20 N24 I25 I26 V100 L107 A121 F124F13-Y22 AromaticContact CE1-CD1 3.99Å; F13-Y22 HydrophobicContact CE1-CD1 3.99Å; F13-Y22 AromaticContact CE1-CG 3.98Å; F13-Y22 HydrophobicContact CE1-CG 3.98Å; F13-Y22 HydrophobicContact CZ-CD1 4.15Å; F13-Y22 HydrophobicContact CZ-CD2 4.19Å; F13-Y22 AromaticContact CZ-CG 3.98Å; F13-Y22 HydrophobicContact CZ-CG 3.98Å; N18-Y22 WeakPolarHBondContact O-CB 3.29Å; N18-Y22 PolarHBondContact O-N 2.84Å; E19-Y22 PolarHBondContact O-N 3.22Å; I20-Y22 PolarHBondContact O-N 3.1Å; Y22-N24 VanDerWaalsContact C-N 3.28Å; Y22-N24 PolarHBondContact O-N 3.09Å; Y22-I25 PolarHBondContact O-N 3.3Å; Y22-I26 HydrophobicContact CD1-CG1 4.21Å; Y22-I26 HydrophobicContact CD2-CG1 4.23Å; Y22-I26 HydrophobicContact CE1-CG1 3.69Å; Y22-I26 HydrophobicContact CE2-CD1 3.99Å; Y22-I26 HydrophobicContact CE2-CG1 3.7Å; Y22-I26 HydrophobicContact CG-CG1 4.45Å; Y22-I26 WeakPolarHBondContact O-CG1 3.33Å; Y22-I26 PolarHBondContact O-N 3.44Å; Y22-V100 HydrophobicContact CD2-CG2 3.57Å; Y22-V100 HydrophobicContact CE2-CG1 4.41Å; Y22-V100 HydrophobicContact CE2-CG2 3.62Å; Y22-L107 HydrophobicContact CD2-CD1 4.39Å; Y22-L107 HydrophobicContact CE2-CD1 4.2Å; Y22-A121 HydrophobicContact CE1-CB 3.86Å; Y22-A121 HydrophobicContact CE2-CB 4.31Å; Y22-A121 PolarHBondContact OH-O 3.42Å; Y22-F124 HydrophobicContact CE1-CB 4.1Å
23K94.2Very high92.5Very high57 Ų5750.6 Ų50.625%0.24826%0.256CS..Hα-helixtrans-58.4-39.4177.2-74.8179.6-150.8-167.50112.6E19 I20 A21 I26 N27 F124E19-K23 WeakPolarHBondContact O-CG 3.24Å; E19-K23 PolarHBondContact O-N 2.91Å; E19-K23 WeakPolarHBondContact OE1-CE 3.49Å; E19-K23 IonicContact OE1-NZ 3.84Å; E19-K23 PolarHBondContact OE1-NZ 3.48Å; I20-K23 PolarHBondContact O-N 3.1Å; A21-K23 PolarHBondContact O-N 3.5Å; K23-I26 PolarHBondContact O-N 3.21Å; K23-N27 WeakPolarHBondContact O-CB 3.47Å; K23-N27 PolarHBondContact O-N 3.42Å; K23-N27 PolarHBondContact O-ND2 3.5Å; K23-F124 HydrophobicContact CD-CD1 4.05Å; K23-F124 HydrophobicContact CD-CD2 4.47Å; K23-F124 HydrophobicContact CD-CE1 3.93Å; K23-F124 HydrophobicContact CD-CE2 4.34Å; K23-F124 HydrophobicContact CD-CG 4.38Å; K23-F124 HydrophobicContact CD-CZ 4.12Å; K23-F124 HydrophobicContact CG-CD1 4.02Å; K23-F124 HydrophobicContact CG-CD2 4.03Å; K23-F124 HydrophobicContact CG-CE1 4.36Å; K23-F124 HydrophobicContact CG-CE2 4.34Å; K23-F124 HydrophobicContact CG-CG 3.91Å
24N93Very high92.1Very high76 Ų7652.4 Ų52.441%0.40627%0.272SS..Hα-helixtrans-67-43.5178.9-72.6-23.7000111.2I20 A21 Y22 I26 H28I20-N24 PolarHBondContact O-N 3.03Å; I20-N24 PolarHBondContact O-ND2 3.14Å; A21-N24 PolarHBondContact O-N 3.43Å; Y22-N24 VanDerWaalsContact C-N 3.28Å; Y22-N24 PolarHBondContact O-N 3.09Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.5Å; N24-H28 VanDerWaalsContact O-CB 3.3Å; N24-H28 WeakPolarHBondContact O-CB 3.21Å; N24-H28 PolarHBondContact O-CD2 3.32Å; N24-H28 PolarHBondContact O-N 3.37Å
25I94.9Very high91.3Very high0 Ų050.7 Ų50.70%026%0.256CS..Hα-helixtrans-60.2-47.2174.6-64.2167000110A21 Y22 I29 A30 A71 A73 I76 V100A21-I25 WeakPolarHBondContact O-CG1 3.4Å; A21-I25 PolarHBondContact O-N 2.91Å; Y22-I25 PolarHBondContact O-N 3.3Å; I25-I29 HydrophobicContact CB-CD1 4.42Å; I25-I29 HydrophobicContact CG1-CD1 4.2Å; I25-I29 HydrophobicContact CG2-CB 4.36Å; I25-I29 HydrophobicContact CG2-CD1 4.31Å; I25-I29 CarbonylContact O-C 3.57Å; I25-I29 WeakPolarHBondContact O-CA 3.29Å; I25-I29 VanDerWaalsContact O-CB 3.22Å; I25-I29 WeakPolarHBondContact O-CB 3.06Å; I25-I29 PolarHBondContact O-N 3.09Å; I25-A30 PolarHBondContact O-N 3.39Å; I25-A71 HydrophobicContact CG2-CB 4.1Å; I25-A73 HydrophobicContact CD1-CB 4.35Å; I25-I76 HydrophobicContact CD1-CG1 4.41Å; I25-I76 HydrophobicContact CG1-CG1 4.4Å; I25-V100 HydrophobicContact CG2-CB 3.85Å; I25-V100 HydrophobicContact CG2-CG1 4.11Å; I25-V100 HydrophobicContact CG2-CG2 4.16Å
26I95.2Very high90.7Very high0 Ų056.3 Ų56.30%027%0.273CS..Iπ-helixtrans-63.6-48.2-179.1-72.3-66.3000112.4Y22 K23 N24 A30 F31 V100 G105 A128Y22-I26 HydrophobicContact CD1-CG1 4.21Å; Y22-I26 HydrophobicContact CD2-CG1 4.23Å; Y22-I26 HydrophobicContact CE1-CG1 3.69Å; Y22-I26 HydrophobicContact CE2-CD1 3.99Å; Y22-I26 HydrophobicContact CE2-CG1 3.7Å; Y22-I26 HydrophobicContact CG-CG1 4.45Å; Y22-I26 WeakPolarHBondContact O-CG1 3.33Å; Y22-I26 PolarHBondContact O-N 3.44Å; K23-I26 PolarHBondContact O-N 3.21Å; N24-I26 VanDerWaalsContact C-N 3.34Å; N24-I26 PolarHBondContact O-N 3.5Å; I26-A30 HydrophobicContact CD1-CB 4.32Å; I26-F31 HydrophobicContact CG2-CD2 4Å; I26-F31 WeakPolarHBondContact O-CA 3.25Å; I26-F31 WeakPolarHBondContact O-CB 3.31Å; I26-F31 PolarHBondContact O-N 2.99Å; I26-V100 HydrophobicContact CD1-CG1 3.67Å; I26-V100 HydrophobicContact CG1-CG1 4.49Å; I26-G105 WeakPolarHBondContact CD1-O 3.42Å; I26-A128 HydrophobicContact CG2-CB 3.33Å
27N93.4Very high90.4Very high34 Ų3448.5 Ų48.518%0.18224%0.241CC..Iπ-helixtrans-83.3-18.5-173.8-75.5-78.7000115K23 F31 P32 K33K23-N27 WeakPolarHBondContact O-CB 3.47Å; K23-N27 PolarHBondContact O-N 3.42Å; K23-N27 PolarHBondContact O-ND2 3.5Å; N27-F31 CarbonylContact C-O 3.55Å; N27-F31 VanDerWaalsContact O-O 3.08Å; N27-P32 WeakPolarHBondContact O-CA 3.36Å; N27-K33 WeakPolarHBondContact OD1-CE 3.5Å; N27-K33 PolarHBondContact OD1-NZ 3.4Å
28H91.6Very high89.8Confident102 Ų10244 Ų4447%0.47221%0.214SC..Iπ-helixtrans-120.9-16.6-174.3-58-58.3000114.2N24N24-H28 VanDerWaalsContact O-CB 3.3Å; N24-H28 WeakPolarHBondContact O-CB 3.21Å; N24-H28 PolarHBondContact O-CD2 3.32Å; N24-H28 PolarHBondContact O-N 3.37Å
29I91.4Very high89.1Confident11 Ų1143.7 Ų43.76%0.05621%0.212CC..Iπ-helixtrans-115.4-56.6179.8-55.9176.3000110.3I25 K41 L44 I76 F78 T102I25-I29 HydrophobicContact CB-CD1 4.42Å; I25-I29 HydrophobicContact CG1-CD1 4.2Å; I25-I29 HydrophobicContact CG2-CB 4.36Å; I25-I29 HydrophobicContact CG2-CD1 4.31Å; I25-I29 CarbonylContact O-C 3.57Å; I25-I29 WeakPolarHBondContact O-CA 3.29Å; I25-I29 VanDerWaalsContact O-CB 3.22Å; I25-I29 WeakPolarHBondContact O-CB 3.06Å; I25-I29 PolarHBondContact O-N 3.09Å; I29-K41 WeakPolarHBondContact O-CD 3.38Å; I29-L44 HydrophobicContact CG2-CD1 3.39Å; I29-I76 HydrophobicContact CD1-CG2 3.68Å; I29-F78 HydrophobicContact CD1-CE1 4.42Å; I29-F78 HydrophobicContact CD1-CZ 4.05Å; I29-F78 HydrophobicContact CG2-CE1 4.08Å; I29-F78 HydrophobicContact CG2-CZ 4.4Å; I29-T102 HydrophobicContact CG2-CG2 3.96Å
30A91.1Very high88.6Confident0 Ų045.6 Ų45.60%022%0.221CC..Iπ-helixtrans-73-49.5-176.400000112.2I25 I26 P32 K41 T102I25-A30 PolarHBondContact O-N 3.39Å; I26-A30 HydrophobicContact CD1-CB 4.32Å; A30-P32 VanDerWaalsContact C-CD 3.4Å; A30-P32 WeakPolarHBondContact O-CD 3.35Å; A30-K41 PolarHBondContact O-NZ 3.23Å; A30-T102 VanDerWaalsContact CA-O 3.29Å; A30-T102 WeakPolarHBondContact CA-O 3.41Å
31F90.9Very high88.3Confident11 Ų1141.8 Ų41.85%0.04820%0.201CC..SBendtrans-125.662.7-177.4-55.5-53.2000111.1I26 N27 R104 H125 A128 C129 Y132I26-F31 HydrophobicContact CG2-CD2 4Å; I26-F31 WeakPolarHBondContact O-CA 3.25Å; I26-F31 WeakPolarHBondContact O-CB 3.31Å; I26-F31 PolarHBondContact O-N 2.99Å; N27-F31 CarbonylContact C-O 3.55Å; N27-F31 VanDerWaalsContact O-O 3.08Å; F31-R104 WeakPolarHBondContact CZ-O 3.43Å; F31-H125 AromaticContact CE2-CD2 3.69Å; F31-H125 AromaticContact CE2-NE2 3.79Å; F31-H125 AromaticContact CZ-NE2 3.67Å; F31-A128 HydrophobicContact CB-CB 4.26Å; F31-A128 HydrophobicContact CD2-CB 3.91Å; F31-C129 HydrophobicContact CD1-CB 4.46Å; F31-C129 HydrophobicContact CD2-CB 4.09Å; F31-C129 HydrophobicContact CE1-CB 4.18Å; F31-C129 HydrophobicContact CE2-CB 3.78Å; F31-C129 HydrophobicContact CG-CB 4.42Å; F31-C129 HydrophobicContact CZ-CB 3.83Å; F31-Y132 HydrophobicContact CB-CD2 4.08Å; F31-Y132 HydrophobicContact CB-CG 3.89Å; F31-Y132 AromaticContact CD1-CD1 3.83Å; F31-Y132 HydrophobicContact CD1-CD1 3.83Å; F31-Y132 HydrophobicContact CD1-CE1 4.26Å; F31-Y132 HydrophobicContact CD1-CG 4.06Å; F31-Y132 HydrophobicContact CG-CG 4.39Å
32P90.2Very high87.5Confident1 Ų142.5 Ų42.51%0.00621%0.207CC..  trans-63.7143.3-178.728-35000111.7N27 A30 F38 K41 Y132N27-P32 WeakPolarHBondContact O-CA 3.36Å; A30-P32 VanDerWaalsContact C-CD 3.4Å; A30-P32 WeakPolarHBondContact O-CD 3.35Å; P32-F38 HydrophobicContact CB-CD2 4.38Å; P32-F38 HydrophobicContact CB-CG 4.27Å; P32-F38 HydrophobicContact CG-CB 4.42Å; P32-F38 HydrophobicContact CG-CD1 3.67Å; P32-F38 HydrophobicContact CG-CD2 4.32Å; P32-F38 HydrophobicContact CG-CE1 4.06Å; P32-F38 HydrophobicContact CG-CG 3.82Å; P32-F38 HydrophobicContact CG-CZ 4.48Å; P32-F38 VanDerWaalsContact O-CE2 3.26Å; P32-F38 WeakPolarHBondContact O-CE2 3.4Å; P32-F38 WeakPolarHBondContact O-CZ 3.45Å; P32-K41 HydrophobicContact CG-CB 4.39Å; P32-K41 HydrophobicContact CG-CD 4.22Å; P32-Y132 HydrophobicContact CG-CE2 4.28Å; P32-Y132 WeakPolarHBondContact O-CD2 3.44Å
33K85.4Confident86.9Confident81 Ų8146.1 Ų46.135%0.35223%0.229SC..  trans-110.9-4.3-179.4-56.9173.4-166174.20113.6N27 T131N27-K33 WeakPolarHBondContact OD1-CE 3.5Å; N27-K33 PolarHBondContact OD1-NZ 3.4Å; K33-T131 HydrophobicContact CD-CG2 3.79Å; K33-T131 HydrophobicContact CG-CG2 4.49Å
34S84.1Confident86.6Confident59 Ų5944.8 Ų44.841%0.41323%0.225SC..SBendtrans-124147.6-175.6650000110.3R36 G37 F38S34-R36 PolarHBondContact O-N 3.47Å; S34-R36 VanDerWaalsContact O-N 3.16Å; S34-G37 WeakPolarHBondContact O-CA 3.41Å; S34-G37 PolarHBondContact O-N 3.48Å; S34-G37 PolarHBondContact OG-N 2.91Å; S34-F38 WeakPolarHBondContact O-CD2 3.29Å; S34-F38 PolarHBondContact O-N 3.37Å; S34-F38 VanDerWaalsContact O-N 3.1Å
35Q75.6Confident86.3Confident72 Ų7243.3 Ų43.334%0.33622%0.22SC..Hα-helixtrans-45.1-49.7176.7-172.482.231.300111.3G37 F38 T39 A490 Y492 D493Q35-G37 VanDerWaalsContact C-N 3.31Å; Q35-G37 PolarHBondContact O-N 3.28Å; Q35-F38 PolarHBondContact O-N 3.45Å; Q35-F38 VanDerWaalsContact O-N 3.13Å; Q35-T39 PolarHBondContact O-N 2.97Å; Q35-T39 PolarHBondContact O-OG1 3.42Å; Q35-T39 VanDerWaalsContact O-OG1 3.09Å; Q35-A490 VanDerWaalsContact NE2-CB 3.33Å; Q35-Y492 PolarHBondContact OE1-OH 3.46Å; Q35-D493 PolarHBondContact NE2-OD2 3.47Å
36R81.5Confident86Confident217 Ų21743.3 Ų43.382%0.81922%0.22SC*.Hα-helixtrans-55.8-42.5177.8-177.1179.9176.5-174.90112.9S34 H40S34-R36 PolarHBondContact O-N 3.47Å; S34-R36 VanDerWaalsContact O-N 3.16Å; R36-H40 WeakPolarHBondContact O-CB 3.47Å; R36-H40 PolarHBondContact O-N 3.04Å
37G84.7Confident85.7Confident7 Ų746.3 Ų46.37%0.07224%0.238CC..Hα-helixtrans-66-40.6178.900000112.1S34 Q35 H40 K41S34-G37 WeakPolarHBondContact O-CA 3.41Å; S34-G37 PolarHBondContact O-N 3.48Å; S34-G37 PolarHBondContact OG-N 2.91Å; Q35-G37 VanDerWaalsContact C-N 3.31Å; Q35-G37 PolarHBondContact O-N 3.28Å; G37-H40 PolarHBondContact O-N 3.24Å; G37-K41 PolarHBondContact O-N 2.73Å
38F80.7Confident85.4Confident4 Ų447 Ų472%0.01824%0.242CC..Hα-helixtrans-70.3-41.2176.5-74.6-82.3000113.5P32 S34 Q35 H40 K41 A42 Y132 F136 A490 Y492P32-F38 HydrophobicContact CB-CD2 4.38Å; P32-F38 HydrophobicContact CB-CG 4.27Å; P32-F38 HydrophobicContact CG-CB 4.42Å; P32-F38 HydrophobicContact CG-CD1 3.67Å; P32-F38 HydrophobicContact CG-CD2 4.32Å; P32-F38 HydrophobicContact CG-CE1 4.06Å; P32-F38 HydrophobicContact CG-CG 3.82Å; P32-F38 HydrophobicContact CG-CZ 4.48Å; P32-F38 VanDerWaalsContact O-CE2 3.26Å; P32-F38 WeakPolarHBondContact O-CE2 3.4Å; P32-F38 WeakPolarHBondContact O-CZ 3.45Å; S34-F38 WeakPolarHBondContact O-CD2 3.29Å; S34-F38 PolarHBondContact O-N 3.37Å; S34-F38 VanDerWaalsContact O-N 3.1Å; Q35-F38 PolarHBondContact O-N 3.45Å; Q35-F38 VanDerWaalsContact O-N 3.13Å; F38-H40 VanDerWaalsContact C-N 3.26Å; F38-H40 PolarHBondContact O-N 2.89Å; F38-K41 PolarHBondContact O-N 3.18Å; F38-A42 WeakPolarHBondContact O-CB 3.29Å; F38-A42 PolarHBondContact O-N 3.43Å; F38-Y132 HydrophobicContact CD1-CE2 4.33Å; F38-Y132 HydrophobicContact CE1-CD2 4.28Å; F38-Y132 AromaticContact CE1-CE2 3.35Å; F38-Y132 HydrophobicContact CE1-CE2 3.35Å; F38-Y132 HydrophobicContact CZ-CD2 4.16Å; F38-Y132 AromaticContact CZ-CE2 3.66Å; F38-Y132 HydrophobicContact CZ-CE2 3.66Å; F38-F136 HydrophobicContact CE1-CE2 4.23Å; F38-F136 AromaticContact CE1-CZ 3.8Å; F38-F136 HydrophobicContact CE1-CZ 3.8Å; F38-F136 HydrophobicContact CZ-CE2 4Å; F38-F136 AromaticContact CZ-CZ 3.68Å; F38-F136 HydrophobicContact CZ-CZ 3.68Å; F38-A490 HydrophobicContact CB-CB 3.84Å; F38-Y492 HydrophobicContact CB-CD1 3.44Å; F38-Y492 VanDerWaalsContact CB-CD1 3.44Å; F38-Y492 HydrophobicContact CB-CE1 3.23Å; F38-Y492 AromaticContact CD1-CD1 3.22Å; F38-Y492 HydrophobicContact CD1-CD1 3.22Å; F38-Y492 AromaticContact CD1-CE1 3.67Å; F38-Y492 HydrophobicContact CD1-CE1 3.67Å; F38-Y492 HydrophobicContact CD1-CG 4.18Å; F38-Y492 AromaticContact CD2-CD1 3.72Å; F38-Y492 HydrophobicContact CD2-CD1 3.72Å; F38-Y492 AromaticContact CD2-CE1 3.2Å; F38-Y492 HydrophobicContact CD2-CE1 3.2Å; F38-Y492 AromaticContact CD2-CZ 3.99Å; F38-Y492 AromaticContact CE1-CD1 3.7Å; F38-Y492 HydrophobicContact CE1-CD1 3.7Å; F38-Y492 HydrophobicContact CE1-CE1 4.19Å; F38-Y492 HydrophobicContact CE1-CG 4.29Å; F38-Y492 HydrophobicContact CE2-CD1 4.2Å; F38-Y492 AromaticContact CE2-CE1 3.85Å; F38-Y492 HydrophobicContact CE2-CE1 3.85Å; F38-Y492 AromaticContact CG-CD1 3.23Å; F38-Y492 HydrophobicContact CG-CD1 3.23Å; F38-Y492 AromaticContact CG-CE1 3.12Å; F38-Y492 HydrophobicContact CG-CE1 3.12Å; F38-Y492 HydrophobicContact CG-CG 4.45Å; F38-Y492 HydrophobicContact CZ-CD1 4.19Å; F38-Y492 HydrophobicContact CZ-CE1 4.3Å
39T78.5Confident85.1Confident15 Ų1542.3 Ų42.39%0.09222%0.22CC..Hα-helixtrans-58.6-44.3172-57.50000109.9Q35 K41 A42 T43 Q488Q35-T39 PolarHBondContact O-N 2.97Å; Q35-T39 PolarHBondContact O-OG1 3.42Å; Q35-T39 VanDerWaalsContact O-OG1 3.09Å; T39-K41 PolarHBondContact O-N 3.35Å; T39-A42 WeakPolarHBondContact O-CB 3.22Å; T39-A42 PolarHBondContact O-N 3.44Å; T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.85Å; T39-Q488 HydrophobicContact CG2-CB 3.41Å; T39-Q488 VanDerWaalsContact CG2-CB 3.41Å; T39-Q488 HydrophobicContact CG2-CG 4.34Å
40H83.5Confident84.5Confident87 Ų8749.3 Ų49.340%0.40325%0.25SS..Hα-helixtrans-59.8-48.1174.7-172.351000111.6R36 G37 F38 A42 T43 L44R36-H40 WeakPolarHBondContact O-CB 3.47Å; R36-H40 PolarHBondContact O-N 3.04Å; G37-H40 PolarHBondContact O-N 3.24Å; F38-H40 VanDerWaalsContact C-N 3.26Å; F38-H40 PolarHBondContact O-N 2.89Å; H40-A42 VanDerWaalsContact C-N 3.31Å; H40-A42 PolarHBondContact O-N 3.47Å; H40-T43 PolarHBondContact O-N 3.02Å; H40-T43 VanDerWaalsContact O-N 3.08Å; H40-T43 PolarHBondContact O-OG1 3.05Å; H40-L44 WeakPolarHBondContact O-CG 3.44Å; H40-L44 PolarHBondContact O-N 3.24Å
41K85.6Confident84.1Confident13 Ų1354.4 Ų54.46%0.05728%0.282CS..Hα-helixtrans-54.5-44.7176.4-171.8-179.6-178.3174.90112.3I29 A30 P32 G37 F38 T39 T43 L44 T102 E103I29-K41 WeakPolarHBondContact O-CD 3.38Å; A30-K41 PolarHBondContact O-NZ 3.23Å; P32-K41 HydrophobicContact CG-CB 4.39Å; P32-K41 HydrophobicContact CG-CD 4.22Å; G37-K41 PolarHBondContact O-N 2.73Å; F38-K41 PolarHBondContact O-N 3.18Å; T39-K41 PolarHBondContact O-N 3.35Å; K41-T43 PolarHBondContact O-N 3.33Å; K41-L44 WeakPolarHBondContact O-CB 3.46Å; K41-L44 WeakPolarHBondContact O-CG 3.47Å; K41-L44 PolarHBondContact O-N 2.85Å; K41-T102 VanDerWaalsContact CE-O 3.3Å; K41-T102 WeakPolarHBondContact CE-O 3.37Å; K41-T102 PolarHBondContact NZ-O 3.46Å; K41-E103 IonicContact NZ-OE2 2.77Å; K41-E103 PolarHBondContact NZ-OE2 3.07Å
42A76.7Confident83.5Confident42 Ų4260.5 Ų60.535%0.34730%0.304SS..Hα-helixtrans-59.4-27.8179.300000114.1F38 T39 H40 W491F38-A42 WeakPolarHBondContact O-CB 3.29Å; F38-A42 PolarHBondContact O-N 3.43Å; T39-A42 WeakPolarHBondContact O-CB 3.22Å; T39-A42 PolarHBondContact O-N 3.44Å; H40-A42 VanDerWaalsContact C-N 3.31Å; H40-A42 PolarHBondContact O-N 3.47Å; A42-W491 HydrophobicContact CB-CB 3.47Å; A42-W491 VanDerWaalsContact CB-CB 3.47Å
43T82.4Confident82.4Confident79 Ų7963.7 Ų63.749%0.48534%0.337SS..THydrogen-bonded Turntrans-96-2.7-176.262.90000113.6T39 H40 K41T39-T43 WeakPolarHBondContact O-CG2 3.49Å; T39-T43 PolarHBondContact O-N 2.85Å; H40-T43 PolarHBondContact O-N 3.02Å; H40-T43 VanDerWaalsContact O-N 3.08Å; H40-T43 PolarHBondContact O-OG1 3.05Å; K41-T43 PolarHBondContact O-N 3.33Å
44L87.6Confident81.2Confident30 Ų3063 Ų6316%0.15734%0.335CS..  trans-70.3136.5-178.4-59.9-176.2000110.9I29 H40 K41 L69 F78 T102I29-L44 HydrophobicContact CG2-CD1 3.39Å; H40-L44 WeakPolarHBondContact O-CG 3.44Å; H40-L44 PolarHBondContact O-N 3.24Å; K41-L44 WeakPolarHBondContact O-CB 3.46Å; K41-L44 WeakPolarHBondContact O-CG 3.47Å; K41-L44 PolarHBondContact O-N 2.85Å; L44-L69 HydrophobicContact CB-CD2 3.56Å; L44-F78 HydrophobicContact CD1-CD1 4.25Å; L44-F78 HydrophobicContact CD1-CE1 3.59Å; L44-F78 HydrophobicContact CD1-CZ 3.96Å; L44-F78 HydrophobicContact CD2-CD1 4.4Å; L44-F78 HydrophobicContact CD2-CD2 4.26Å; L44-F78 HydrophobicContact CD2-CE1 3.85Å; L44-F78 HydrophobicContact CD2-CE2 3.69Å; L44-F78 HydrophobicContact CD2-CZ 3.45Å; L44-F78 VanDerWaalsContact CD2-CZ 3.45Å; L44-F78 HydrophobicContact CG-CE1 4.24Å; L44-F78 HydrophobicContact CG-CZ 4.3Å; L44-T102 HydrophobicContact CD1-CG2 4.11Å
45C86.8Confident79.7Confident44 Ų4465.8 Ų65.830%0.29735%0.345SS..  trans-151.4162.1176.750.40000109.3T47 F78C45-T47 PolarHBondContact O-N 2.92Å; C45-F78 WeakPolarHBondContact O-CB 3.29Å
46C89.9Confident78.4Confident1 Ų165 Ų651%0.00734%0.341CS..  trans-67.3128.4174.2174.20000110.4L48 C49 K50 F56 L69 C80 H85C46-L48 VanDerWaalsContact C-N 3.29Å; C46-L48 PolarHBondContact O-N 3.42Å; C46-C49 HydrophobicContact CB-CB 3.97Å; C46-C49 PolarHBondContact O-N 3.21Å; C46-K50 WeakPolarHBondContact O-CB 3.42Å; C46-K50 PolarHBondContact O-N 3.35Å; C46-F56 HydrophobicContact CB-CD2 4.33Å; C46-F56 HydrophobicContact CB-CE2 3.87Å; C46-L69 HydrophobicContact CB-CD1 4Å; C46-C80 HydrophobicContact CB-CB 3.92Å; C46-C80 PolarHBondContact SG-N 3.15Å; C46-C80 VanDerWaalsContact SG-N 3.42Å; C46-C80 VanDerWaalsContact SG-SG 3.68Å; C46-H85 PolarHBondContact SG-ND1 3.22Å; C46-H85 VanDerWaalsContact SG-ND1 3.37Å
47T89Confident76.8Confident62 Ų6260.9 Ų60.938%0.3834%0.335SS..Hα-helixtrans-55.8-42.5-179.3-49.90000112.3C45 T51 H77 F78C45-T47 PolarHBondContact O-N 2.92Å; T47-T51 WeakPolarHBondContact O-CG2 3.43Å; T47-T51 PolarHBondContact O-N 2.81Å; T47-T51 PolarHBondContact O-OG1 2.93Å; T47-H77 PolarHBondContact OG1-CE1 3.27Å; T47-H77 VanDerWaalsContact OG1-CE1 3.3Å; T47-F78 PolarHBondContact N-O 3.45Å; T47-F78 PolarHBondContact OG1-O 3.23Å
48L86.9Confident74.9Confident50 Ų5066 Ų6626%0.26237%0.365SS..Hα-helixtrans-77.3-39-178.5-71.3175.3000113.3C46 K50 T51 R52 H85 L88C46-L48 VanDerWaalsContact C-N 3.29Å; C46-L48 PolarHBondContact O-N 3.42Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.49Å; L48-T51 PolarHBondContact O-N 3.35Å; L48-T51 PolarHBondContact O-OG1 2.78Å; L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 3.22Å; L48-R52 VanDerWaalsContact O-N 3.08Å; L48-H85 HydrophobicContact CD1-CB 3.99Å; L48-L88 HydrophobicContact CD1-CB 4.5Å; L48-L88 HydrophobicContact CD1-CD1 3.87Å
49C83.7Confident73Confident3 Ų366.8 Ų66.82%0.0237%0.37CS..Hα-helixtrans-62.1-42.4175.4-63.50000110.6C46 T51 R52 G53 E54 F56 H85C46-C49 HydrophobicContact CB-CB 3.97Å; C46-C49 PolarHBondContact O-N 3.21Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3Å; C49-R52 PolarHBondContact O-N 2.91Å; C49-G53 PolarHBondContact O-N 3.48Å; C49-G53 VanDerWaalsContact O-N 3.12Å; C49-E54 HydrophobicContact CB-CB 4.4Å; C49-E54 PolarHBondContact O-N 2.88Å; C49-F56 HydrophobicContact CB-CD2 4.14Å; C49-H85 VanDerWaalsContact SG-CE1 3.5Å; C49-H85 PolarHBondContact SG-ND1 3.47Å; C49-H85 VanDerWaalsContact SG-ND1 3.42Å
50K80.8Confident71.3Confident158 Ų15870.9 Ų70.969%0.68739%0.392SS*.Hα-helixtrans-59.1-40.2177.7-173.3178.9-174.6170.70112.7C46 L48C46-K50 WeakPolarHBondContact O-CB 3.42Å; C46-K50 PolarHBondContact O-N 3.35Å; L48-K50 VanDerWaalsContact C-N 3.29Å; L48-K50 PolarHBondContact O-N 3.49Å
51T81.4Confident69.4Low107 Ų10775.9 Ų75.966%0.65641%0.412SS*.Hα-helixtrans-76.9-30.2-179.753.60000113T47 L48 C49 G53T47-T51 WeakPolarHBondContact O-CG2 3.43Å; T47-T51 PolarHBondContact O-N 2.81Å; T47-T51 PolarHBondContact O-OG1 2.93Å; L48-T51 PolarHBondContact O-N 3.35Å; L48-T51 PolarHBondContact O-OG1 2.78Å; C49-T51 VanDerWaalsContact C-N 3.32Å; C49-T51 PolarHBondContact O-N 3Å; T51-G53 VanDerWaalsContact C-N 3.32Å
52R78.6Confident67.5Low139 Ų13982.9 Ų82.953%0.52545%0.45SS..Hα-helixtrans-82.1-9.1178.3-67.8-178-179.9178.12.9113.9L48 C49 E54L48-R52 WeakPolarHBondContact O-CG 3.31Å; L48-R52 PolarHBondContact O-N 3.22Å; L48-R52 VanDerWaalsContact O-N 3.08Å; C49-R52 PolarHBondContact O-N 2.91Å; R52-E54 HydrophobicContact CB-CB 4.47Å; R52-E54 HydrophobicContact CB-CG 3.82Å; R52-E54 VanDerWaalsContact CD-OE1 3.29Å; R52-E54 WeakPolarHBondContact CD-OE1 3.4Å; R52-E54 IonicContact NH1-OE1 3.63Å; R52-E54 PolarHBondContact O-N 2.94Å
53G66.6Low66.5Low67 Ų6783.9 Ų83.969%0.69145%0.45SS*.THydrogen-bonded Turntrans64.122-171.700000112.3C49 T51 D55C49-G53 PolarHBondContact O-N 3.48Å; C49-G53 VanDerWaalsContact O-N 3.12Å; T51-G53 VanDerWaalsContact C-N 3.32Å; G53-D55 PolarHBondContact O-N 3.44Å
54E61.3Low65.4Low68 Ų6887.4 Ų87.432%0.31846%0.464SS..  trans-75.2108.2171.6-71169.6-176.400106.4C49 R52 F56 H85C49-E54 HydrophobicContact CB-CB 4.4Å; C49-E54 PolarHBondContact O-N 2.88Å; R52-E54 HydrophobicContact CB-CB 4.47Å; R52-E54 HydrophobicContact CB-CG 3.82Å; R52-E54 VanDerWaalsContact CD-OE1 3.29Å; R52-E54 WeakPolarHBondContact CD-OE1 3.4Å; R52-E54 IonicContact NH1-OE1 3.63Å; R52-E54 PolarHBondContact O-N 2.94Å; E54-F56 PolarHBondContact O-N 2.92Å; E54-H85 IonicContact OE2-CE1 2.74Å
55D51.8Low64.4Low116 Ų11688.5 Ų88.562%0.6247%0.466SS*.  trans-57115.5176-108.8-23.7000108.9G53 D57 V58G53-D55 PolarHBondContact O-N 3.44Å; D55-D57 PolarHBondContact O-N 3.22Å; D55-D57 VanDerWaalsContact O-N 3.16Å; D55-V58 HydrophobicContact CB-CB 4.36Å; D55-V58 HydrophobicContact CB-CG2 3.63Å; D55-V58 PolarHBondContact O-N 3.05Å; D55-V58 VanDerWaalsContact O-N 3.14Å
56F48.6Very low63.2Low55 Ų5589.5 Ų89.524%0.24147%0.472CS..G310 helixtrans-59.4-28.1178-155.9-106.2000111.3C46 C49 E54 V58 C80C46-F56 HydrophobicContact CB-CD2 4.33Å; C46-F56 HydrophobicContact CB-CE2 3.87Å; C49-F56 HydrophobicContact CB-CD2 4.14Å; E54-F56 PolarHBondContact O-N 2.92Å; F56-V58 PolarHBondContact O-N 2.98Å; F56-C80 HydrophobicContact CE2-CB 3.57Å; F56-C80 HydrophobicContact CZ-CB 3.91Å
57D47.8Very low62.2Low132 Ų13290.8 Ų90.871%0.70649%0.485SS*.G310 helixtrans-76.4-15.6-179.1-80.5-19.6000114.4D55 C59D55-D57 PolarHBondContact O-N 3.22Å; D55-D57 VanDerWaalsContact O-N 3.16Å; D57-C59 PolarHBondContact O-N 3.47Å
58V44.4Very low62.2Low114 Ų11488.1 Ų88.169%0.69147%0.469SS*.G310 helixtrans-77.5-9.2180179.80000112D55 F56 N60D55-V58 HydrophobicContact CB-CB 4.36Å; D55-V58 HydrophobicContact CB-CG2 3.63Å; D55-V58 PolarHBondContact O-N 3.05Å; D55-V58 VanDerWaalsContact O-N 3.14Å; F56-V58 PolarHBondContact O-N 2.98Å; V58-N60 PolarHBondContact O-N 3.23Å; V58-N60 VanDerWaalsContact O-N 3.11Å
59C40.8Very low62.4Low20 Ų2086 Ų8614%0.13546%0.458CS..G310 helixtrans-72.1-1.2-177-110.70000116.1D57 K61 L63 Y83D57-C59 PolarHBondContact O-N 3.47Å; C59-K61 PolarHBondContact O-N 3.32Å; C59-L63 HydrophobicContact CB-CD1 3.86Å; C59-L63 WeakPolarHBondContact O-CD1 3.3Å; C59-Y83 WeakPolarHBondContact SG-CE2 3.48Å; C59-Y83 PolarHBondContact SG-OH 3.44Å
60N42.7Very low63Low102 Ų10285.9 Ų85.955%0.54546%0.457SS..  trans-91.47.1-143.6-145.9-2.2000118.1V58 P66V58-N60 PolarHBondContact O-N 3.23Å; V58-N60 VanDerWaalsContact O-N 3.11Å; N60-P66 WeakPolarHBondContact OD1-CB 3.41Å
61K45Very low63.7Low191 Ų19178.4 Ų78.483%0.8342%0.424SS*.SBendtrans-98-31-166.9-69.6-166177.4-178.50117.3C59C59-K61 PolarHBondContact O-N 3.32Å
62D45.8Very low64.5Low160 Ų16073.3 Ų73.386%0.85639%0.394SS*.SBendtrans-140.914.9-171.3-66.1-60.1000114.6
63L54.3Low65.3Low64 Ų6466.7 Ų66.734%0.33537%0.369SS..  trans-84143.8-177.7-67167.4000111.4C59 R65 P66 D82C59-L63 HydrophobicContact CB-CD1 3.86Å; C59-L63 WeakPolarHBondContact O-CD1 3.3Å; L63-R65 PolarHBondContact O-N 2.9Å; L63-P66 HydrophobicContact CB-CB 4.33Å; L63-P66 WeakPolarHBondContact O-CD 3.19Å; L63-D82 HydrophobicContact CD1-CB 3.84Å
64I59.4Low66.6Low152 Ų15265.9 Ų65.978%0.77935%0.347SS*.SBendtrans-62.8-31.5177.7-58.4172.3000110.6
65R66Low68.2Low54 Ų5465.6 Ų65.620%0.20435%0.351CS..SBendtrans-142.668.9-177.6-70.8172.8166.4-100.6-1.4110.2L63 G67 C68 W81 E106L63-R65 PolarHBondContact O-N 2.9Å; R65-G67 PolarHBondContact O-N 2.81Å; R65-C68 HydrophobicContact CB-CB 3.94Å; R65-C68 WeakPolarHBondContact O-CB 3.44Å; R65-C68 PolarHBondContact O-N 3.25Å; R65-W81 HydrophobicContact CB-CE3 4.15Å; R65-W81 HydrophobicContact CB-CZ3 4.02Å; R65-E106 IonicContact CZ-OE1 3.28Å; R65-E106 IonicContact CZ-OE2 2.83Å; R65-E106 IonicContact NH1-OE1 3.44Å; R65-E106 IonicContact NH1-OE2 3.37Å; R65-E106 PolarHBondContact NH1-OE2 2.7Å; R65-E106 IonicContact NH2-OE1 2.6Å; R65-E106 PolarHBondContact NH2-OE1 3.11Å; R65-E106 IonicContact NH2-OE2 3.59Å; R65-E106 PolarHBondContact NH2-OE2 2.75Å
66P63.3Low70.1Confident64 Ų6463.9 Ų63.942%0.41634%0.341SS..THydrogen-bonded Turntrans-59.9136-174.826-32.3000110.8N60 L63 C68N60-P66 WeakPolarHBondContact OD1-CB 3.41Å; L63-P66 HydrophobicContact CB-CB 4.33Å; L63-P66 WeakPolarHBondContact O-CD 3.19Å; P66-C68 PolarHBondContact O-N 2.87Å
67G69.3Low72.3Confident28 Ų2863.8 Ų63.829%0.28934%0.341SS..THydrogen-bonded Turntrans71.519.7177.200000113.5R65 L69 D82R65-G67 PolarHBondContact O-N 2.81Å; G67-L69 PolarHBondContact O-N 2.82Å; G67-D82 PolarHBondContact N-OD2 3.16Å; G67-D82 VanDerWaalsContact N-OD2 3.07Å
68C87.3Confident74.5Confident6 Ų658.9 Ų58.94%0.04131%0.314CS..  trans-6993.8179.4-176.50000110.7R65 P66 W81R65-C68 HydrophobicContact CB-CB 3.94Å; R65-C68 WeakPolarHBondContact O-CB 3.44Å; R65-C68 PolarHBondContact O-N 3.25Å; P66-C68 PolarHBondContact O-N 2.87Å; C68-W81 HydrophobicContact CB-CB 3.95Å; C68-W81 HydrophobicContact CB-CE3 4.49Å; C68-W81 PolarHBondContact O-N 2.8Å
69L92Very high76.8Confident7 Ų753.4 Ų53.44%0.03728%0.281CS..EExtended strand (participates in β ladder)trans-87.2129172.7-171.669.1000110L44 C46 G67 F78 C101 T102L44-L69 HydrophobicContact CB-CD2 3.56Å; C46-L69 HydrophobicContact CB-CD1 4Å; G67-L69 PolarHBondContact O-N 2.82Å; L69-F78 HydrophobicContact CD1-CB 4.2Å; L69-F78 HydrophobicContact CD2-CB 4.42Å; L69-F78 HydrophobicContact CD2-CD1 4.12Å; L69-F78 HydrophobicContact CG-CB 4.47Å; L69-F78 HydrophobicContact CG-CD1 4.42Å; L69-C101 WeakPolarHBondContact O-CA 3.4Å; L69-T102 HydrophobicContact CD2-CG2 4.41Å; L69-T102 HydrophobicContact CG-CG2 4.4Å; L69-T102 PolarHBondContact O-N 3.24Å; L69-T102 PolarHBondContact O-OG1 3.49Å
70L95.3Very high79.2Confident0 Ų052.5 Ų52.50%028%0.275CS..EExtended strand (participates in β ladder)trans-110.2130.8179.7-63.7171.7000109.3F78 A79 W81 I86 V100 C101 F108 F115L70-F78 WeakPolarHBondContact O-CA 3.47Å; L70-A79 WeakPolarHBondContact CA-O 3.42Å; L70-A79 WeakPolarHBondContact CB-O 3.32Å; L70-A79 PolarHBondContact N-O 3.24Å; L70-A79 PolarHBondContact O-N 3.48Å; L70-W81 HydrophobicContact CD1-CB 3.81Å; L70-W81 HydrophobicContact CD1-CG 4.28Å; L70-W81 HydrophobicContact CG-CB 4.26Å; L70-I86 HydrophobicContact CB-CD1 4.38Å; L70-I86 HydrophobicContact CB-CG1 4.39Å; L70-I86 HydrophobicContact CD1-CB 3.96Å; L70-I86 HydrophobicContact CD1-CG1 3.95Å; L70-I86 HydrophobicContact CD1-CG2 3.75Å; L70-V100 WeakPolarHBondContact CA-O 3.49Å; L70-C101 HydrophobicContact CD2-CB 4.1Å; L70-F108 HydrophobicContact CD1-CB 4.28Å; L70-F108 HydrophobicContact CD1-CD1 3.61Å; L70-F108 HydrophobicContact CD1-CE1 4.13Å; L70-F108 HydrophobicContact CD1-CG 3.97Å; L70-F108 HydrophobicContact CD2-CB 3.89Å; L70-F108 HydrophobicContact CD2-CG 4.4Å; L70-F115 HydrophobicContact CD2-CE1 4.26Å; L70-F115 HydrophobicContact CD2-CZ 4.41Å
71A96.8Very high81.3Confident0 Ų050.5 Ų50.50%026%0.259CS..EExtended strand (participates in β ladder)trans-97.3118.9168.400000109I25 A73 H77 F78 S99 V100 T102I25-A71 HydrophobicContact CG2-CB 4.1Å; A71-A73 PolarHBondContact O-N 3.03Å; A71-H77 CarbonylContact C-O 3.55Å; A71-H77 WeakPolarHBondContact CA-O 3.25Å; A71-F78 HydrophobicContact CB-CD1 3.9Å; A71-F78 HydrophobicContact CB-CE1 3.68Å; A71-S99 CarbonylContact O-C 3.45Å; A71-S99 WeakPolarHBondContact O-CA 3.45Å; A71-S99 WeakPolarHBondContact O-CB 3.49Å; A71-V100 PolarHBondContact N-O 2.69Å; A71-V100 PolarHBondContact O-N 3.21Å; A71-T102 HydrophobicContact CB-CG2 3.99Å
72C96.9Very high83.1Confident1 Ų142.6 Ų42.61%0.00723%0.226CC..EExtended strand (participates in β ladder)trans-58.4125.3175178.80000110H74 I76 H77 H89C72-H74 PolarHBondContact O-N 3.25Å; C72-I76 VanDerWaalsContact O-CA 3.25Å; C72-I76 WeakPolarHBondContact O-CA 3.49Å; C72-I76 PolarHBondContact O-N 3.36Å; C72-H77 HydrophobicContact CB-CB 4.13Å; C72-H77 PolarHBondContact N-O 2.94Å; C72-H89 PolarHBondContact SG-NE2 2.85Å; C72-H89 VanDerWaalsContact SG-NE2 3.36Å
73A96.3Very high84.8Confident0 Ų039.8 Ų39.80%020%0.204CC..THydrogen-bonded Turntrans-71.5-14.9-176.600000113.1F12 I25 A71 L98 V100F12-A73 HydrophobicContact CE1-CB 4.2Å; F12-A73 HydrophobicContact CE2-CB 4.01Å; F12-A73 HydrophobicContact CZ-CB 3.49Å; F12-A73 VanDerWaalsContact CZ-CB 3.49Å; I25-A73 HydrophobicContact CD1-CB 4.35Å; A71-A73 PolarHBondContact O-N 3.03Å; A73-L98 HydrophobicContact CB-CB 4.19Å; A73-L98 WeakPolarHBondContact CB-O 3.15Å; A73-L98 PolarHBondContact N-O 3.37Å; A73-V100 HydrophobicContact CB-CG2 4.5Å
74H94.8Very high86.4Confident50 Ų5044.1 Ų44.123%0.23122%0.216CC..THydrogen-bonded Turntrans-89.8-34.1-178.3-58.977.3000112.4F12 C72 D95 H96 Y97 L98F12-H74 AromaticContact CD2-CD2 4Å; F12-H74 AromaticContact CD2-CE1 3.53Å; F12-H74 AromaticContact CD2-NE2 3.25Å; F12-H74 WeakPolarHBondContact CD2-NE2 3.45Å; F12-H74 AromaticContact CE2-CD2 3.75Å; F12-H74 AromaticContact CE2-CE1 3.51Å; F12-H74 AromaticContact CE2-ND1 3.89Å; F12-H74 AromaticContact CE2-NE2 3.41Å; F12-H74 WeakPolarHBondContact CE2-NE2 3.31Å; C72-H74 PolarHBondContact O-N 3.25Å; H74-D95 PolarHBondContact NE2-O 3.26Å; H74-H96 HydrophobicContact CB-CB 4.35Å; H74-H96 VanDerWaalsContact CB-CD2 3.45Å; H74-H96 WeakPolarHBondContact CB-CD2 3.16Å; H74-H96 AromaticContact CG-CD2 3.84Å; H74-Y97 PolarHBondContact CE1-N 3.29Å; H74-Y97 AromaticContact NE2-CZ 3.96Å; H74-L98 PolarHBondContact CE1-N 3.31Å; H74-L98 PolarHBondContact ND1-O 2.8Å
75C94.1Very high87.9Confident61 Ų6137.1 Ų37.141%0.41218%0.18SC..THydrogen-bonded Turntrans-140.63.5-173.7690000115.9H77 H89 H96C75-H77 PolarHBondContact O-N 3.38Å; C75-H77 VanDerWaalsContact SG-CB 3.54Å; C75-H89 VanDerWaalsContact SG-CE1 3.54Å; C75-H96 VanDerWaalsContact SG-CE1 3.5Å
76I91.7Very high89.2Confident80 Ų8034.6 Ų34.641%0.4117%0.171SC..  trans60.826-178.9-41.1179000112.5I25 I29 C72 F78I25-I76 HydrophobicContact CD1-CG1 4.41Å; I25-I76 HydrophobicContact CG1-CG1 4.4Å; I29-I76 HydrophobicContact CD1-CG2 3.68Å; C72-I76 VanDerWaalsContact O-CA 3.25Å; C72-I76 WeakPolarHBondContact O-CA 3.49Å; C72-I76 PolarHBondContact O-N 3.36Å; I76-F78 HydrophobicContact CG2-CE2 4.2Å; I76-F78 HydrophobicContact CG2-CZ 3.92Å
77H94.6Very high90.6Very high53 Ų5333.9 Ų33.925%0.24516%0.16CC..  trans-70.6132.5170.2-178.279.8000110.9T47 A71 C72 C75 H89T47-H77 PolarHBondContact OG1-CE1 3.27Å; T47-H77 VanDerWaalsContact OG1-CE1 3.3Å; A71-H77 CarbonylContact C-O 3.55Å; A71-H77 WeakPolarHBondContact CA-O 3.25Å; C72-H77 HydrophobicContact CB-CB 4.13Å; C72-H77 PolarHBondContact N-O 2.94Å; C75-H77 PolarHBondContact O-N 3.38Å; C75-H77 VanDerWaalsContact SG-CB 3.54Å; H77-H89 AromaticContact CD2-CG 3.69Å; H77-H89 AromaticContact CD2-ND1 3.63Å; H77-H89 AromaticContact CG-ND1 3.79Å
78F94.8Very high91.8Very high29 Ų2935.6 Ų35.613%0.12716%0.162CC..EExtended strand (participates in β ladder)trans-97.6118.7179.3-61.8-77.5000111.7I29 L44 C45 T47 L69 L70 A71 I76 T102I29-F78 HydrophobicContact CD1-CE1 4.42Å; I29-F78 HydrophobicContact CD1-CZ 4.05Å; I29-F78 HydrophobicContact CG2-CE1 4.08Å; I29-F78 HydrophobicContact CG2-CZ 4.4Å; L44-F78 HydrophobicContact CD1-CD1 4.25Å; L44-F78 HydrophobicContact CD1-CE1 3.59Å; L44-F78 HydrophobicContact CD1-CZ 3.96Å; L44-F78 HydrophobicContact CD2-CD1 4.4Å; L44-F78 HydrophobicContact CD2-CD2 4.26Å; L44-F78 HydrophobicContact CD2-CE1 3.85Å; L44-F78 HydrophobicContact CD2-CE2 3.69Å; L44-F78 HydrophobicContact CD2-CZ 3.45Å; L44-F78 VanDerWaalsContact CD2-CZ 3.45Å; L44-F78 HydrophobicContact CG-CE1 4.24Å; L44-F78 HydrophobicContact CG-CZ 4.3Å; C45-F78 WeakPolarHBondContact O-CB 3.29Å; T47-F78 PolarHBondContact N-O 3.45Å; T47-F78 PolarHBondContact OG1-O 3.23Å; L69-F78 HydrophobicContact CD1-CB 4.2Å; L69-F78 HydrophobicContact CD2-CB 4.42Å; L69-F78 HydrophobicContact CD2-CD1 4.12Å; L69-F78 HydrophobicContact CG-CB 4.47Å; L69-F78 HydrophobicContact CG-CD1 4.42Å; L70-F78 WeakPolarHBondContact O-CA 3.47Å; A71-F78 HydrophobicContact CB-CD1 3.9Å; A71-F78 HydrophobicContact CB-CE1 3.68Å; I76-F78 HydrophobicContact CG2-CE2 4.2Å; I76-F78 HydrophobicContact CG2-CZ 3.92Å; F78-T102 HydrophobicContact CD1-CG2 4.15Å; F78-T102 HydrophobicContact CE1-CG2 4Å
79A92.9Very high92.1Very high0 Ų035.8 Ų35.80%016%0.163CC..EExtended strand (participates in β ladder)trans-138.9145.4178.200000111L70 H85 I86L70-A79 WeakPolarHBondContact CA-O 3.42Å; L70-A79 WeakPolarHBondContact CB-O 3.32Å; L70-A79 PolarHBondContact N-O 3.24Å; L70-A79 PolarHBondContact O-N 3.48Å; A79-H85 HydrophobicContact CB-CB 4.16Å; A79-I86 HydrophobicContact CB-CB 4.05Å; A79-I86 HydrophobicContact CB-CD1 3.96Å
80C90.1Very high92.1Very high0 Ų036.1 Ų36.10%017%0.168CC..EExtended strand (participates in β ladder)trans-82.6148.1178.861.70000112.1C46 F56 H85 I86C46-C80 HydrophobicContact CB-CB 3.92Å; C46-C80 PolarHBondContact SG-N 3.15Å; C46-C80 VanDerWaalsContact SG-N 3.42Å; C46-C80 VanDerWaalsContact SG-SG 3.68Å; F56-C80 HydrophobicContact CE2-CB 3.57Å; F56-C80 HydrophobicContact CZ-CB 3.91Å; C80-H85 PolarHBondContact O-N 3.25Å; C80-H85 PolarHBondContact SG-ND1 3.16Å; C80-I86 PolarHBondContact O-N 2.81Å
81W88Confident92Very high60 Ų6042.9 Ų42.923%0.22720%0.2CC..THydrogen-bonded Turntrans-76.2-40.9173.8-177.677.9000111.4R65 C68 L70 Y83 R84 F108R65-W81 HydrophobicContact CB-CE3 4.15Å; R65-W81 HydrophobicContact CB-CZ3 4.02Å; C68-W81 HydrophobicContact CB-CB 3.95Å; C68-W81 HydrophobicContact CB-CE3 4.49Å; C68-W81 PolarHBondContact O-N 2.8Å; L70-W81 HydrophobicContact CD1-CB 3.81Å; L70-W81 HydrophobicContact CD1-CG 4.28Å; L70-W81 HydrophobicContact CG-CB 4.26Å; W81-Y83 PolarHBondContact O-N 2.74Å; W81-R84 WeakPolarHBondContact O-CA 3.4Å; W81-R84 PolarHBondContact O-N 3.38Å; W81-F108 AromaticContact CD1-CE2 3.73Å; W81-F108 AromaticContact CD1-CZ 3.75Å; W81-F108 AromaticContact NE1-CE2 3.43Å; W81-F108 AromaticContact NE1-CZ 3.72Å
82D80.9Confident91.9Very high25 Ų2548.9 Ų48.913%0.13423%0.232CC..THydrogen-bonded Turntrans-57.8-49.5-171.9-64.8-39.9000113.5L63 G67 R84L63-D82 HydrophobicContact CD1-CB 3.84Å; G67-D82 PolarHBondContact N-OD2 3.16Å; G67-D82 VanDerWaalsContact N-OD2 3.07Å; D82-R84 PolarHBondContact O-N 3.29Å
83Y81.9Confident91.7Very high101 Ų10152.6 Ų52.640%0.39625%0.249SC..THydrogen-bonded Turntrans-87.712.2175.4-64-67.7000113.6C59 W81 H85C59-Y83 WeakPolarHBondContact SG-CE2 3.48Å; C59-Y83 PolarHBondContact SG-OH 3.44Å; W81-Y83 PolarHBondContact O-N 2.74Å; Y83-H85 PolarHBondContact O-N 3.03Å
84R88.2Confident91.6Very high155 Ų15557.8 Ų57.859%0.58528%0.283SS*.THydrogen-bonded Turntrans55.522.6-178-58.7-176.269.1-170.30.3113.6W81 D82 I86 Y87W81-R84 WeakPolarHBondContact O-CA 3.4Å; W81-R84 PolarHBondContact O-N 3.38Å; D82-R84 PolarHBondContact O-N 3.29Å; R84-I86 PolarHBondContact O-N 2.84Å; R84-I86 VanDerWaalsContact O-N 3.16Å; R84-Y87 HydrophobicContact CB-CD2 3.66Å; R84-Y87 HydrophobicContact CB-CE2 4.34Å; R84-Y87 HydrophobicContact CG-CD2 4.05Å; R84-Y87 HydrophobicContact CG-CE2 4.23Å; R84-Y87 WeakPolarHBondContact O-CB 3.24Å; R84-Y87 PolarHBondContact O-N 3.42Å
85H91.4Very high91.5Very high5 Ų560.3 Ų60.32%0.02330%0.298CS..Hα-helixtrans-60.7-26.2177.5-75.9154.6000112.3C46 L48 C49 E54 A79 C80 Y83 Y87 L88 H89C46-H85 PolarHBondContact SG-ND1 3.22Å; C46-H85 VanDerWaalsContact SG-ND1 3.37Å; L48-H85 HydrophobicContact CD1-CB 3.99Å; C49-H85 VanDerWaalsContact SG-CE1 3.5Å; C49-H85 PolarHBondContact SG-ND1 3.47Å; C49-H85 VanDerWaalsContact SG-ND1 3.42Å; E54-H85 IonicContact OE2-CE1 2.74Å; A79-H85 HydrophobicContact CB-CB 4.16Å; C80-H85 PolarHBondContact O-N 3.25Å; C80-H85 PolarHBondContact SG-ND1 3.16Å; Y83-H85 PolarHBondContact O-N 3.03Å; H85-Y87 VanDerWaalsContact C-N 3.26Å; H85-Y87 PolarHBondContact O-N 3.27Å; H85-L88 PolarHBondContact O-N 2.85Å; H85-H89 PolarHBondContact O-N 2.86Å
86I92.5Very high91.5Very high1 Ų158.7 Ų58.71%0.00528%0.284CS..Hα-helixtrans-65.1-29.6172.7-16859.5000113.2L70 A79 C80 R84 H89 G90 S99 F108 T110L70-I86 HydrophobicContact CB-CD1 4.38Å; L70-I86 HydrophobicContact CB-CG1 4.39Å; L70-I86 HydrophobicContact CD1-CB 3.96Å; L70-I86 HydrophobicContact CD1-CG1 3.95Å; L70-I86 HydrophobicContact CD1-CG2 3.75Å; A79-I86 HydrophobicContact CB-CB 4.05Å; A79-I86 HydrophobicContact CB-CD1 3.96Å; C80-I86 PolarHBondContact O-N 2.81Å; R84-I86 PolarHBondContact O-N 2.84Å; R84-I86 VanDerWaalsContact O-N 3.16Å; I86-H89 PolarHBondContact O-N 3.27Å; I86-G90 PolarHBondContact O-N 2.83Å; I86-S99 VanDerWaalsContact CD1-OG 3.32Å; I86-S99 WeakPolarHBondContact CD1-OG 3.39Å; I86-F108 HydrophobicContact CG2-CE1 3.95Å; I86-T110 HydrophobicContact CG1-CG2 4.05Å; I86-T110 HydrophobicContact CG2-CG2 4.5Å
87Y93.9Very high91.6Very high49 Ų4956.5 Ų56.519%0.19227%0.271CS..Hα-helixtrans-71.7-39.9176.7-69.8-87.4000110.9R84 H85 H89 G90 E91 F108 T110 G113R84-Y87 HydrophobicContact CB-CD2 3.66Å; R84-Y87 HydrophobicContact CB-CE2 4.34Å; R84-Y87 HydrophobicContact CG-CD2 4.05Å; R84-Y87 HydrophobicContact CG-CE2 4.23Å; R84-Y87 WeakPolarHBondContact O-CB 3.24Å; R84-Y87 PolarHBondContact O-N 3.42Å; H85-Y87 VanDerWaalsContact C-N 3.26Å; H85-Y87 PolarHBondContact O-N 3.27Å; Y87-H89 VanDerWaalsContact C-N 3.28Å; Y87-H89 PolarHBondContact O-N 2.89Å; Y87-G90 CarbonylContact O-C 3.47Å; Y87-G90 WeakPolarHBondContact O-CA 3.4Å; Y87-G90 PolarHBondContact O-N 2.81Å; Y87-E91 PolarHBondContact O-N 3.3Å; Y87-F108 HydrophobicContact CE2-CZ 4.24Å; Y87-F108 AromaticContact CZ-CZ 3.95Å; Y87-T110 HydrophobicContact CD1-CG2 4.45Å; Y87-G113 WeakPolarHBondContact OH-CA 3.29Å
88L93.1Very high91.8Very high64 Ų6454 Ų5434%0.33526%0.259SS..Hα-helixtrans-59.1-40.8174.2-59.1-178.6000111.5L48 H85 G90 E91 D92L48-L88 HydrophobicContact CD1-CB 4.5Å; L48-L88 HydrophobicContact CD1-CD1 3.87Å; H85-L88 PolarHBondContact O-N 2.85Å; L88-G90 VanDerWaalsContact C-N 3.3Å; L88-G90 PolarHBondContact O-N 3.32Å; L88-E91 WeakPolarHBondContact O-CB 3.48Å; L88-E91 PolarHBondContact O-N 2.94Å; L88-E91 VanDerWaalsContact O-N 3.16Å; L88-D92 PolarHBondContact O-N 2.9Å; L88-D92 VanDerWaalsContact O-N 3.15Å
89H93.7Very high91.9Very high10 Ų1052.7 Ų52.75%0.04625%0.254CS..Hα-helixtrans-59.2-40.5173.7174.963.3000112.7C72 C75 H77 H85 I86 Y87 D92 H93 H96C72-H89 PolarHBondContact SG-NE2 2.85Å; C72-H89 VanDerWaalsContact SG-NE2 3.36Å; C75-H89 VanDerWaalsContact SG-CE1 3.54Å; H77-H89 AromaticContact CD2-CG 3.69Å; H77-H89 AromaticContact CD2-ND1 3.63Å; H77-H89 AromaticContact CG-ND1 3.79Å; H85-H89 PolarHBondContact O-N 2.86Å; I86-H89 PolarHBondContact O-N 3.27Å; Y87-H89 VanDerWaalsContact C-N 3.28Å; Y87-H89 PolarHBondContact O-N 2.89Å; H89-D92 PolarHBondContact O-N 2.9Å; H89-H93 AromaticContact CE1-ND1 3.51Å; H89-H93 AromaticContact ND1-ND1 3.61Å; H89-H93 PolarHBondContact O-N 3.41Å; H89-H93 PolarHBondContact O-ND1 2.95Å; H89-H96 AromaticContact CE1-ND1 3.47Å; H89-H96 PolarHBondContact CE1-ND1 2.97Å; H89-H96 AromaticContact NE2-CG 3.85Å; H89-H96 AromaticContact NE2-ND1 3.04Å; H89-H96 PolarHBondContact NE2-ND1 3.3Å
90G92.4Very high92Very high15 Ų1552.7 Ų52.716%0.15525%0.254CS..Hα-helixtrans-73.2-22.3176.500000114.1I86 Y87 L88 H93 P94I86-G90 PolarHBondContact O-N 2.83Å; Y87-G90 CarbonylContact O-C 3.47Å; Y87-G90 WeakPolarHBondContact O-CA 3.4Å; Y87-G90 PolarHBondContact O-N 2.81Å; L88-G90 VanDerWaalsContact C-N 3.3Å; L88-G90 PolarHBondContact O-N 3.32Å; G90-H93 CarbonylContact O-C 3.58Å; G90-P94 VanDerWaalsContact O-CA 3.31Å; G90-P94 WeakPolarHBondContact O-CA 3.43Å
91E93.7Very high92.2Very high141 Ų14152.8 Ų52.866%0.65925%0.254SS*.Hα-helixtrans-71-41.6170.5-70.4176.6167.300111Y87 L88 H93Y87-E91 PolarHBondContact O-N 3.3Å; L88-E91 WeakPolarHBondContact O-CB 3.48Å; L88-E91 PolarHBondContact O-N 2.94Å; L88-E91 VanDerWaalsContact O-N 3.16Å; E91-H93 VanDerWaalsContact C-N 3.34Å
92D93.3Very high92.3Very high126 Ų12650 Ų5067%0.67424%0.244SC*.Hα-helixtrans-70.4-29.8175.1-69.6-29000112.6L88 H89L88-D92 PolarHBondContact O-N 2.9Å; L88-D92 VanDerWaalsContact O-N 3.15Å; H89-D92 PolarHBondContact O-N 2.9Å
93H94.6Very high92.5Very high80 Ų8052.4 Ų52.437%0.3726%0.255SS..  trans-132.382.7-178.9-52.183.8000110.5H89 G90 E91 D95 H96H89-H93 AromaticContact CE1-ND1 3.51Å; H89-H93 AromaticContact ND1-ND1 3.61Å; H89-H93 PolarHBondContact O-N 3.41Å; H89-H93 PolarHBondContact O-ND1 2.95Å; G90-H93 CarbonylContact O-C 3.58Å; E91-H93 VanDerWaalsContact C-N 3.34Å; H93-D95 PolarHBondContact O-N 3.16Å; H93-D95 VanDerWaalsContact O-N 3.1Å; H93-H96 HydrophobicContact CB-CB 3.93Å; H93-H96 AromaticContact CG-ND1 3.93Å; H93-H96 WeakPolarHBondContact O-CB 3.36Å; H93-H96 PolarHBondContact O-N 3.06Å
94P92.9Very high92.8Very high109 Ų10954 Ų5471%0.70826%0.26SS*.THydrogen-bonded Turntrans-62.5-19.8-173.9-26.436000115.4G90 H96G90-P94 VanDerWaalsContact O-CA 3.31Å; G90-P94 WeakPolarHBondContact O-CA 3.43Å; P94-H96 VanDerWaalsContact C-N 3.31Å
95D92.2Very high92.9Very high103 Ų10346.7 Ų46.755%0.55123%0.232SC*.THydrogen-bonded Turntrans-82-7.917462.9-37.6000113.2H74 H93 Y97H74-D95 PolarHBondContact NE2-O 3.26Å; H93-D95 PolarHBondContact O-N 3.16Å; H93-D95 VanDerWaalsContact O-N 3.1Å; D95-Y97 WeakPolarHBondContact O-CD1 3.29Å; D95-Y97 VanDerWaalsContact O-CE1 3.22Å; D95-Y97 WeakPolarHBondContact O-CE1 3.41Å; D95-Y97 PolarHBondContact O-N 3.35Å
96H94.8Very high93Very high26 Ų2649.2 Ų49.212%0.1224%0.244CC..  trans-95.590.2176.7-68.5-168000111.5H74 C75 H89 H93 P94H74-H96 HydrophobicContact CB-CB 4.35Å; H74-H96 VanDerWaalsContact CB-CD2 3.45Å; H74-H96 WeakPolarHBondContact CB-CD2 3.16Å; H74-H96 AromaticContact CG-CD2 3.84Å; C75-H96 VanDerWaalsContact SG-CE1 3.5Å; H89-H96 AromaticContact CE1-ND1 3.47Å; H89-H96 PolarHBondContact CE1-ND1 2.97Å; H89-H96 AromaticContact NE2-CG 3.85Å; H89-H96 AromaticContact NE2-ND1 3.04Å; H89-H96 PolarHBondContact NE2-ND1 3.3Å; H93-H96 HydrophobicContact CB-CB 3.93Å; H93-H96 AromaticContact CG-ND1 3.93Å; H93-H96 WeakPolarHBondContact O-CB 3.36Å; H93-H96 PolarHBondContact O-N 3.06Å; P94-H96 VanDerWaalsContact C-N 3.31Å
97Y94.8Very high93.1Very high34 Ų3449.5 Ų49.513%0.13325%0.246CC..  trans-116.6-0.1-173.452.7-100.3000115.5H8 F12 H74 D95 C109 T110H8-Y97 HydrophobicContact CB-CD2 3.57Å; H8-Y97 HydrophobicContact CB-CE2 3.72Å; H8-Y97 HydrophobicContact CB-CG 4.42Å; H8-Y97 VanDerWaalsContact O-CE2 3.31Å; H8-Y97 WeakPolarHBondContact O-CE2 3.38Å; F12-Y97 HydrophobicContact CB-CE2 4.15Å; H74-Y97 PolarHBondContact CE1-N 3.29Å; H74-Y97 AromaticContact NE2-CZ 3.96Å; D95-Y97 WeakPolarHBondContact O-CD1 3.29Å; D95-Y97 VanDerWaalsContact O-CE1 3.22Å; D95-Y97 WeakPolarHBondContact O-CE1 3.41Å; D95-Y97 PolarHBondContact O-N 3.35Å; Y97-C109 VanDerWaalsContact O-CA 3.29Å; Y97-C109 WeakPolarHBondContact O-CA 3.22Å; Y97-C109 PolarHBondContact O-SG 3.38Å; Y97-T110 VanDerWaalsContact CA-OG1 3.31Å; Y97-T110 WeakPolarHBondContact CA-OG1 3.39Å; Y97-T110 PolarHBondContact O-N 3.08Å; Y97-T110 VanDerWaalsContact O-N 3.09Å; Y97-T110 PolarHBondContact O-OG1 3.4Å
98L97.1Very high93.2Very high0 Ų047.1 Ų47.10%024%0.236CC..EExtended strand (participates in β ladder)trans-123.6140176.3-70.9-176000111.8F12 A73 H74 L107 F108 C109 V116F12-L98 HydrophobicContact CB-CD1 3.31Å; F12-L98 HydrophobicContact CB-CG 4.38Å; F12-L98 HydrophobicContact CD1-CD1 3.56Å; F12-L98 HydrophobicContact CD2-CD1 3.92Å; F12-L98 HydrophobicContact CE1-CD1 4.29Å; F12-L98 HydrophobicContact CG-CD1 3.34Å; F12-L98 HydrophobicContact CG-CG 4.39Å; A73-L98 HydrophobicContact CB-CB 4.19Å; A73-L98 WeakPolarHBondContact CB-O 3.15Å; A73-L98 PolarHBondContact N-O 3.37Å; H74-L98 PolarHBondContact CE1-N 3.31Å; H74-L98 PolarHBondContact ND1-O 2.8Å; L98-L107 HydrophobicContact CB-CD1 4.38Å; L98-L107 HydrophobicContact CD1-CD1 4.33Å; L98-L107 HydrophobicContact CD1-CD2 4.35Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 HydrophobicContact CD2-CD2 4.33Å; L98-L107 HydrophobicContact CD2-CG 4.2Å; L98-F108 WeakPolarHBondContact CA-O 3.42Å; L98-C109 HydrophobicContact CD2-CB 3.69Å; L98-V116 HydrophobicContact CD2-CG2 4.34Å
99S96.9Very high93.3Very high2 Ų244.1 Ų44.11%0.01422%0.22CC..EExtended strand (participates in β ladder)trans-142160.3176.4-56.20000110.8A71 I86 F108A71-S99 CarbonylContact O-C 3.45Å; A71-S99 WeakPolarHBondContact O-CA 3.45Å; A71-S99 WeakPolarHBondContact O-CB 3.49Å; I86-S99 VanDerWaalsContact CD1-OG 3.32Å; I86-S99 WeakPolarHBondContact CD1-OG 3.39Å; S99-F108 PolarHBondContact N-O 3.01Å; S99-F108 PolarHBondContact O-N 3.08Å
100V96.5Very high93.4Very high0 Ų044.9 Ų44.90%023%0.226CC..EExtended strand (participates in β ladder)trans-118.7132.1179.8-175.70000109.3Y22 I25 I26 L70 A71 A73 T102 E106 L107Y22-V100 HydrophobicContact CD2-CG2 3.57Å; Y22-V100 HydrophobicContact CE2-CG1 4.41Å; Y22-V100 HydrophobicContact CE2-CG2 3.62Å; I25-V100 HydrophobicContact CG2-CB 3.85Å; I25-V100 HydrophobicContact CG2-CG1 4.11Å; I25-V100 HydrophobicContact CG2-CG2 4.16Å; I26-V100 HydrophobicContact CD1-CG1 3.67Å; I26-V100 HydrophobicContact CG1-CG1 4.49Å; L70-V100 WeakPolarHBondContact CA-O 3.49Å; A71-V100 PolarHBondContact N-O 2.69Å; A71-V100 PolarHBondContact O-N 3.21Å; A73-V100 HydrophobicContact CB-CG2 4.5Å; V100-T102 PolarHBondContact O-N 2.93Å; V100-E106 CarbonylContact C-O 3.46Å; V100-E106 WeakPolarHBondContact CA-O 3.43Å; V100-L107 HydrophobicContact CG2-CD1 4.23Å
101C93.6Very high93.4Very high2 Ų246.6 Ų46.61%0.01424%0.244CC..EExtended strand (participates in β ladder)trans-65.7120.3171-179.30000110.1L69 L70 E103 R104 G105 E106 F115L69-C101 WeakPolarHBondContact O-CA 3.4Å; L70-C101 HydrophobicContact CD2-CB 4.1Å; C101-E103 PolarHBondContact O-N 3.2Å; C101-R104 HydrophobicContact CB-CB 4.47Å; C101-G105 VanDerWaalsContact O-CA 3.24Å; C101-G105 WeakPolarHBondContact O-CA 3.43Å; C101-G105 PolarHBondContact O-N 2.87Å; C101-E106 HydrophobicContact CB-CB 4.4Å; C101-E106 PolarHBondContact N-O 3.35Å; C101-F115 HydrophobicContact CB-CE1 4.22Å
102T90.6Very high93.4Very high2 Ų242.9 Ų42.91%0.01223%0.233CC..THydrogen-bonded Turntrans-69.5-20.8-177.161.20000112.7I29 A30 K41 L44 L69 A71 F78 V100I29-T102 HydrophobicContact CG2-CG2 3.96Å; A30-T102 VanDerWaalsContact CA-O 3.29Å; A30-T102 WeakPolarHBondContact CA-O 3.41Å; K41-T102 VanDerWaalsContact CE-O 3.3Å; K41-T102 WeakPolarHBondContact CE-O 3.37Å; K41-T102 PolarHBondContact NZ-O 3.46Å; L44-T102 HydrophobicContact CD1-CG2 4.11Å; L69-T102 HydrophobicContact CD2-CG2 4.41Å; L69-T102 HydrophobicContact CG-CG2 4.4Å; L69-T102 PolarHBondContact O-N 3.24Å; L69-T102 PolarHBondContact O-OG1 3.49Å; A71-T102 HydrophobicContact CB-CG2 3.99Å; F78-T102 HydrophobicContact CD1-CG2 4.15Å; F78-T102 HydrophobicContact CE1-CG2 4Å; V100-T102 PolarHBondContact O-N 2.93Å
103E84.7Confident93.3Very high76 Ų7638.6 Ų38.636%0.35522%0.218SC..THydrogen-bonded Turntrans-86.3-44177.1-69.8-51.8138.300112.9K41 C101K41-E103 IonicContact NZ-OE2 2.77Å; K41-E103 PolarHBondContact NZ-OE2 3.07Å; C101-E103 PolarHBondContact O-N 3.2Å
104R87.2Confident93.2Very high135 Ų13539.5 Ų39.551%0.50923%0.226SC..THydrogen-bonded Turntrans-108.3-12.9-169.2-63.2176-176.6-94.4-1.6114.1F31 C101 E106 H125F31-R104 WeakPolarHBondContact CZ-O 3.43Å; C101-R104 HydrophobicContact CB-CB 4.47Å; R104-E106 HydrophobicContact CB-CG 3.94Å; R104-E106 WeakPolarHBondContact CB-OE2 3.49Å; R104-E106 WeakPolarHBondContact CD-OE2 3.49Å; R104-E106 PolarHBondContact O-N 2.73Å; R104-H125 PolarHBondContact O-NE2 2.88Å
105G91.5Very high93.2Very high0 Ų036.1 Ų36.10%020%0.2CC..  trans70.65.9-174.700000114.7I26 C101 H125I26-G105 WeakPolarHBondContact CD1-O 3.42Å; C101-G105 VanDerWaalsContact O-CA 3.24Å; C101-G105 WeakPolarHBondContact O-CA 3.43Å; C101-G105 PolarHBondContact O-N 2.87Å; G105-H125 PolarHBondContact O-CD2 3.09Å
106E92.4Very high93.3Very high58 Ų5832.4 Ų32.427%0.27118%0.181SC..  trans-70.4146.1-179.7-64.9161.9124.600111.4R65 V100 C101 R104 F115R65-E106 IonicContact CZ-OE1 3.28Å; R65-E106 IonicContact CZ-OE2 2.83Å; R65-E106 IonicContact NH1-OE1 3.44Å; R65-E106 IonicContact NH1-OE2 3.37Å; R65-E106 PolarHBondContact NH1-OE2 2.7Å; R65-E106 IonicContact NH2-OE1 2.6Å; R65-E106 PolarHBondContact NH2-OE1 3.11Å; R65-E106 IonicContact NH2-OE2 3.59Å; R65-E106 PolarHBondContact NH2-OE2 2.75Å; V100-E106 CarbonylContact C-O 3.46Å; V100-E106 WeakPolarHBondContact CA-O 3.43Å; C101-E106 HydrophobicContact CB-CB 4.4Å; C101-E106 PolarHBondContact N-O 3.35Å; R104-E106 HydrophobicContact CB-CG 3.94Å; R104-E106 WeakPolarHBondContact CB-OE2 3.49Å; R104-E106 WeakPolarHBondContact CD-OE2 3.49Å; R104-E106 PolarHBondContact O-N 2.73Å; E106-F115 HydrophobicContact CB-CD1 3.76Å; E106-F115 HydrophobicContact CB-CE1 4.14Å
107L95.1Very high93.1Very high7 Ų736.3 Ų36.34%0.03720%0.195CC..EExtended strand (participates in β ladder)trans-89.1127.7-179.3-169.968.9000110.1A9 F13 Y22 L98 V100 F115 V116 H118A9-L107 HydrophobicContact CB-CD2 4.29Å; F13-L107 HydrophobicContact CE2-CD2 3.88Å; F13-L107 HydrophobicContact CZ-CD2 4.47Å; Y22-L107 HydrophobicContact CD2-CD1 4.39Å; Y22-L107 HydrophobicContact CE2-CD1 4.2Å; L98-L107 HydrophobicContact CB-CD1 4.38Å; L98-L107 HydrophobicContact CD1-CD1 4.33Å; L98-L107 HydrophobicContact CD1-CD2 4.35Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 HydrophobicContact CD2-CD2 4.33Å; L98-L107 HydrophobicContact CD2-CG 4.2Å; V100-L107 HydrophobicContact CG2-CD1 4.23Å; L107-F115 CarbonylContact O-C 3.21Å; L107-F115 WeakPolarHBondContact O-CA 3.25Å; L107-V116 HydrophobicContact CB-CG2 4.3Å; L107-V116 HydrophobicContact CD2-CG2 3.85Å; L107-V116 HydrophobicContact CG-CG2 3.91Å; L107-V116 PolarHBondContact O-N 3.06Å; L107-H118 HydrophobicContact CD2-CB 4.38Å
108F95.6Very high93Very high0 Ų035.4 Ų35.40%019%0.193CC..EExtended strand (participates in β ladder)trans-112.8133.4176.8-178.8-103.2000110.4L70 W81 I86 Y87 L98 S99 T110 D114 F115L70-F108 HydrophobicContact CD1-CB 4.28Å; L70-F108 HydrophobicContact CD1-CD1 3.61Å; L70-F108 HydrophobicContact CD1-CE1 4.13Å; L70-F108 HydrophobicContact CD1-CG 3.97Å; L70-F108 HydrophobicContact CD2-CB 3.89Å; L70-F108 HydrophobicContact CD2-CG 4.4Å; W81-F108 AromaticContact CD1-CE2 3.73Å; W81-F108 AromaticContact CD1-CZ 3.75Å; W81-F108 AromaticContact NE1-CE2 3.43Å; W81-F108 AromaticContact NE1-CZ 3.72Å; I86-F108 HydrophobicContact CG2-CE1 3.95Å; Y87-F108 HydrophobicContact CE2-CZ 4.24Å; Y87-F108 AromaticContact CZ-CZ 3.95Å; L98-F108 WeakPolarHBondContact CA-O 3.42Å; S99-F108 PolarHBondContact N-O 3.01Å; S99-F108 PolarHBondContact O-N 3.08Å; F108-T110 HydrophobicContact CD1-CG2 4.27Å; F108-T110 HydrophobicContact CE1-CG2 3.77Å; F108-D114 WeakPolarHBondContact CD2-O 3.32Å; F108-F115 HydrophobicContact CB-CD1 3.96Å; F108-F115 HydrophobicContact CB-CE1 3.86Å; F108-F115 HydrophobicContact CB-CZ 4.4Å; F108-F115 HydrophobicContact CD2-CD1 4.23Å; F108-F115 AromaticContact CD2-CD2 3.94Å; F108-F115 HydrophobicContact CD2-CD2 3.94Å; F108-F115 HydrophobicContact CD2-CE1 4.22Å; F108-F115 AromaticContact CD2-CE2 3.91Å; F108-F115 HydrophobicContact CD2-CE2 3.91Å; F108-F115 HydrophobicContact CD2-CG 4.11Å; F108-F115 HydrophobicContact CD2-CZ 4.05Å; F108-F115 HydrophobicContact CE2-CE2 4.47Å; F108-F115 HydrophobicContact CG-CE1 4.44Å
109C96.6Very high92.7Very high0 Ų038.7 Ų38.70%022%0.216CC..EExtended strand (participates in β ladder)trans-115.9113.8177-177.50000110.8H8 Y97 L98 G111 C112 G113 D114 V116H8-C109 PolarHBondContact ND1-SG 2.95Å; Y97-C109 VanDerWaalsContact O-CA 3.29Å; Y97-C109 WeakPolarHBondContact O-CA 3.22Å; Y97-C109 PolarHBondContact O-SG 3.38Å; L98-C109 HydrophobicContact CD2-CB 3.69Å; C109-G111 VanDerWaalsContact C-N 3.29Å; C109-G111 PolarHBondContact O-N 3.46Å; C109-C112 HydrophobicContact CB-CB 4.06Å; C109-C112 PolarHBondContact O-N 2.86Å; C109-G113 PolarHBondContact O-N 3.41Å; C109-D114 PolarHBondContact N-O 3.39Å; C109-D114 PolarHBondContact O-N 2.93Å; C109-V116 HydrophobicContact CB-CB 4.44Å; C109-V116 HydrophobicContact CB-CG1 3.72Å; C109-V116 HydrophobicContact CB-CG2 3.8Å
110T94.5Very high92.4Very high26 Ų2641 Ų4116%0.1623%0.229CC..THydrogen-bonded Turntrans-64.1-35.3178.451.10000111.9I86 Y87 Y97 F108 C112 G113I86-T110 HydrophobicContact CG1-CG2 4.05Å; I86-T110 HydrophobicContact CG2-CG2 4.5Å; Y87-T110 HydrophobicContact CD1-CG2 4.45Å; Y97-T110 VanDerWaalsContact CA-OG1 3.31Å; Y97-T110 WeakPolarHBondContact CA-OG1 3.39Å; Y97-T110 PolarHBondContact O-N 3.08Å; Y97-T110 VanDerWaalsContact O-N 3.09Å; Y97-T110 PolarHBondContact O-OG1 3.4Å; F108-T110 HydrophobicContact CD1-CG2 4.27Å; F108-T110 HydrophobicContact CE1-CG2 3.77Å; T110-C112 VanDerWaalsContact C-N 3.32Å; T110-C112 PolarHBondContact O-N 3.31Å; T110-G113 PolarHBondContact O-N 2.65Å
111G92.2Very high92.2Very high52 Ų5241.2 Ų41.254%0.53623%0.231SC..THydrogen-bonded Turntrans-67.9-27.2176.900000114.2C109C109-G111 VanDerWaalsContact C-N 3.29Å; C109-G111 PolarHBondContact O-N 3.46Å
112C93.9Very high92.1Very high63 Ų6343.4 Ų43.443%0.42624%0.241SC..THydrogen-bonded Turntrans-91.2-19.3171.8-65.20000112.5C6 C109 T110 D114 V116C6-C112 WeakPolarHBondContact CB-SG 3.23Å; C109-C112 HydrophobicContact CB-CB 4.06Å; C109-C112 PolarHBondContact O-N 2.86Å; T110-C112 VanDerWaalsContact C-N 3.32Å; T110-C112 PolarHBondContact O-N 3.31Å; C112-D114 VanDerWaalsContact C-N 3.26Å; C112-D114 PolarHBondContact O-N 3.38Å; C112-V116 HydrophobicContact CB-CG1 4.14Å
113G91.7Very high92Very high36 Ų3647.5 Ų47.537%0.37127%0.266SS..THydrogen-bonded Turntrans72.216.7-174.600000114.1Y87 C109 T110Y87-G113 WeakPolarHBondContact OH-CA 3.29Å; C109-G113 PolarHBondContact O-N 3.41Å; T110-G113 PolarHBondContact O-N 2.65Å
114D92.1Very high92.4Very high99 Ų9946.2 Ų46.253%0.52926%0.259SS..EExtended strand (participates in β ladder)trans-149.4166.8-172.4-153.6-3.9000112.7F108 C109 C112F108-D114 WeakPolarHBondContact CD2-O 3.32Å; C109-D114 PolarHBondContact N-O 3.39Å; C109-D114 PolarHBondContact O-N 2.93Å; C112-D114 VanDerWaalsContact C-N 3.26Å; C112-D114 PolarHBondContact O-N 3.38Å
115F92.7Very high92.6Very high37 Ų3740.7 Ų40.716%0.16224%0.24CC..EExtended strand (participates in β ladder)trans-70.3130.8166.9-69-89.5000109.8L70 C101 E106 L107 F108L70-F115 HydrophobicContact CD2-CE1 4.26Å; L70-F115 HydrophobicContact CD2-CZ 4.41Å; C101-F115 HydrophobicContact CB-CE1 4.22Å; E106-F115 HydrophobicContact CB-CD1 3.76Å; E106-F115 HydrophobicContact CB-CE1 4.14Å; L107-F115 CarbonylContact O-C 3.21Å; L107-F115 WeakPolarHBondContact O-CA 3.25Å; F108-F115 HydrophobicContact CB-CD1 3.96Å; F108-F115 HydrophobicContact CB-CE1 3.86Å; F108-F115 HydrophobicContact CB-CZ 4.4Å; F108-F115 HydrophobicContact CD2-CD1 4.23Å; F108-F115 AromaticContact CD2-CD2 3.94Å; F108-F115 HydrophobicContact CD2-CD2 3.94Å; F108-F115 HydrophobicContact CD2-CE1 4.22Å; F108-F115 AromaticContact CD2-CE2 3.91Å; F108-F115 HydrophobicContact CD2-CE2 3.91Å; F108-F115 HydrophobicContact CD2-CG 4.11Å; F108-F115 HydrophobicContact CD2-CZ 4.05Å; F108-F115 HydrophobicContact CE2-CE2 4.47Å; F108-F115 HydrophobicContact CG-CE1 4.44Å
116V94.5Very high92.5Very high25 Ų2543.9 Ų43.915%0.15225%0.254CS..EExtended strand (participates in β ladder)trans-120.3151.4-172-64.50000110.8C6 A9 L98 L107 C109 C112C6-V116 HydrophobicContact CB-CG1 4.24Å; A9-V116 HydrophobicContact CB-CG2 4.47Å; L98-V116 HydrophobicContact CD2-CG2 4.34Å; L107-V116 HydrophobicContact CB-CG2 4.3Å; L107-V116 HydrophobicContact CD2-CG2 3.85Å; L107-V116 HydrophobicContact CG-CG2 3.91Å; L107-V116 PolarHBondContact O-N 3.06Å; C109-V116 HydrophobicContact CB-CB 4.44Å; C109-V116 HydrophobicContact CB-CG1 3.72Å; C109-V116 HydrophobicContact CB-CG2 3.8Å; C112-V116 HydrophobicContact CB-CG1 4.14Å
117Y91.2Very high92.4Very high108 Ų10844 Ų4442%0.42426%0.261SS..  trans-96.3144.7176.2176.5-98.2000111.1M4 S5 E122M4-Y117 HydrophobicContact CB-CD1 4.2Å; S5-Y117 VanDerWaalsContact CA-O 3.24Å; S5-Y117 WeakPolarHBondContact CA-O 3.35Å; S5-Y117 VanDerWaalsContact CB-O 3.29Å; S5-Y117 WeakPolarHBondContact CB-O 3.46Å; Y117-E122 HydrophobicContact CE2-CB 3.82Å; Y117-E122 HydrophobicContact CE2-CG 3.86Å
118H93.6Very high92.3Very high16 Ų1643.6 Ų43.67%0.07426%0.26CS..  trans-150.9130.8167.5-169.2-87.3000109.9A9 N10 F13 L107 V120 A121 E122A9-H118 HydrophobicContact CB-CB 4.3Å; N10-H118 PolarHBondContact OD1-CD2 3.24Å; N10-H118 PolarHBondContact OD1-NE2 3.42Å; F13-H118 HydrophobicContact CD2-CB 4.23Å; F13-H118 AromaticContact CD2-CD2 3.79Å; F13-H118 AromaticContact CD2-CE1 3.48Å; F13-H118 VanDerWaalsContact CD2-CE1 3.48Å; F13-H118 WeakPolarHBondContact CD2-CE1 3.07Å; F13-H118 AromaticContact CD2-CG 3.54Å; F13-H118 AromaticContact CD2-ND1 3.33Å; F13-H118 VanDerWaalsContact CD2-ND1 3.33Å; F13-H118 WeakPolarHBondContact CD2-ND1 3.2Å; F13-H118 AromaticContact CD2-NE2 3.75Å; F13-H118 HydrophobicContact CE2-CB 4.04Å; F13-H118 AromaticContact CE2-CG 3.86Å; F13-H118 AromaticContact CE2-ND1 3.79Å; F13-H118 AromaticContact CG-CE1 3.62Å; F13-H118 AromaticContact CG-ND1 3.8Å; L107-H118 HydrophobicContact CD2-CB 4.38Å; H118-V120 PolarHBondContact ND1-N 2.93Å; H118-V120 PolarHBondContact O-N 3.29Å; H118-A121 HydrophobicContact CB-CB 4.02Å; H118-A121 WeakPolarHBondContact O-CB 3.47Å; H118-A121 PolarHBondContact O-N 2.94Å; H118-A121 VanDerWaalsContact O-N 3.09Å; H118-E122 WeakPolarHBondContact O-CB 3.21Å; H118-E122 PolarHBondContact O-N 2.92Å
119S90.5Very high92Very high69 Ų6944.1 Ų44.148%0.48326%0.263SS..Hα-helixtrans-61.6-39-171.755.80000113.8E122 T123S119-E122 PolarHBondContact O-N 2.93Å; S119-T123 PolarHBondContact O-N 3.3Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 3.03Å
120V89.9Confident91.6Very high50 Ų5051.4 Ų51.430%0.30329%0.291SS..Hα-helixtrans-65.9-41.9175.8178.80000110.9F13 E19 H118 T123 F124F13-V120 HydrophobicContact CD1-CG1 4.29Å; E19-V120 HydrophobicContact CG-CG1 4.26Å; H118-V120 PolarHBondContact ND1-N 2.93Å; H118-V120 PolarHBondContact O-N 3.29Å; V120-T123 PolarHBondContact O-N 2.85Å; V120-F124 HydrophobicContact CG1-CD2 4.08Å; V120-F124 HydrophobicContact CG1-CE2 3.52Å; V120-F124 WeakPolarHBondContact O-CD2 3.22Å; V120-F124 PolarHBondContact O-N 2.86Å
121A92.6Very high91.3Very high4 Ų452.9 Ų52.93%0.03330%0.299CS..Hα-helixtrans-63.8-46.5178.200000110.5F13 Y22 H118 T123 F124 H125F13-A121 HydrophobicContact CE1-CB 4.5Å; F13-A121 HydrophobicContact CE2-CB 3.97Å; F13-A121 HydrophobicContact CZ-CB 3.67Å; Y22-A121 HydrophobicContact CE1-CB 3.86Å; Y22-A121 HydrophobicContact CE2-CB 4.31Å; Y22-A121 PolarHBondContact OH-O 3.42Å; H118-A121 HydrophobicContact CB-CB 4.02Å; H118-A121 WeakPolarHBondContact O-CB 3.47Å; H118-A121 PolarHBondContact O-N 2.94Å; H118-A121 VanDerWaalsContact O-N 3.09Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 3.18Å; A121-F124 PolarHBondContact O-N 3.25Å; A121-H125 WeakPolarHBondContact O-CB 3.17Å; A121-H125 PolarHBondContact O-N 3.29Å
122E90.5Very high91.1Very high48 Ų4850.6 Ų50.622%0.22428%0.275CS..Hα-helixtrans-57.2-42.3178.3-175.362.5-163.200112.5Y117 H118 S119 F124 H125 Q126Y117-E122 HydrophobicContact CE2-CB 3.82Å; Y117-E122 HydrophobicContact CE2-CG 3.86Å; H118-E122 WeakPolarHBondContact O-CB 3.21Å; H118-E122 PolarHBondContact O-N 2.92Å; S119-E122 PolarHBondContact O-N 2.93Å; E122-F124 VanDerWaalsContact C-N 3.35Å; E122-F124 PolarHBondContact O-N 3.13Å; E122-H125 PolarHBondContact O-N 3.38Å; E122-Q126 HydrophobicContact CG-CG 4.31Å; E122-Q126 WeakPolarHBondContact O-CB 3.42Å; E122-Q126 VanDerWaalsContact O-CG 3.29Å; E122-Q126 WeakPolarHBondContact O-CG 3.26Å; E122-Q126 PolarHBondContact O-N 3.16Å; E122-Q126 WeakPolarHBondContact OE1-CG 3.2Å; E122-Q126 PolarHBondContact OE1-NE2 2.88Å
123T89.9Confident90.6Very high88 Ų8848.7 Ų48.754%0.5426%0.26SS..Hα-helixtrans-61.1-44.3179.4-560000111.5S119 V120 A121 S127S119-T123 PolarHBondContact O-N 3.3Å; S119-T123 VanDerWaalsContact O-N 3.1Å; S119-T123 PolarHBondContact O-OG1 3.03Å; V120-T123 PolarHBondContact O-N 2.85Å; A121-T123 VanDerWaalsContact C-N 3.32Å; A121-T123 PolarHBondContact O-N 3.18Å; T123-S127 WeakPolarHBondContact O-CB 3.16Å; T123-S127 PolarHBondContact O-N 3.22Å
124F91.4Very high90.1Very high49 Ų4950.1 Ų50.122%0.21527%0.268CS..Hα-helixtrans-72.7-38.7177.6-64.9-56.7000112.4E19 Y22 K23 V120 A121 E122 S127 A128E19-F124 HydrophobicContact CG-CE2 4.04Å; E19-F124 WeakPolarHBondContact OE1-CE2 3.22Å; E19-F124 WeakPolarHBondContact OE1-CZ 3.12Å; Y22-F124 HydrophobicContact CE1-CB 4.1Å; K23-F124 HydrophobicContact CD-CD1 4.05Å; K23-F124 HydrophobicContact CD-CD2 4.47Å; K23-F124 HydrophobicContact CD-CE1 3.93Å; K23-F124 HydrophobicContact CD-CE2 4.34Å; K23-F124 HydrophobicContact CD-CG 4.38Å; K23-F124 HydrophobicContact CD-CZ 4.12Å; K23-F124 HydrophobicContact CG-CD1 4.02Å; K23-F124 HydrophobicContact CG-CD2 4.03Å; K23-F124 HydrophobicContact CG-CE1 4.36Å; K23-F124 HydrophobicContact CG-CE2 4.34Å; K23-F124 HydrophobicContact CG-CG 3.91Å; V120-F124 HydrophobicContact CG1-CD2 4.08Å; V120-F124 HydrophobicContact CG1-CE2 3.52Å; V120-F124 WeakPolarHBondContact O-CD2 3.22Å; V120-F124 PolarHBondContact O-N 2.86Å; A121-F124 PolarHBondContact O-N 3.25Å; E122-F124 VanDerWaalsContact C-N 3.35Å; E122-F124 PolarHBondContact O-N 3.13Å; F124-S127 PolarHBondContact O-N 3.49Å; F124-A128 VanDerWaalsContact O-CB 3.29Å; F124-A128 WeakPolarHBondContact O-CB 3.49Å; F124-A128 PolarHBondContact O-N 3.1Å
125H92.7Very high89.5Confident20 Ų2050 Ų509%0.09326%0.264CS..Hα-helixtrans-56.2-54.5173.6174.5-76.7000111F31 R104 G105 A121 E122 S127 A128 C129F31-H125 AromaticContact CE2-CD2 3.69Å; F31-H125 AromaticContact CE2-NE2 3.79Å; F31-H125 AromaticContact CZ-NE2 3.67Å; R104-H125 PolarHBondContact O-NE2 2.88Å; G105-H125 PolarHBondContact O-CD2 3.09Å; A121-H125 WeakPolarHBondContact O-CB 3.17Å; A121-H125 PolarHBondContact O-N 3.29Å; E122-H125 PolarHBondContact O-N 3.38Å; H125-S127 VanDerWaalsContact C-N 3.33Å; H125-S127 PolarHBondContact O-N 3.4Å; H125-A128 PolarHBondContact O-N 2.86Å; H125-C129 WeakPolarHBondContact O-CB 3.39Å; H125-C129 PolarHBondContact O-N 3.34Å
126Q89.3Confident88.7Confident66 Ų6648.6 Ų48.631%0.30826%0.258SS..Hα-helixtrans-60.3-41.7-179.3-72.8-179.73.500112.1E122 R130E122-Q126 HydrophobicContact CG-CG 4.31Å; E122-Q126 WeakPolarHBondContact O-CB 3.42Å; E122-Q126 VanDerWaalsContact O-CG 3.29Å; E122-Q126 WeakPolarHBondContact O-CG 3.26Å; E122-Q126 PolarHBondContact O-N 3.16Å; E122-Q126 WeakPolarHBondContact OE1-CG 3.2Å; E122-Q126 PolarHBondContact OE1-NE2 2.88Å; Q126-R130 WeakPolarHBondContact O-CB 3.3Å; Q126-R130 PolarHBondContact O-N 3.37Å
127S90.7Very high87.5Confident60 Ų6048.6 Ų48.642%0.4226%0.264SS..Hα-helixtrans-64.9-47.7177.51740000112T123 F124 H125 T131T123-S127 WeakPolarHBondContact O-CB 3.16Å; T123-S127 PolarHBondContact O-N 3.22Å; F124-S127 PolarHBondContact O-N 3.49Å; H125-S127 VanDerWaalsContact C-N 3.33Å; H125-S127 PolarHBondContact O-N 3.4Å; S127-T131 PolarHBondContact O-N 2.96Å; S127-T131 VanDerWaalsContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.42Å
128A92Very high86.8Confident0 Ų044.2 Ų44.20%025%0.247CC..Hα-helixtrans-68-46.5-178.800000111.8I26 F31 F124 H125 R130 T131 Y132I26-A128 HydrophobicContact CG2-CB 3.33Å; F31-A128 HydrophobicContact CB-CB 4.26Å; F31-A128 HydrophobicContact CD2-CB 3.91Å; F124-A128 VanDerWaalsContact O-CB 3.29Å; F124-A128 WeakPolarHBondContact O-CB 3.49Å; F124-A128 PolarHBondContact O-N 3.1Å; H125-A128 PolarHBondContact O-N 2.86Å; A128-R130 PolarHBondContact O-N 3.42Å; A128-T131 PolarHBondContact O-N 3.37Å; A128-Y132 VanDerWaalsContact O-CB 3.29Å; A128-Y132 WeakPolarHBondContact O-CB 3.35Å; A128-Y132 PolarHBondContact O-N 3.08Å
129C90Very high85.8Confident11 Ų1146.9 Ų46.97%0.07427%0.268CS..Hα-helixtrans-61.4-43.6178.4-174.80000111.5F31 H125 T131 Y132 L133 N140F31-C129 HydrophobicContact CD1-CB 4.46Å; F31-C129 HydrophobicContact CD2-CB 4.09Å; F31-C129 HydrophobicContact CE1-CB 4.18Å; F31-C129 HydrophobicContact CE2-CB 3.78Å; F31-C129 HydrophobicContact CG-CB 4.42Å; F31-C129 HydrophobicContact CZ-CB 3.83Å; H125-C129 WeakPolarHBondContact O-CB 3.39Å; H125-C129 PolarHBondContact O-N 3.34Å; C129-T131 PolarHBondContact O-N 3.43Å; C129-Y132 PolarHBondContact O-N 2.77Å; C129-L133 WeakPolarHBondContact O-CB 3.48Å; C129-L133 WeakPolarHBondContact O-CG 3.39Å; C129-L133 PolarHBondContact O-N 3.38Å; C129-N140 PolarHBondContact SG-ND2 3.39Å
130R87.8Confident85Confident153 Ų15345.3 Ų45.358%0.57725%0.254SS*.Hα-helixtrans-58.4-47.2175-173.7-166.7-34.4-165.95.3112Q126 A128 Y132 A134Q126-R130 WeakPolarHBondContact O-CB 3.3Å; Q126-R130 PolarHBondContact O-N 3.37Å; A128-R130 PolarHBondContact O-N 3.42Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; R130-A134 VanDerWaalsContact O-CB 3.29Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.29Å
131T88.4Confident84Confident56 Ų5649.6 Ų49.634%0.34427%0.265SS..Hα-helixtrans-64.6-41.5179.9-49.90000111.2K33 S127 A128 C129K33-T131 HydrophobicContact CD-CG2 3.79Å; K33-T131 HydrophobicContact CG-CG2 4.49Å; S127-T131 PolarHBondContact O-N 2.96Å; S127-T131 VanDerWaalsContact O-N 3.16Å; S127-T131 PolarHBondContact O-OG1 3.42Å; A128-T131 PolarHBondContact O-N 3.37Å; C129-T131 PolarHBondContact O-N 3.43Å
132Y87.2Confident82.9Confident5 Ų555.7 Ų55.72%0.0229%0.288CS..Hα-helixtrans-63.6-50.2178172.5-98.9000112.3F31 P32 F38 A128 C129 R130 A134 Q135 F136 L553F31-Y132 HydrophobicContact CB-CD2 4.08Å; F31-Y132 HydrophobicContact CB-CG 3.89Å; F31-Y132 AromaticContact CD1-CD1 3.83Å; F31-Y132 HydrophobicContact CD1-CD1 3.83Å; F31-Y132 HydrophobicContact CD1-CE1 4.26Å; F31-Y132 HydrophobicContact CD1-CG 4.06Å; F31-Y132 HydrophobicContact CG-CG 4.39Å; P32-Y132 HydrophobicContact CG-CE2 4.28Å; P32-Y132 WeakPolarHBondContact O-CD2 3.44Å; F38-Y132 HydrophobicContact CD1-CE2 4.33Å; F38-Y132 HydrophobicContact CE1-CD2 4.28Å; F38-Y132 AromaticContact CE1-CE2 3.35Å; F38-Y132 HydrophobicContact CE1-CE2 3.35Å; F38-Y132 HydrophobicContact CZ-CD2 4.16Å; F38-Y132 AromaticContact CZ-CE2 3.66Å; F38-Y132 HydrophobicContact CZ-CE2 3.66Å; A128-Y132 VanDerWaalsContact O-CB 3.29Å; A128-Y132 WeakPolarHBondContact O-CB 3.35Å; A128-Y132 PolarHBondContact O-N 3.08Å; C129-Y132 PolarHBondContact O-N 2.77Å; R130-Y132 VanDerWaalsContact C-N 3.34Å; Y132-A134 VanDerWaalsContact C-N 3.35Å; Y132-A134 PolarHBondContact O-N 2.96Å; Y132-Q135 PolarHBondContact O-N 3.44Å; Y132-F136 HydrophobicContact CD2-CE2 4.44Å; Y132-F136 HydrophobicContact CE1-CE2 4.42Å; Y132-F136 HydrophobicContact CE2-CE2 4.15Å; Y132-F136 WeakPolarHBondContact O-CD2 3.44Å; Y132-F136 WeakPolarHBondContact O-CE2 3.4Å; Y132-L553 HydrophobicContact CE1-CD1 3.88Å; Y132-L553 HydrophobicContact CE1-CD2 4.14Å; Y132-L553 WeakPolarHBondContact OH-CD1 3.38Å
133L84.2Confident81.8Confident23 Ų2360.8 Ų60.812%0.1231%0.305CS..Hα-helixtrans-66-35.7180-72.2-171.9000112.5C129 Q135 F136 G137 L138 N140C129-L133 WeakPolarHBondContact O-CB 3.48Å; C129-L133 WeakPolarHBondContact O-CG 3.39Å; C129-L133 PolarHBondContact O-N 3.38Å; L133-Q135 PolarHBondContact O-N 3.04Å; L133-F136 CarbonylContact O-C 3.57Å; L133-F136 WeakPolarHBondContact O-CA 3.46Å; L133-F136 PolarHBondContact O-N 3.35Å; L133-G137 PolarHBondContact O-N 3.13Å; L133-L138 CarbonylContact C-O 3.48Å; L133-L138 VanDerWaalsContact C-O 3.23Å; L133-L138 HydrophobicContact CB-CB 3.75Å; L133-L138 WeakPolarHBondContact CB-O 3.34Å; L133-L138 HydrophobicContact CD1-CB 4.49Å; L133-L138 HydrophobicContact CD2-CB 4.11Å; L133-L138 HydrophobicContact CD2-CD1 3.8Å; L133-L138 HydrophobicContact CG-CB 4.33Å; L133-L138 WeakPolarHBondContact O-CB 3.44Å; L133-L138 PolarHBondContact O-N 3.21Å; L133-N140 HydrophobicContact CD1-CB 3.84Å
134A81.6Confident81Confident65 Ų6567.2 Ų67.254%0.53732%0.32SS..Hα-helixtrans-59-31.9179.200000113R130 Y132 F136 G137 L138R130-A134 VanDerWaalsContact O-CB 3.29Å; R130-A134 WeakPolarHBondContact O-CB 3.4Å; R130-A134 PolarHBondContact O-N 3.29Å; Y132-A134 VanDerWaalsContact C-N 3.35Å; Y132-A134 PolarHBondContact O-N 2.96Å; A134-F136 PolarHBondContact O-N 3.32Å; A134-F136 VanDerWaalsContact O-N 3.17Å; A134-G137 PolarHBondContact O-N 2.81Å; A134-G137 VanDerWaalsContact O-N 3.12Å; A134-L138 PolarHBondContact N-O 3.08Å
135Q78.3Confident80.1Confident96 Ų9666.7 Ų66.745%0.44932%0.321SS..THydrogen-bonded Turntrans-63.6-18.7175.4-63.8179.7-9.800113.2Y132 L133Y132-Q135 PolarHBondContact O-N 3.44Å; L133-Q135 PolarHBondContact O-N 3.04Å
136F75.8Confident79.6Confident8 Ų868.3 Ų68.34%0.03534%0.335CS..THydrogen-bonded Turntrans-110.314.9178.9-55.6-80.4000112F38 Y132 L133 A134 L138 N450 K551 L553F38-F136 HydrophobicContact CE1-CE2 4.23Å; F38-F136 AromaticContact CE1-CZ 3.8Å; F38-F136 HydrophobicContact CE1-CZ 3.8Å; F38-F136 HydrophobicContact CZ-CE2 4Å; F38-F136 AromaticContact CZ-CZ 3.68Å; F38-F136 HydrophobicContact CZ-CZ 3.68Å; Y132-F136 HydrophobicContact CD2-CE2 4.44Å; Y132-F136 HydrophobicContact CE1-CE2 4.42Å; Y132-F136 HydrophobicContact CE2-CE2 4.15Å; Y132-F136 WeakPolarHBondContact O-CD2 3.44Å; Y132-F136 WeakPolarHBondContact O-CE2 3.4Å; L133-F136 CarbonylContact O-C 3.57Å; L133-F136 WeakPolarHBondContact O-CA 3.46Å; L133-F136 PolarHBondContact O-N 3.35Å; A134-F136 PolarHBondContact O-N 3.32Å; A134-F136 VanDerWaalsContact O-N 3.17Å; F136-L138 HydrophobicContact CB-CD1 4.08Å; F136-L138 HydrophobicContact CB-CG 4.08Å; F136-L138 PolarHBondContact O-N 3.04Å; F136-N450 PolarHBondContact O-ND2 3.46Å; F136-K551 HydrophobicContact CD1-CD 4.18Å; F136-K551 HydrophobicContact CE1-CD 4.24Å; F136-L553 HydrophobicContact CB-CD2 4.25Å; F136-L553 HydrophobicContact CD1-CD2 3.82Å; F136-L553 HydrophobicContact CD2-CD2 3.26Å; F136-L553 HydrophobicContact CE1-CD2 3.91Å; F136-L553 HydrophobicContact CE2-CD2 3.38Å; F136-L553 HydrophobicContact CG-CD2 3.49Å; F136-L553 VanDerWaalsContact CG-CD2 3.49Å; F136-L553 HydrophobicContact CZ-CD2 3.71Å
137G70.4Confident79.3Confident26 Ų2672.2 Ų72.227%0.26835%0.351SS..THydrogen-bonded Turntrans65.922.8-175.600000113.3L133 A134 Q371L133-G137 PolarHBondContact O-N 3.13Å; A134-G137 PolarHBondContact O-N 2.81Å; A134-G137 VanDerWaalsContact O-N 3.12Å; G137-Q371 VanDerWaalsContact CA-OE1 3.25Å; G137-Q371 PolarHBondContact O-OE1 3.13Å
138L75.2Confident78.9Confident15 Ų1574.8 Ų74.88%0.07936%0.36CS..  trans-105.2147.9-178.5-61176.5000111.2L133 A134 F136 V195 L554L133-L138 CarbonylContact C-O 3.48Å; L133-L138 VanDerWaalsContact C-O 3.23Å; L133-L138 HydrophobicContact CB-CB 3.75Å; L133-L138 WeakPolarHBondContact CB-O 3.34Å; L133-L138 HydrophobicContact CD1-CB 4.49Å; L133-L138 HydrophobicContact CD2-CB 4.11Å; L133-L138 HydrophobicContact CD2-CD1 3.8Å; L133-L138 HydrophobicContact CG-CB 4.33Å; L133-L138 WeakPolarHBondContact O-CB 3.44Å; L133-L138 PolarHBondContact O-N 3.21Å; A134-L138 PolarHBondContact N-O 3.08Å; F136-L138 HydrophobicContact CB-CD1 4.08Å; F136-L138 HydrophobicContact CB-CG 4.08Å; F136-L138 PolarHBondContact O-N 3.04Å; L138-V195 HydrophobicContact CD2-CG1 4.22Å; L138-V195 HydrophobicContact CD2-CG2 3.73Å; L138-L554 HydrophobicContact CD1-CD2 3.72Å; L138-L554 HydrophobicContact CD2-CD2 4.04Å; L138-L554 HydrophobicContact CG-CD2 4.29Å
139S73.1Confident78.4Confident73 Ų7378.1 Ų78.151%0.5138%0.376SS..  trans-111.4137.6175.2-178.80000111.2R141S139-R141 WeakPolarHBondContact OG-CB 3.39Å; S139-R141 PolarHBondContact OG-N 3.37Å; S139-R141 VanDerWaalsContact OG-N 3.08Å
140N73.9Confident78Confident36 Ų3681.8 Ų81.819%0.19339%0.394CS..  trans-95.716.3166-162.311.8000112.1C129 L133 Y142C129-N140 PolarHBondContact SG-ND2 3.39Å; L133-N140 HydrophobicContact CD1-CB 3.84Å; N140-Y142 PolarHBondContact O-N 3.27Å
141R69.7Low77.9Confident140 Ų14082.4 Ų82.453%0.52840%0.396SS..  trans-69.4110.9177.3-75.2-173.2175.8170.54.2108.6S139 P281 D283S139-R141 WeakPolarHBondContact OG-CB 3.39Å; S139-R141 PolarHBondContact OG-N 3.37Å; S139-R141 VanDerWaalsContact OG-N 3.08Å; R141-P281 PolarHBondContact NH1-O 2.97Å; R141-P281 PolarHBondContact NH2-O 3.34Å; R141-D283 IonicContact CZ-OD1 2.73Å; R141-D283 IonicContact NH2-OD1 3.71Å; R141-D283 PolarHBondContact NH2-OD1 3.17Å
142Y68.1Low77.6Confident131 Ų13184.4 Ų84.451%0.51441%0.405SS..  trans-60.2138.9168.9-58.9-73000109.6N140 R144N140-Y142 PolarHBondContact O-N 3.27Å; Y142-R144 PolarHBondContact O-N 2.7Å; Y142-R144 VanDerWaalsContact O-N 3.11Å
143W68.3Low77.2Confident155 Ų15587.7 Ų87.759%0.58742%0.422SS*.  trans-58.9118.7169.9178.868.5000109P145 E149 I153W143-P145 HydrophobicContact CD2-CB 4.26Å; W143-P145 HydrophobicContact CD2-CG 4.38Å; W143-P145 HydrophobicContact CE3-CB 4.17Å; W143-P145 HydrophobicContact CE3-CG 3.92Å; W143-P145 HydrophobicContact CH2-CB 3.49Å; W143-P145 VanDerWaalsContact CH2-CB 3.49Å; W143-P145 HydrophobicContact CH2-CG 3.89Å; W143-P145 HydrophobicContact CZ2-CB 3.53Å; W143-P145 HydrophobicContact CZ2-CG 4.3Å; W143-P145 HydrophobicContact CZ3-CB 3.79Å; W143-P145 HydrophobicContact CZ3-CG 3.64Å; W143-P145 WeakPolarHBondContact O-CD 3.5Å; W143-E149 HydrophobicContact CZ2-CB 4.01Å; W143-E149 HydrophobicContact CZ2-CG 4.44Å; W143-E149 PolarHBondContact NE1-OE1 3.07Å; W143-I153 HydrophobicContact CH2-CD1 3.67Å; W143-I153 HydrophobicContact CH2-CG1 3.89Å; W143-I153 HydrophobicContact CZ3-CD1 3.91Å
144R72.8Confident77.1Confident223 Ų22391.5 Ų91.584%0.84245%0.448SS*.  trans-110.292.7175.6-77.4-170.8165.8175-1.6107.7Y142 S146Y142-R144 PolarHBondContact O-N 2.7Å; Y142-R144 VanDerWaalsContact O-N 3.11Å; R144-S146 PolarHBondContact O-N 2.97Å
145P73.5Confident77.1Confident38 Ų3895.8 Ų95.825%0.24746%0.456CS..  trans-62.3131.6-176.221.3-30.2000111.3W143 E149 L150W143-P145 HydrophobicContact CD2-CB 4.26Å; W143-P145 HydrophobicContact CD2-CG 4.38Å; W143-P145 HydrophobicContact CE3-CB 4.17Å; W143-P145 HydrophobicContact CE3-CG 3.92Å; W143-P145 HydrophobicContact CH2-CB 3.49Å; W143-P145 VanDerWaalsContact CH2-CB 3.49Å; W143-P145 HydrophobicContact CH2-CG 3.89Å; W143-P145 HydrophobicContact CZ2-CB 3.53Å; W143-P145 HydrophobicContact CZ2-CG 4.3Å; W143-P145 HydrophobicContact CZ3-CB 3.79Å; W143-P145 HydrophobicContact CZ3-CG 3.64Å; W143-P145 WeakPolarHBondContact O-CD 3.5Å; P145-E149 HydrophobicContact CB-CB 3.85Å; P145-L150 HydrophobicContact CB-CD2 3.91Å; P145-L150 HydrophobicContact CB-CG 3.95Å; P145-L150 HydrophobicContact CG-CD2 3.49Å; P145-L150 VanDerWaalsContact CG-CD2 3.49Å; P145-L150 HydrophobicContact CG-CG 3.98Å
146S81.5Confident76.8Confident55 Ų5596 Ų9639%0.38546%0.459SS..  trans-59.9162.5162.667.10000110.8R144 N148 E149 L150R144-S146 PolarHBondContact O-N 2.97Å; S146-N148 PolarHBondContact O-N 3.12Å; S146-E149 VanDerWaalsContact CB-OE2 3.25Å; S146-E149 WeakPolarHBondContact CB-OE2 3.19Å; S146-E149 PolarHBondContact N-OE2 3.36Å; S146-E149 PolarHBondContact O-N 2.93Å; S146-E149 VanDerWaalsContact O-N 3.08Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å; S146-E149 PolarHBondContact OG-N 3.22Å; S146-E149 PolarHBondContact OG-OE2 3.37Å; S146-L150 PolarHBondContact O-N 3.29Å
147F82.9Confident76.4Confident148 Ų148101 Ų10165%0.64949%0.491SS*.Hα-helixtrans-56.3-36.2176-177.7-99.8000112.7L150 R151F147-L150 PolarHBondContact O-N 3.22Å; F147-R151 HydrophobicContact CE1-CG 4.26Å; F147-R151 HydrophobicContact CZ-CG 4.45Å; F147-R151 WeakPolarHBondContact O-CG 3.42Å; F147-R151 PolarHBondContact O-N 2.55Å
148N82.8Confident76.1Confident113 Ų113104.4 Ų104.460%0.60451%0.509SS*.Hα-helixtrans-67.4-41.1176.8-73.3-21.6000111.8S146 R151 L152S146-N148 PolarHBondContact O-N 3.12Å; N148-R151 PolarHBondContact O-N 3.45Å; N148-L152 PolarHBondContact O-N 3.17Å
149E80.1Confident75.4Confident71 Ų71108.5 Ų108.533%0.33253%0.534SS..Hα-helixtrans-65-42.7175-72.9163.9110.300111.8W143 P145 S146 R151 L152 I153W143-E149 HydrophobicContact CZ2-CB 4.01Å; W143-E149 HydrophobicContact CZ2-CG 4.44Å; W143-E149 PolarHBondContact NE1-OE1 3.07Å; P145-E149 HydrophobicContact CB-CB 3.85Å; S146-E149 VanDerWaalsContact CB-OE2 3.25Å; S146-E149 WeakPolarHBondContact CB-OE2 3.19Å; S146-E149 PolarHBondContact N-OE2 3.36Å; S146-E149 PolarHBondContact O-N 2.93Å; S146-E149 VanDerWaalsContact O-N 3.08Å; S146-E149 WeakPolarHBondContact OG-CG 3.4Å; S146-E149 PolarHBondContact OG-N 3.22Å; S146-E149 PolarHBondContact OG-OE2 3.37Å; E149-R151 PolarHBondContact O-N 3.23Å; E149-L152 WeakPolarHBondContact O-CA 3.42Å; E149-L152 WeakPolarHBondContact O-CB 3.39Å; E149-L152 PolarHBondContact O-N 3.31Å; E149-I153 WeakPolarHBondContact O-CG1 3.04Å; E149-I153 PolarHBondContact O-N 3.44Å; E149-I153 VanDerWaalsContact O-N 3.07Å
150L81.8Confident74.5Confident87 Ų87110.9 Ų110.946%0.45554%0.54SS..Hα-helixtrans-55.4-36.2175.4-74.2176.9000112.3P145 S146 F147 L152 I153P145-L150 HydrophobicContact CB-CD2 3.91Å; P145-L150 HydrophobicContact CB-CG 3.95Å; P145-L150 HydrophobicContact CG-CD2 3.49Å; P145-L150 VanDerWaalsContact CG-CD2 3.49Å; P145-L150 HydrophobicContact CG-CG 3.98Å; S146-L150 PolarHBondContact O-N 3.29Å; F147-L150 PolarHBondContact O-N 3.22Å; L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.41Å; L150-I153 HydrophobicContact CD2-CD1 3.66Å
151R86.4Confident73.4Confident166 Ų166114 Ų11463%0.62656%0.562SS**Hα-helixtrans-70-23.3175.5-69.7-177.669.5-174.22.5113.4F147 N148 E149 H155F147-R151 HydrophobicContact CE1-CG 4.26Å; F147-R151 HydrophobicContact CZ-CG 4.45Å; F147-R151 WeakPolarHBondContact O-CG 3.42Å; F147-R151 PolarHBondContact O-N 2.55Å; N148-R151 PolarHBondContact O-N 3.45Å; E149-R151 PolarHBondContact O-N 3.23Å; R151-H155 PolarHBondContact O-CD2 3.46Å
152L82.2Confident72.6Confident99 Ų99109.1 Ų109.152%0.51855%0.547SS..Hα-helixtrans-87-27.2177.9-64173.4000112.4N148 E149 L150 P154 H155 I156N148-L152 PolarHBondContact O-N 3.17Å; E149-L152 WeakPolarHBondContact O-CA 3.42Å; E149-L152 WeakPolarHBondContact O-CB 3.39Å; E149-L152 PolarHBondContact O-N 3.31Å; L150-L152 VanDerWaalsContact C-N 3.28Å; L150-L152 PolarHBondContact O-N 3.41Å; L152-P154 VanDerWaalsContact C-CD 3.43Å; L152-P154 VanDerWaalsContact C-N 3.33Å; L152-P154 VanDerWaalsContact O-N 3.15Å; L152-H155 CarbonylContact O-C 3.59Å; L152-H155 WeakPolarHBondContact O-CA 3.47Å; L152-H155 WeakPolarHBondContact O-CB 3.29Å; L152-H155 PolarHBondContact O-N 2.9Å; L152-I156 HydrophobicContact CB-CD1 4.06Å; L152-I156 HydrophobicContact CB-CG1 4.39Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.2Å; L152-I156 VanDerWaalsContact O-N 3.13Å
153I78.2Confident71.5Confident74 Ų74106.7 Ų106.738%0.37955%0.546SS..G310 helixtrans-45.8-47.6-177.3-66.6175.9000113.4W143 E149 L150 H155 I156W143-I153 HydrophobicContact CH2-CD1 3.67Å; W143-I153 HydrophobicContact CH2-CG1 3.89Å; W143-I153 HydrophobicContact CZ3-CD1 3.91Å; E149-I153 WeakPolarHBondContact O-CG1 3.04Å; E149-I153 PolarHBondContact O-N 3.44Å; E149-I153 VanDerWaalsContact O-N 3.07Å; L150-I153 HydrophobicContact CD2-CD1 3.66Å; I153-H155 PolarHBondContact O-N 3.35Å; I153-H155 VanDerWaalsContact O-N 3.13Å; I153-I156 PolarHBondContact O-N 3.2Å
154P82Confident70.4Confident103 Ų103102.9 Ų102.967%0.66954%0.539SS*.G310 helixtrans-66-16.3-179.7-20.934.4000114.5L152L152-P154 VanDerWaalsContact C-CD 3.43Å; L152-P154 VanDerWaalsContact C-N 3.33Å; L152-P154 VanDerWaalsContact O-N 3.15Å
155H81.5Confident69.3Low154 Ų154100.1 Ų100.171%0.71354%0.541SS*.G310 helixtrans-104.4-5.9-178.5-54.9-55.3000112.9R151 L152 I153R151-H155 PolarHBondContact O-CD2 3.46Å; L152-H155 CarbonylContact O-C 3.59Å; L152-H155 WeakPolarHBondContact O-CA 3.47Å; L152-H155 WeakPolarHBondContact O-CB 3.29Å; L152-H155 PolarHBondContact O-N 2.9Å; I153-H155 PolarHBondContact O-N 3.35Å; I153-H155 VanDerWaalsContact O-N 3.13Å
156I72.7Confident68.2Low100 Ų10099.6 Ų99.651%0.51354%0.542SS..PPolyproline II helixtrans-86.1122.8177.4-66.7166.8000108.3L152 I153 P158L152-I156 HydrophobicContact CB-CD1 4.06Å; L152-I156 HydrophobicContact CB-CG1 4.39Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.2Å; L152-I156 VanDerWaalsContact O-N 3.13Å; I153-I156 PolarHBondContact O-N 3.2Å; I156-P158 WeakPolarHBondContact O-CD 3.41Å
157T67.2Low66.6Low113 Ų11397.5 Ų97.569%0.69353%0.528SS*.PPolyproline II helixtrans-74.2120.6166.8-44.80000108V159T157-V159 PolarHBondContact O-N 3.31Å
158P63.6Low64.9Low99 Ų9995.2 Ų95.264%0.64353%0.53SS*.PPolyproline II helixtrans-56134.7176.3-22.732.5000110.2I156 L160I156-P158 WeakPolarHBondContact O-CD 3.41Å; P158-L160 PolarHBondContact O-N 3.12Å; P158-L160 VanDerWaalsContact O-N 3.1Å
159V60.8Low63.3Low101 Ų10192 Ų9261%0.61252%0.524SS*.  trans-65.9111.4165.8-178.60000106T157T157-V159 PolarHBondContact O-N 3.31Å
160L53.9Low62.4Low122 Ų12290 Ų9064%0.63952%0.519SS*.  trans-60.9133.2175.8-83.5127.4000108.3P158 L162P158-L160 PolarHBondContact O-N 3.12Å; P158-L160 VanDerWaalsContact O-N 3.1Å; L160-L162 PolarHBondContact O-N 3.27Å
161P51.8Low62.4Low101 Ų10186.7 Ų86.766%0.65650%0.501SS*.  trans-50.6141.3166.9-22.331.6000109T163P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 WeakPolarHBondContact O-CG2 3.43Å; P161-T163 PolarHBondContact O-N 3.36Å
162L52.1Low62.5Low39 Ų3979.5 Ų79.520%0.20448%0.475CS..  trans-57.798.1167.4-55.2174.8000105.7L160 V164 A170 Y229 V518L160-L162 PolarHBondContact O-N 3.27Å; L162-V164 PolarHBondContact O-N 3.19Å; L162-A170 HydrophobicContact CB-CB 4.18Å; L162-A170 HydrophobicContact CD2-CB 3.26Å; L162-A170 WeakPolarHBondContact CD2-O 3.4Å; L162-A170 HydrophobicContact CG-CB 4.29Å; L162-Y229 HydrophobicContact CD1-CE1 4.01Å; L162-Y229 HydrophobicContact CD2-CE1 4.41Å; L162-Y229 HydrophobicContact CG-CE1 4.33Å; L162-V518 HydrophobicContact CD1-CB 4.16Å; L162-V518 HydrophobicContact CD1-CG1 4.39Å
163T44.6Very low63Low80 Ų8075 Ų7549%0.49145%0.451SS..  trans-67.2136.5-167.449.20000110.4P161 N165 G166P161-T163 VanDerWaalsContact C-N 3.27Å; P161-T163 WeakPolarHBondContact O-CG2 3.43Å; P161-T163 PolarHBondContact O-N 3.36Å; T163-N165 PolarHBondContact O-N 3.31Å; T163-N165 VanDerWaalsContact O-N 3.16Å; T163-G166 PolarHBondContact O-N 3.38Å
164V46.9Very low63.9Low75 Ų7571.4 Ų71.446%0.45543%0.433SS..THydrogen-bonded Turntrans-57.9-29.7-178.9178.30000112.2L162 G166 S522L162-V164 PolarHBondContact O-N 3.19Å; V164-G166 VanDerWaalsContact C-N 3.3Å; V164-G166 PolarHBondContact O-N 2.83Å; V164-S522 PolarHBondContact O-OG 3.43Å; V164-S522 VanDerWaalsContact O-OG 3.12Å
165N49.7Very low64.6Low165 Ų16569.1 Ų69.188%0.88242%0.415SS*.THydrogen-bonded Turntrans-86.28.5-170.5-69.8-2.7000115T163T163-N165 PolarHBondContact O-N 3.31Å; T163-N165 VanDerWaalsContact O-N 3.16Å
166G49.1Very low65.1Low26 Ų2664.4 Ų64.427%0.26840%0.395SS..  trans172.397.5169.900000111.4T163 V164 S168 G169T163-G166 PolarHBondContact O-N 3.38Å; V164-G166 VanDerWaalsContact C-N 3.3Å; V164-G166 PolarHBondContact O-N 2.83Å; G166-S168 PolarHBondContact O-N 3.17Å; G166-G169 PolarHBondContact O-N 2.69Å
167C47.8Very low66Low12 Ų1262 Ų628%0.08138%0.382CS..G310 helixtrans-50.3-20.1171.7-55.20000113G169 A170 V518 C524C167-G169 PolarHBondContact O-N 3.41Å; C167-A170 PolarHBondContact O-N 2.89Å; C167-V518 HydrophobicContact CB-CG2 4.27Å; C167-V518 WeakPolarHBondContact SG-CG2 3.24Å; C167-C524 HydrophobicContact CB-CB 4.36Å
168S47Very low66.9Low100 Ų10058.4 Ų58.470%0.69937%0.367SS*.G310 helixtrans-54.3-14.3-179.1-500000115.4G166G166-S168 PolarHBondContact O-N 3.17Å
169G50.4Low68Low46 Ų4656.8 Ų56.847%0.47435%0.353SS..G310 helixtrans-101.4-20.8-176.800000117.2G166 C167 V233G166-G169 PolarHBondContact O-N 2.69Å; C167-G169 PolarHBondContact O-N 3.41Å; G169-V233 VanDerWaalsContact O-CG1 3.25Å; G169-V233 WeakPolarHBondContact O-CG1 3.43Å
170A61.4Low69.6Low28 Ų2852.2 Ų52.223%0.23133%0.326CS..THydrogen-bonded Turntrans-129.2-18.3-148.200000116.5L162 C167L162-A170 HydrophobicContact CB-CB 4.18Å; L162-A170 HydrophobicContact CD2-CB 3.26Å; L162-A170 WeakPolarHBondContact CD2-O 3.4Å; L162-A170 HydrophobicContact CG-CB 4.29Å; C167-A170 PolarHBondContact O-N 2.89Å
171M80.1Confident71.5Confident17 Ų1746.7 Ų46.78%0.08430%0.297CS..  trans-104.8123.3176.9-174.2173.6-172.100111.2Q188 H192 I516 V518 C524 C526 V531M171-Q188 HydrophobicContact CE-CB 3.95Å; M171-Q188 HydrophobicContact CE-CG 4.03Å; M171-H192 WeakPolarHBondContact CE-CE1 3.23Å; M171-H192 WeakPolarHBondContact CE-NE2 3.23Å; M171-I516 HydrophobicContact CE-CB 4.23Å; M171-I516 HydrophobicContact CE-CG1 4Å; M171-I516 HydrophobicContact CE-CG2 4.25Å; M171-V518 HydrophobicContact SD-CG1 4Å; M171-C524 PolarHBondContact SD-SG 3.35Å; M171-C526 WeakPolarHBondContact CE-SG 3.46Å; M171-C526 VanDerWaalsContact SD-SG 3.67Å; M171-V531 HydrophobicContact CB-CG1 4.11Å; M171-V531 HydrophobicContact CG-CG1 4.24Å; M171-V531 HydrophobicContact SD-CG1 4.24Å
172R89.7Confident73.5Confident16 Ų1642.4 Ų42.46%0.0627%0.268CS..  trans-78.6135.4178-73.1-169.9178.4-175.616.8112Q188 E227 L228 K230 V232 T234R172-Q188 PolarHBondContact O-NE2 3.28Å; R172-E227 WeakPolarHBondContact CD-O 3.34Å; R172-E227 PolarHBondContact NE-O 3.06Å; R172-E227 PolarHBondContact NH1-O 3.17Å; R172-E227 IonicContact NH1-OE2 3.98Å; R172-E227 PolarHBondContact NH2-O 3.44Å; R172-E227 IonicContact NH2-OE2 3.64Å; R172-L228 HydrophobicContact CB-CD2 3.79Å; R172-K230 VanDerWaalsContact NH2-CB 3.27Å; R172-V232 WeakPolarHBondContact CG-O 3.48Å; R172-V232 PolarHBondContact NE-O 3.49Å; R172-T234 WeakPolarHBondContact CD-O 3.2Å
173G92.8Very high75.6Confident3 Ų340.5 Ų40.53%0.03126%0.258CS..  trans-71.6162.8166.400000112.4P235 F236 D528G173-P235 CarbonylContact O-C 3.46Å; G173-P235 VanDerWaalsContact O-CA 3.27Å; G173-P235 WeakPolarHBondContact O-CA 3.42Å; G173-F236 PolarHBondContact O-N 3.08Å; G173-D528 CarbonylContact C-O 3.55Å; G173-D528 VanDerWaalsContact CA-O 3.28Å; G173-D528 WeakPolarHBondContact CA-O 3.23Å
174L96.6Very high78Confident0 Ų036.9 Ų36.90%024%0.236CC..BIsolated β-bridgetrans-115.5130.4179.3-66.6176.7000110.7N176 N184 I187 Q188 L228 F236 P238 D528 Q529L174-N176 PolarHBondContact O-N 3.36Å; L174-N184 HydrophobicContact CB-CB 3.98Å; L174-N184 VanDerWaalsContact CB-CG 3.5Å; L174-N184 WeakPolarHBondContact CB-OD1 3.49Å; L174-N184 HydrophobicContact CD1-CB 3.98Å; L174-N184 WeakPolarHBondContact CD1-O 3.44Å; L174-N184 PolarHBondContact O-ND2 3.29Å; L174-I187 HydrophobicContact CD1-CB 3.95Å; L174-I187 HydrophobicContact CD1-CG2 3.81Å; L174-Q188 HydrophobicContact CD1-CG 4.04Å; L174-L228 HydrophobicContact CD2-CD2 3.83Å; L174-F236 CarbonylContact C-O 3.55Å; L174-F236 WeakPolarHBondContact CA-O 3.24Å; L174-F236 HydrophobicContact CD2-CB 4.06Å; L174-F236 HydrophobicContact CD2-CD1 3.72Å; L174-F236 HydrophobicContact CD2-CG 4.4Å; L174-P238 HydrophobicContact CD2-CG 4.47Å; L174-D528 PolarHBondContact N-O 3.5Å; L174-D528 CarbonylContact O-C 3.52Å; L174-D528 WeakPolarHBondContact O-CA 3.38Å; L174-D528 WeakPolarHBondContact O-CB 3.44Å; L174-Q529 PolarHBondContact O-N 2.97Å
175I96.6Very high80.4Confident55 Ų5533.5 Ų33.528%0.28222%0.215SC..  trans-72.5128.1179.6-70.5171.4000109.6M177 P235 F236 V237I175-M177 PolarHBondContact O-N 2.8Å; I175-P235 HydrophobicContact CD1-CB 3.97Å; I175-P235 HydrophobicContact CG1-CB 3.64Å; I175-F236 PolarHBondContact N-O 2.99Å; I175-V237 HydrophobicContact CB-CG2 4.02Å; I175-V237 HydrophobicContact CD1-CG2 3.43Å; I175-V237 VanDerWaalsContact CD1-CG2 3.43Å; I175-V237 HydrophobicContact CG1-CG2 4.18Å; I175-V237 HydrophobicContact CG2-CG2 4.43Å
176N92.7Very high82.7Confident55 Ų5525.7 Ų25.729%0.29417%0.173SC..  trans-73.1116.4170.2-167-28.3000109.7L174 G178 N179 T180 D528L174-N176 PolarHBondContact O-N 3.36Å; N176-G178 VanDerWaalsContact C-N 3.26Å; N176-G178 PolarHBondContact O-N 3.41Å; N176-G178 PolarHBondContact OD1-N 3.16Å; N176-G178 VanDerWaalsContact OD1-N 3.09Å; N176-N179 PolarHBondContact OD1-N 3.31Å; N176-T180 PolarHBondContact OD1-N 2.79Å; N176-T180 VanDerWaalsContact OD1-N 3.08Å; N176-T180 PolarHBondContact OD1-OG1 3.02Å; N176-D528 HydrophobicContact CB-CB 4.21Å; N176-D528 WeakPolarHBondContact CB-OD2 3.35Å; N176-D528 PolarHBondContact ND2-OD2 3.46Å
177M91Very high85.1Confident49 Ų4924.4 Ų24.424%0.24116%0.161CC..  trans-93.220.2-176.9-63.7173.1-72.200112.5I175 T180 V237 P238 N239 L242I175-M177 PolarHBondContact O-N 2.8Å; M177-T180 HydrophobicContact CB-CG2 4.05Å; M177-T180 PolarHBondContact N-OG1 3.35Å; M177-V237 HydrophobicContact CG-CG1 4.01Å; M177-V237 HydrophobicContact SD-CG1 3.48Å; M177-V237 WeakPolarHBondContact SD-CG1 3.39Å; M177-P238 HydrophobicContact CE-CB 4.45Å; M177-P238 HydrophobicContact CE-CG 3.66Å; M177-N239 VanDerWaalsContact SD-CA 3.58Å; M177-N239 HydrophobicContact SD-CB 3.77Å; M177-L242 HydrophobicContact CE-CB 4.14Å; M177-L242 HydrophobicContact CE-CD2 4.02Å; M177-L242 HydrophobicContact SD-CD2 4.49Å
178G85.7Confident87.3Confident37 Ų3724 Ų2438%0.38116%0.157SC..SBendtrans100.5103.2-175.500000110.7N176 T180N176-G178 VanDerWaalsContact C-N 3.26Å; N176-G178 PolarHBondContact O-N 3.41Å; N176-G178 PolarHBondContact OD1-N 3.16Å; N176-G178 VanDerWaalsContact OD1-N 3.09Å; G178-T180 WeakPolarHBondContact O-CG2 3.35Å; G178-T180 PolarHBondContact O-N 3.28Å; G178-T180 VanDerWaalsContact O-N 3.15Å
179N88.4Confident89.7Confident66 Ų6619.3 Ų19.335%0.35313%0.125SC..SBendtrans57.820.7-178.8-68.4-31.1000114.7N176 F182 Y255 Q257N176-N179 PolarHBondContact OD1-N 3.31Å; N179-F182 WeakPolarHBondContact O-CD1 3.22Å; N179-F182 WeakPolarHBondContact O-CE1 3.35Å; N179-Y255 PolarHBondContact ND2-O 3Å; N179-Q257 HydrophobicContact CB-CG 3.78Å; N179-Q257 PolarHBondContact OD1-NE2 2.7Å; N179-Q257 VanDerWaalsContact OD1-NE2 3.08Å
180T92.5Very high91.9Very high5 Ų517.1 Ų17.13%0.03110%0.102CC..  trans-97.815.7-176.268.60000113.9N176 M177 G178 F182 L183 N184 L242N176-T180 PolarHBondContact OD1-N 2.79Å; N176-T180 VanDerWaalsContact OD1-N 3.08Å; N176-T180 PolarHBondContact OD1-OG1 3.02Å; M177-T180 HydrophobicContact CB-CG2 4.05Å; M177-T180 PolarHBondContact N-OG1 3.35Å; G178-T180 WeakPolarHBondContact O-CG2 3.35Å; G178-T180 PolarHBondContact O-N 3.28Å; G178-T180 VanDerWaalsContact O-N 3.15Å; T180-F182 PolarHBondContact O-N 2.79Å; T180-L183 WeakPolarHBondContact O-CB 3.49Å; T180-L183 PolarHBondContact O-N 3.29Å; T180-N184 PolarHBondContact O-N 3.2Å; T180-N184 VanDerWaalsContact O-N 3.12Å; T180-L242 HydrophobicContact CG2-CD1 4.24Å; T180-L242 HydrophobicContact CG2-CD2 4.12Å
181C94.3Very high93.5Very high6 Ų615.8 Ų15.84%0.0419%0.091CC..Hα-helixtrans-62.6-30.6179.953.30000112.2L183 N184 V185 D528C181-L183 VanDerWaalsContact C-N 3.28Å; C181-L183 PolarHBondContact O-N 3.06Å; C181-N184 PolarHBondContact O-N 3.02Å; C181-V185 PolarHBondContact O-N 3.1Å; C181-D528 WeakPolarHBondContact CB-OD1 3.2Å
182F94.5Very high94Very high10 Ų1015.3 Ų15.34%0.0449%0.089CC..Hα-helixtrans-58-39.6172.270.5-95.1000112.2N179 T180 V185 V186 R258 A260 F263 Y512N179-F182 WeakPolarHBondContact O-CD1 3.22Å; N179-F182 WeakPolarHBondContact O-CE1 3.35Å; T180-F182 PolarHBondContact O-N 2.79Å; F182-V185 VanDerWaalsContact O-CG2 3.26Å; F182-V185 WeakPolarHBondContact O-CG2 3.46Å; F182-V186 WeakPolarHBondContact O-CG2 3.32Å; F182-V186 PolarHBondContact O-N 3.34Å; F182-R258 HydrophobicContact CD1-CB 4.06Å; F182-R258 HydrophobicContact CD2-CB 4.07Å; F182-R258 HydrophobicContact CE1-CB 3.91Å; F182-R258 HydrophobicContact CE1-CG 4.13Å; F182-R258 HydrophobicContact CE2-CB 3.96Å; F182-R258 HydrophobicContact CE2-CG 4.36Å; F182-R258 HydrophobicContact CG-CB 4.15Å; F182-R258 HydrophobicContact CZ-CB 3.88Å; F182-R258 HydrophobicContact CZ-CG 3.94Å; F182-A260 HydrophobicContact CB-CB 3.98Å; F182-F263 HydrophobicContact CD2-CB 3.75Å; F182-F263 HydrophobicContact CD2-CD1 4.08Å; F182-F263 AromaticContact CD2-CD2 3.89Å; F182-F263 HydrophobicContact CD2-CD2 3.89Å; F182-F263 HydrophobicContact CD2-CE2 4.49Å; F182-F263 AromaticContact CD2-CG 3.63Å; F182-F263 HydrophobicContact CD2-CG 3.63Å; F182-F263 HydrophobicContact CE2-CB 4.13Å; F182-F263 HydrophobicContact CE2-CD1 4.4Å; F182-F263 AromaticContact CE2-CD2 3.47Å; F182-F263 HydrophobicContact CE2-CD2 3.47Å; F182-F263 VanDerWaalsContact CE2-CD2 3.47Å; F182-F263 AromaticContact CE2-CE2 3.88Å; F182-F263 HydrophobicContact CE2-CE2 3.88Å; F182-F263 AromaticContact CE2-CG 3.75Å; F182-F263 HydrophobicContact CE2-CG 3.75Å; F182-Y512 HydrophobicContact CB-CD2 3.78Å; F182-Y512 HydrophobicContact CB-CE2 3.87Å; F182-Y512 HydrophobicContact CB-CG 4.47Å
183L95.5Very high94.2Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-69.2-45.2175.7175.5160.5000110T180 C181 V185 V186 I187 P238 L241 L242 F263T180-L183 WeakPolarHBondContact O-CB 3.49Å; T180-L183 PolarHBondContact O-N 3.29Å; C181-L183 VanDerWaalsContact C-N 3.28Å; C181-L183 PolarHBondContact O-N 3.06Å; L183-V185 PolarHBondContact O-N 2.79Å; L183-V186 PolarHBondContact O-N 2.78Å; L183-I187 HydrophobicContact CD2-CG1 3.85Å; L183-I187 HydrophobicContact CG-CG1 4.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.05Å; L183-P238 HydrophobicContact CD2-CB 4.16Å; L183-P238 HydrophobicContact CD2-CG 3.69Å; L183-L241 HydrophobicContact CD1-CD2 4.16Å; L183-L241 HydrophobicContact CD2-CD2 4.19Å; L183-L241 HydrophobicContact CG-CD2 4.26Å; L183-L242 HydrophobicContact CD1-CB 4.36Å; L183-L242 HydrophobicContact CD1-CD1 4Å; L183-F263 HydrophobicContact CB-CE1 3.93Å; L183-F263 HydrophobicContact CB-CE2 4.43Å; L183-F263 HydrophobicContact CB-CZ 3.83Å; L183-F263 HydrophobicContact CD1-CE2 4.32Å; L183-F263 HydrophobicContact CD1-CZ 3.8Å; L183-F263 HydrophobicContact CG-CE1 3.92Å; L183-F263 HydrophobicContact CG-CE2 4.44Å; L183-F263 HydrophobicContact CG-CZ 3.59Å
184N96.3Very high93.8Very high4 Ų414.4 Ų14.42%0.0218%0.084CC..Hα-helixtrans-58.3-48.2-176.3-70.5-13.2000111.5L174 T180 C181 V186 I187 Q188 D528L174-N184 HydrophobicContact CB-CB 3.98Å; L174-N184 VanDerWaalsContact CB-CG 3.5Å; L174-N184 WeakPolarHBondContact CB-OD1 3.49Å; L174-N184 HydrophobicContact CD1-CB 3.98Å; L174-N184 WeakPolarHBondContact CD1-O 3.44Å; L174-N184 PolarHBondContact O-ND2 3.29Å; T180-N184 PolarHBondContact O-N 3.2Å; T180-N184 VanDerWaalsContact O-N 3.12Å; C181-N184 PolarHBondContact O-N 3.02Å; N184-V186 VanDerWaalsContact C-N 3.35Å; N184-V186 PolarHBondContact O-N 3Å; N184-I187 PolarHBondContact O-N 3.13Å; N184-Q188 VanDerWaalsContact O-CG 3.31Å; N184-Q188 WeakPolarHBondContact O-CG 3.13Å; N184-Q188 PolarHBondContact O-N 2.96Å; N184-D528 PolarHBondContact ND2-OD1 2.7Å
185V97.3Very high93.2Very high4 Ų414.8 Ų14.82%0.0249%0.086CC..Hα-helixtrans-64.8-38.5-179.4-63.80000112.9C181 F182 L183 Q188 A189 A260 L501 Y512 A514C181-V185 PolarHBondContact O-N 3.1Å; F182-V185 VanDerWaalsContact O-CG2 3.26Å; F182-V185 WeakPolarHBondContact O-CG2 3.46Å; L183-V185 PolarHBondContact O-N 2.79Å; V185-Q188 PolarHBondContact O-N 3.11Å; V185-A189 PolarHBondContact O-N 3.29Å; V185-A260 HydrophobicContact CG2-CB 4.11Å; V185-L501 HydrophobicContact CB-CD2 4.06Å; V185-L501 HydrophobicContact CG2-CD1 4.22Å; V185-Y512 HydrophobicContact CG2-CD1 4.4Å; V185-Y512 HydrophobicContact CG2-CG 4.3Å; V185-A514 HydrophobicContact CB-CB 3.92Å; V185-A514 HydrophobicContact CG1-CB 3.92Å
186V98Very high92.9Very high0 Ų012.2 Ų12.20%07%0.074CC..Hα-helixtrans-67.1-42.6177.8164.80000110.9F182 L183 N184 A189 L190 A260 F263 L264 L267 L501F182-V186 WeakPolarHBondContact O-CG2 3.32Å; F182-V186 PolarHBondContact O-N 3.34Å; L183-V186 PolarHBondContact O-N 2.78Å; N184-V186 VanDerWaalsContact C-N 3.35Å; N184-V186 PolarHBondContact O-N 3Å; V186-A189 PolarHBondContact O-N 3.2Å; V186-L190 HydrophobicContact CG1-CD1 3.87Å; V186-L190 HydrophobicContact CG1-CG 4.21Å; V186-L190 WeakPolarHBondContact O-CB 3.33Å; V186-L190 WeakPolarHBondContact O-CG 3.26Å; V186-L190 PolarHBondContact O-N 2.85Å; V186-A260 HydrophobicContact CG2-CB 4.36Å; V186-A260 WeakPolarHBondContact CG2-O 3.49Å; V186-F263 HydrophobicContact CB-CD1 3.74Å; V186-F263 HydrophobicContact CB-CE1 3.93Å; V186-F263 HydrophobicContact CG1-CD1 3.72Å; V186-F263 HydrophobicContact CG1-CE1 3.76Å; V186-F263 HydrophobicContact CG2-CD1 3.88Å; V186-L264 HydrophobicContact CG1-CB 4.17Å; V186-L264 HydrophobicContact CG1-CD1 3.8Å; V186-L264 HydrophobicContact CG2-CB 3.86Å; V186-L267 HydrophobicContact CG1-CD2 4.03Å; V186-L501 HydrophobicContact CG2-CD1 4.22Å
187I97.6Very high92.8Very high0 Ų011.1 Ų11.10%07%0.065CC..Hα-helixtrans-62.8-45.6176.1-68.7-61.5000111L174 L183 N184 A189 L190 T191 M221 I224 L228 L241 L267L174-I187 HydrophobicContact CD1-CB 3.95Å; L174-I187 HydrophobicContact CD1-CG2 3.81Å; L183-I187 HydrophobicContact CD2-CG1 3.85Å; L183-I187 HydrophobicContact CG-CG1 4.29Å; L183-I187 WeakPolarHBondContact O-CG1 3.43Å; L183-I187 PolarHBondContact O-N 3.05Å; N184-I187 PolarHBondContact O-N 3.13Å; I187-A189 VanDerWaalsContact C-N 3.31Å; I187-A189 PolarHBondContact O-N 2.88Å; I187-L190 PolarHBondContact O-N 3.42Å; I187-T191 HydrophobicContact CG2-CG2 4.11Å; I187-T191 WeakPolarHBondContact O-CG2 3.12Å; I187-T191 PolarHBondContact O-N 3.14Å; I187-T191 PolarHBondContact O-OG1 3.04Å; I187-M221 HydrophobicContact CD1-CE 3.75Å; I187-M221 HydrophobicContact CD1-SD 3.63Å; I187-I224 HydrophobicContact CG2-CG2 3.65Å; I187-L228 HydrophobicContact CG2-CD1 4.1Å; I187-L241 HydrophobicContact CD1-CD2 3.33Å; I187-L241 HydrophobicContact CG1-CD2 3.69Å; I187-L267 HydrophobicContact CD1-CD2 3.87Å
188Q96Very high92.5Very high3 Ų310.9 Ų10.91%0.0147%0.065CC..Hα-helixtrans-59.1-43.1176.6-64.4-6620.500111.8M171 R172 L174 N184 V185 H192 I516 C526M171-Q188 HydrophobicContact CE-CB 3.95Å; M171-Q188 HydrophobicContact CE-CG 4.03Å; R172-Q188 PolarHBondContact O-NE2 3.28Å; L174-Q188 HydrophobicContact CD1-CG 4.04Å; N184-Q188 VanDerWaalsContact O-CG 3.31Å; N184-Q188 WeakPolarHBondContact O-CG 3.13Å; N184-Q188 PolarHBondContact O-N 2.96Å; V185-Q188 PolarHBondContact O-N 3.11Å; Q188-H192 WeakPolarHBondContact O-CB 3.45Å; Q188-H192 PolarHBondContact O-N 3.33Å; Q188-H192 PolarHBondContact O-ND1 2.97Å; Q188-I516 HydrophobicContact CB-CD1 4.27Å; Q188-I516 HydrophobicContact CB-CG1 4.2Å; Q188-C526 HydrophobicContact CG-CB 4.09Å
189A97.3Very high92.5Very high1 Ų110.5 Ų10.51%0.0085%0.052CC..Hα-helixtrans-65.1-48.317700000112.9V185 V186 I187 H192 T193 A499 L501 I516 L548V185-A189 PolarHBondContact O-N 3.29Å; V186-A189 PolarHBondContact O-N 3.2Å; I187-A189 VanDerWaalsContact C-N 3.31Å; I187-A189 PolarHBondContact O-N 2.88Å; A189-H192 PolarHBondContact O-N 3.34Å; A189-T193 PolarHBondContact O-N 3.45Å; A189-T193 PolarHBondContact O-OG1 3.06Å; A189-A499 HydrophobicContact CB-CB 4.01Å; A189-L501 HydrophobicContact CB-CD2 4.01Å; A189-I516 HydrophobicContact CB-CD1 4.31Å; A189-L548 HydrophobicContact CB-CD1 4.18Å; A189-L548 HydrophobicContact CB-CD2 4.46Å
190L96.3Very high92.6Very high0 Ų07.6 Ų7.60%04%0.036CC..Hα-helixtrans-65.7-44.4-177.7-71.2-176.6000112.1V186 I187 H192 T193 L196 M221 L264 L267 L268 F373V186-L190 HydrophobicContact CG1-CD1 3.87Å; V186-L190 HydrophobicContact CG1-CG 4.21Å; V186-L190 WeakPolarHBondContact O-CB 3.33Å; V186-L190 WeakPolarHBondContact O-CG 3.26Å; V186-L190 PolarHBondContact O-N 2.85Å; I187-L190 PolarHBondContact O-N 3.42Å; L190-H192 PolarHBondContact O-N 3.09Å; L190-T193 VanDerWaalsContact O-CB 3.28Å; L190-T193 WeakPolarHBondContact O-CB 3.47Å; L190-T193 PolarHBondContact O-N 3.16Å; L190-T193 VanDerWaalsContact O-N 3.13Å; L190-T193 PolarHBondContact O-OG1 3.48Å; L190-L196 HydrophobicContact CB-CD2 4.19Å; L190-L196 HydrophobicContact CD2-CD2 4.21Å; L190-M221 HydrophobicContact CB-CE 4.29Å; L190-M221 HydrophobicContact CD1-CE 4.41Å; L190-L264 HydrophobicContact CD1-CD1 4.09Å; L190-L264 HydrophobicContact CD2-CD1 3.69Å; L190-L264 HydrophobicContact CG-CD1 3.91Å; L190-L267 HydrophobicContact CD1-CD2 3.66Å; L190-L267 HydrophobicContact CD1-CG 4.21Å; L190-L268 HydrophobicContact CD1-CD2 4.28Å; L190-L268 HydrophobicContact CD2-CD2 3.75Å; L190-L268 HydrophobicContact CD2-CG 4.39Å; L190-F373 HydrophobicContact CD2-CE1 4.38Å; L190-F373 HydrophobicContact CD2-CE2 4.3Å; L190-F373 HydrophobicContact CD2-CZ 3.68Å
191T93.6Very high92.3Very high0 Ų010.4 Ų10.40%05%0.051CC..Hα-helixtrans-72.3-11179.6660000113.4I187 R197 M221 I224 T225 L228I187-T191 HydrophobicContact CG2-CG2 4.11Å; I187-T191 WeakPolarHBondContact O-CG2 3.12Å; I187-T191 PolarHBondContact O-N 3.14Å; I187-T191 PolarHBondContact O-OG1 3.04Å; T191-R197 VanDerWaalsContact O-CB 3.28Å; T191-R197 WeakPolarHBondContact O-CB 3.34Å; T191-R197 WeakPolarHBondContact O-CG 3.4Å; T191-M221 HydrophobicContact CG2-CE 4.25Å; T191-I224 HydrophobicContact CG2-CG2 4.39Å; T191-T225 WeakPolarHBondContact CG2-OG1 3.23Å; T191-L228 HydrophobicContact CG2-CD1 4.01Å; T191-L228 WeakPolarHBondContact OG1-CD1 3.37Å
192H92Very high91.7Very high7 Ų712.8 Ų12.83%0.0327%0.071CC..THydrogen-bonded Turntrans-1045.1173.6-69.773.7000113.1M171 Q188 A189 L190 P194 Y229 I516M171-H192 WeakPolarHBondContact CE-CE1 3.23Å; M171-H192 WeakPolarHBondContact CE-NE2 3.23Å; Q188-H192 WeakPolarHBondContact O-CB 3.45Å; Q188-H192 PolarHBondContact O-N 3.33Å; Q188-H192 PolarHBondContact O-ND1 2.97Å; A189-H192 PolarHBondContact O-N 3.34Å; L190-H192 PolarHBondContact O-N 3.09Å; H192-P194 VanDerWaalsContact O-CD 3.3Å; H192-P194 WeakPolarHBondContact O-CD 3.46Å; H192-Y229 PolarHBondContact CD2-OH 2.86Å; H192-Y229 PolarHBondContact NE2-OH 2.78Å; H192-I516 HydrophobicContact CB-CG2 3.59Å
193T92.6Very high91Very high1 Ų115 Ų151%0.0068%0.084CC..SBendtrans-75.7110.7173.4-59.10000108.8A189 L190 V195 L196 R197 V372 F373 V451 Y498A189-T193 PolarHBondContact O-N 3.45Å; A189-T193 PolarHBondContact O-OG1 3.06Å; L190-T193 VanDerWaalsContact O-CB 3.28Å; L190-T193 WeakPolarHBondContact O-CB 3.47Å; L190-T193 PolarHBondContact O-N 3.16Å; L190-T193 VanDerWaalsContact O-N 3.13Å; L190-T193 PolarHBondContact O-OG1 3.48Å; T193-V195 PolarHBondContact O-N 3.05Å; T193-V195 VanDerWaalsContact O-N 3.15Å; T193-L196 HydrophobicContact CG2-CB 4.12Å; T193-L196 PolarHBondContact O-N 3.26Å; T193-L196 VanDerWaalsContact O-N 3.13Å; T193-R197 WeakPolarHBondContact O-CB 3.28Å; T193-R197 PolarHBondContact O-N 2.58Å; T193-V372 HydrophobicContact CG2-CG1 3.83Å; T193-F373 HydrophobicContact CG2-CZ 3.95Å; T193-V451 HydrophobicContact CG2-CG2 3.65Å; T193-Y498 PolarHBondContact OG1-OH 2.8Å
194P84.7Confident90.1Very high0 Ų018.9 Ų18.90%010%0.104CC..Hα-helixtrans-53.2-46.8-161.7-30.135.6000115.4H192 D198 R557 I558H192-P194 VanDerWaalsContact O-CD 3.3Å; H192-P194 WeakPolarHBondContact O-CD 3.46Å; P194-D198 WeakPolarHBondContact O-CB 3.24Å; P194-D198 PolarHBondContact O-N 2.74Å; P194-R557 HydrophobicContact CB-CB 4.19Å; P194-I558 HydrophobicContact CG-CD1 4.09Å; P194-I558 HydrophobicContact CG-CG1 3.85Å
195V84.7Confident89.5Confident7 Ų719.4 Ų19.44%0.04211%0.106CC..Hα-helixtrans-68.9-44.7-178.4-177.70000111.8L138 T193 Y199 I368 V372 L554L138-V195 HydrophobicContact CD2-CG1 4.22Å; L138-V195 HydrophobicContact CD2-CG2 3.73Å; T193-V195 PolarHBondContact O-N 3.05Å; T193-V195 VanDerWaalsContact O-N 3.15Å; V195-Y199 WeakPolarHBondContact O-CB 3.44Å; V195-Y199 PolarHBondContact O-N 2.64Å; V195-Y199 VanDerWaalsContact O-N 3.16Å; V195-I368 HydrophobicContact CG1-CD1 3.83Å; V195-V372 HydrophobicContact CB-CG2 3.72Å; V195-V372 HydrophobicContact CG1-CG2 3.52Å; V195-L554 HydrophobicContact CG2-CD1 3.76Å; V195-L554 HydrophobicContact CG2-CD2 3.52Å; V195-L554 HydrophobicContact CG2-CG 4.23Å
196L90.6Very high88.5Confident2 Ų227.7 Ų27.71%0.0114%0.137CC..Hα-helixtrans-67.4-44.1177.1178.162.6000111.3L190 T193 D198 Y199 L200 I368 F373L190-L196 HydrophobicContact CB-CD2 4.19Å; L190-L196 HydrophobicContact CD2-CD2 4.21Å; T193-L196 HydrophobicContact CG2-CB 4.12Å; T193-L196 PolarHBondContact O-N 3.26Å; T193-L196 VanDerWaalsContact O-N 3.13Å; L196-D198 PolarHBondContact O-N 2.74Å; L196-Y199 WeakPolarHBondContact O-CB 3.41Å; L196-Y199 PolarHBondContact O-N 2.8Å; L196-L200 HydrophobicContact CD1-CD1 4.02Å; L196-L200 HydrophobicContact CD1-CG 4.09Å; L196-L200 HydrophobicContact CD2-CD1 4.45Å; L196-L200 HydrophobicContact CG-CD1 3.83Å; L196-L200 HydrophobicContact CG-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.3Å; L196-L200 VanDerWaalsContact O-CG 3.22Å; L196-L200 WeakPolarHBondContact O-CG 3.14Å; L196-L200 PolarHBondContact O-N 2.73Å; L196-I368 HydrophobicContact CD1-CG1 4.26Å; L196-I368 HydrophobicContact CD1-CG2 4.15Å; L196-F373 HydrophobicContact CD2-CE2 4.1Å; L196-F373 HydrophobicContact CD2-CZ 4.47Å
197R90.1Very high87.7Confident32 Ų3229.5 Ų29.512%0.12115%0.149CC..Hα-helixtrans-54.5-52.9175.8175.1-164.267.4-165.34.3110.9T191 T193 Y199 L200 L201 T225 Y229 R557T191-R197 VanDerWaalsContact O-CB 3.28Å; T191-R197 WeakPolarHBondContact O-CB 3.34Å; T191-R197 WeakPolarHBondContact O-CG 3.4Å; T193-R197 WeakPolarHBondContact O-CB 3.28Å; T193-R197 PolarHBondContact O-N 2.58Å; R197-Y199 VanDerWaalsContact C-N 3.28Å; R197-Y199 PolarHBondContact O-N 3.5Å; R197-L200 PolarHBondContact O-N 3.2Å; R197-L201 HydrophobicContact CG-CD1 3.85Å; R197-L201 HydrophobicContact CG-CG 4.37Å; R197-L201 WeakPolarHBondContact O-CB 3.48Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 3.48Å; R197-T225 HydrophobicContact CG-CG2 4.44Å; R197-Y229 WeakPolarHBondContact CD-OH 3.41Å; R197-Y229 HydrophobicContact CG-CE2 4.03Å; R197-R557 PolarHBondContact NH2-O 3.13Å
198D85.8Confident86.5Confident44 Ų4435.6 Ų35.624%0.23519%0.192CC..Hα-helixtrans-63.8-38.9-176.1-65.2-7000110.7P194 L196 A202 R557P194-D198 WeakPolarHBondContact O-CB 3.24Å; P194-D198 PolarHBondContact O-N 2.74Å; L196-D198 PolarHBondContact O-N 2.74Å; D198-A202 VanDerWaalsContact O-CB 3.22Å; D198-A202 WeakPolarHBondContact O-CB 3.21Å; D198-A202 PolarHBondContact O-N 3.5Å; D198-R557 WeakPolarHBondContact OD2-CD 3.48Å; D198-R557 IonicContact OD2-CZ 3.64Å; D198-R557 IonicContact OD2-NE 2.65Å; D198-R557 IonicContact OD2-NH1 3.41Å; D198-R557 PolarHBondContact OD2-NH1 3.35Å
199Y85.3Confident85.1Confident28 Ų2837.9 Ų37.911%0.1121%0.208CC..Hα-helixtrans-60.2-47.5172.4173.5-87.9000112.4V195 L196 R197 A202 D203 L204 L275 E278 I368V195-Y199 WeakPolarHBondContact O-CB 3.44Å; V195-Y199 PolarHBondContact O-N 2.64Å; V195-Y199 VanDerWaalsContact O-N 3.16Å; L196-Y199 WeakPolarHBondContact O-CB 3.41Å; L196-Y199 PolarHBondContact O-N 2.8Å; R197-Y199 VanDerWaalsContact C-N 3.28Å; R197-Y199 PolarHBondContact O-N 3.5Å; Y199-A202 PolarHBondContact O-N 3.1Å; Y199-D203 PolarHBondContact O-N 3.31Å; Y199-L204 HydrophobicContact CD2-CB 4.06Å; Y199-L204 HydrophobicContact CD2-CD1 3.9Å; Y199-L204 HydrophobicContact CE2-CB 3.71Å; Y199-L204 HydrophobicContact CE2-CD1 4.26Å; Y199-L275 HydrophobicContact CE1-CD2 3.91Å; Y199-L275 WeakPolarHBondContact OH-CD2 3.48Å; Y199-E278 PolarHBondContact OH-OE1 2.86Å; Y199-E278 PolarHBondContact OH-OE2 3.28Å; Y199-I368 HydrophobicContact CD1-CB 4.28Å; Y199-I368 HydrophobicContact CD1-CG1 4.15Å; Y199-I368 HydrophobicContact CD1-CG2 3.8Å; Y199-I368 HydrophobicContact CD2-CB 4.11Å; Y199-I368 HydrophobicContact CD2-CD1 4.2Å; Y199-I368 HydrophobicContact CD2-CG1 4.03Å; Y199-I368 HydrophobicContact CD2-CG2 4.42Å; Y199-I368 HydrophobicContact CE1-CB 4.45Å; Y199-I368 HydrophobicContact CE1-CG2 3.73Å; Y199-I368 HydrophobicContact CE2-CB 4.27Å; Y199-I368 HydrophobicContact CE2-CG2 4.35Å; Y199-I368 HydrophobicContact CG-CB 4.13Å; Y199-I368 HydrophobicContact CG-CD1 4.22Å; Y199-I368 HydrophobicContact CG-CG1 3.75Å; Y199-I368 HydrophobicContact CG-CG2 4.16Å
200L89Confident83.2Confident5 Ų544.2 Ų44.23%0.02625%0.249CC..Hα-helixtrans-67.7-36.6-179.4-67.6173.1000112.1L196 R197 D203 M221 V222 T225L196-L200 HydrophobicContact CD1-CD1 4.02Å; L196-L200 HydrophobicContact CD1-CG 4.09Å; L196-L200 HydrophobicContact CD2-CD1 4.45Å; L196-L200 HydrophobicContact CG-CD1 3.83Å; L196-L200 HydrophobicContact CG-CG 4.32Å; L196-L200 WeakPolarHBondContact O-CB 3.3Å; L196-L200 VanDerWaalsContact O-CG 3.22Å; L196-L200 WeakPolarHBondContact O-CG 3.14Å; L196-L200 PolarHBondContact O-N 2.73Å; R197-L200 PolarHBondContact O-N 3.2Å; L200-D203 PolarHBondContact O-N 3.45Å; L200-M221 HydrophobicContact CD1-CB 4.19Å; L200-M221 HydrophobicContact CD1-CE 4.48Å; L200-M221 HydrophobicContact CD2-CB 3.88Å; L200-V222 HydrophobicContact CD2-CG2 3.71Å; L200-T225 HydrophobicContact CB-CG2 4.03Å; L200-T225 VanDerWaalsContact CD1-OG1 3.29Å; L200-T225 WeakPolarHBondContact CD1-OG1 3.22Å
201L86.6Confident81.4Confident64 Ų6449.7 Ų49.734%0.33528%0.283SS..Hα-helixtrans-71.5-32.7175.9-73.1176.8000112.7R197 D203 T225 Y229R197-L201 HydrophobicContact CG-CD1 3.85Å; R197-L201 HydrophobicContact CG-CG 4.37Å; R197-L201 WeakPolarHBondContact O-CB 3.48Å; R197-L201 WeakPolarHBondContact O-CG 3.38Å; R197-L201 PolarHBondContact O-N 3.48Å; L201-D203 PolarHBondContact O-N 3.19Å; L201-T225 HydrophobicContact CD2-CG2 3.73Å; L201-T225 HydrophobicContact CG-CG2 3.77Å; L201-Y229 HydrophobicContact CD1-CD1 4.42Å; L201-Y229 HydrophobicContact CD1-CD2 4.34Å; L201-Y229 HydrophobicContact CD1-CG 4.26Å; L201-Y229 HydrophobicContact CD2-CD2 4.14Å; L201-Y229 HydrophobicContact CD2-CG 4.18Å
202A82Confident79.8Confident57 Ų5754.6 Ų54.647%0.47130%0.301SS..THydrogen-bonded Turntrans-74.5-3177.300000113.7D198 Y199 L204D198-A202 VanDerWaalsContact O-CB 3.22Å; D198-A202 WeakPolarHBondContact O-CB 3.21Å; D198-A202 PolarHBondContact O-N 3.5Å; Y199-A202 PolarHBondContact O-N 3.1Å; A202-L204 HydrophobicContact CB-CD1 4.01Å; A202-L204 HydrophobicContact CB-CD2 4.18Å; A202-L204 HydrophobicContact CB-CG 3.69Å; A202-L204 PolarHBondContact O-N 2.99Å
203D79.6Confident78.8Confident57 Ų5755.6 Ų55.631%0.30531%0.309SS..THydrogen-bonded Turntrans51.640.2177.6-153.7-3.1000112.1Y199 L200 L201 H205 R206 R212 V222 Q226Y199-D203 PolarHBondContact O-N 3.31Å; L200-D203 PolarHBondContact O-N 3.45Å; L201-D203 PolarHBondContact O-N 3.19Å; D203-H205 VanDerWaalsContact C-N 3.28Å; D203-H205 PolarHBondContact O-N 2.88Å; D203-R206 PolarHBondContact O-NH1 2.9Å; D203-R212 IonicContact OD1-CZ 3.53Å; D203-R212 IonicContact OD1-NH2 3.99Å; D203-R212 PolarHBondContact OD1-NH2 2.73Å; D203-R212 IonicContact OD2-CZ 3.46Å; D203-R212 IonicContact OD2-NH2 2.64Å; D203-R212 PolarHBondContact OD2-NH2 3.43Å; D203-V222 HydrophobicContact CB-CG1 4.47Å; D203-V222 WeakPolarHBondContact OD1-CG1 3.05Å; D203-Q226 PolarHBondContact OD2-NE2 3.09Å
204L77.9Confident77.8Confident80 Ų8064.3 Ų64.342%0.41934%0.342SS..  trans-76-20.6-175.6-64.9179.5000112.4Y199 A202 R206Y199-L204 HydrophobicContact CD2-CB 4.06Å; Y199-L204 HydrophobicContact CD2-CD1 3.9Å; Y199-L204 HydrophobicContact CE2-CB 3.71Å; Y199-L204 HydrophobicContact CE2-CD1 4.26Å; A202-L204 HydrophobicContact CB-CD1 4.01Å; A202-L204 HydrophobicContact CB-CD2 4.18Å; A202-L204 HydrophobicContact CB-CG 3.69Å; A202-L204 PolarHBondContact O-N 2.99Å; L204-R206 PolarHBondContact O-N 3.11Å; L204-R206 PolarHBondContact O-NH1 3.18Å
205H81.9Confident77.8Confident16 Ų1667.6 Ų67.67%0.07436%0.359CS..  trans-61.1124.4-178.8175.651.7000112.1D203 C216 C219 V222 H274 E278D203-H205 VanDerWaalsContact C-N 3.28Å; D203-H205 PolarHBondContact O-N 2.88Å; H205-C216 PolarHBondContact NE2-SG 3.19Å; H205-C219 PolarHBondContact CD2-SG 3.11Å; H205-C219 PolarHBondContact NE2-SG 2.85Å; H205-V222 HydrophobicContact CB-CG2 4.21Å; H205-H274 PolarHBondContact CE1-O 3.31Å; H205-E278 VanDerWaalsContact CA-OE1 3.23Å; H205-E278 WeakPolarHBondContact CA-OE1 3.46Å; H205-E278 IonicContact CE1-OE1 3.66Å; H205-E278 IonicContact CG-OE1 3.8Å; H205-E278 IonicContact ND1-OE1 3.77Å; H205-E278 PolarHBondContact ND1-OE1 3.05Å
206R77.4Confident78Confident178 Ų17867.7 Ų67.767%0.67236%0.36SS*.  trans-10695.3178.6-66.4-73-177.6-89.70.3109.7D203 L204 E278D203-R206 PolarHBondContact O-NH1 2.9Å; L204-R206 PolarHBondContact O-N 3.11Å; L204-R206 PolarHBondContact O-NH1 3.18Å; R206-E278 PolarHBondContact N-OE1 3.42Å
207C80.8Confident78Confident38 Ų3867.6 Ų67.626%0.25736%0.36SS..  trans-79.9133.1178.4-167.40000111.6S209 C219C207-S209 PolarHBondContact O-N 3.48Å; C207-C219 VanDerWaalsContact CB-SG 3.53Å
208S72.2Confident78Confident128 Ų12866.1 Ų66.190%0.89536%0.355SS*.SBendtrans-62.4-20.6174-46.30000113.2P210S208-P210 WeakPolarHBondContact O-CD 3.14Å
209S67.1Low78.2Confident50 Ų5064.3 Ų64.335%0.3535%0.345SS..SBendtrans-84.5115.4173.2-61.30000110C207 T211C207-S209 PolarHBondContact O-N 3.48Å; S209-T211 CarbonylContact O-C 3.59Å; S209-T211 PolarHBondContact O-N 2.85Å
210P56.9Low78.5Confident135 Ų13563.2 Ų63.288%0.87734%0.341SS*.SBendtrans-63.1-30-17121.6-31.9000113.2S208S208-P210 WeakPolarHBondContact O-CD 3.14Å
211T57.9Low78.7Confident115 Ų11563 Ų6371%0.70634%0.34SS*.SBendtrans-89.5113161.757.60000106.9S209 S213S209-T211 CarbonylContact O-C 3.59Å; S209-T211 PolarHBondContact O-N 2.85Å; T211-S213 VanDerWaalsContact C-N 3.34Å; T211-S213 VanDerWaalsContact O-CA 3.28Å; T211-S213 WeakPolarHBondContact O-CA 3.24Å; T211-S213 PolarHBondContact O-N 2.98Å
212R61.4Low78.9Confident103 Ų10360 Ų6039%0.38932%0.324SS..  trans-28.296.9167.7-176.7178.5-72.2-178.11.6109.5D203 R214 C219D203-R212 IonicContact OD1-CZ 3.53Å; D203-R212 IonicContact OD1-NH2 3.99Å; D203-R212 PolarHBondContact OD1-NH2 2.73Å; D203-R212 IonicContact OD2-CZ 3.46Å; D203-R212 IonicContact OD2-NH2 2.64Å; D203-R212 PolarHBondContact OD2-NH2 3.43Å; R212-R214 PolarHBondContact O-N 3.18Å; R212-C219 HydrophobicContact CG-CB 3.4Å; R212-C219 VanDerWaalsContact CG-CB 3.4Å; R212-C219 VanDerWaalsContact CG-SG 3.57Å
213S69.7Low79.4Confident27 Ų2759.9 Ų59.919%0.18931%0.312CS..  trans-67.4130.5-164.3174.90000107.9T211 N215 C216T211-S213 VanDerWaalsContact C-N 3.34Å; T211-S213 VanDerWaalsContact O-CA 3.28Å; T211-S213 WeakPolarHBondContact O-CA 3.24Å; T211-S213 PolarHBondContact O-N 2.98Å; S213-N215 PolarHBondContact O-N 2.78Å; S213-N215 WeakPolarHBondContact OG-CB 3.41Å; S213-N215 PolarHBondContact OG-N 3.15Å; S213-N215 VanDerWaalsContact OG-N 3.13Å; S213-C216 PolarHBondContact O-N 3.39Å
214R73.2Confident80.1Confident184 Ų18457.2 Ų57.269%0.69430%0.297SS*.THydrogen-bonded Turntrans-61.3-12.9171.2-72.7-172.4178145.1-0.2112.3R212R212-R214 PolarHBondContact O-N 3.18Å
215N82.9Confident80.7Confident69 Ų6953.4 Ų53.437%0.36928%0.277SS..THydrogen-bonded Turntrans-95-10.8176.4-55.7-12000112.2S213 L217 L247 H248S213-N215 PolarHBondContact O-N 2.78Å; S213-N215 WeakPolarHBondContact OG-CB 3.41Å; S213-N215 PolarHBondContact OG-N 3.15Å; S213-N215 VanDerWaalsContact OG-N 3.13Å; N215-L217 PolarHBondContact O-N 3.42Å; N215-L247 HydrophobicContact CB-CD2 4.13Å; N215-H248 PolarHBondContact O-NE2 3.47Å
216C89.3Confident81.1Confident10 Ų1055.3 Ų55.37%0.06829%0.286CS..  trans-84.1114.5176.4177.70000109.9H205 S213 A218 C219 E220H205-C216 PolarHBondContact NE2-SG 3.19Å; S213-C216 PolarHBondContact O-N 3.39Å; C216-A218 VanDerWaalsContact C-N 3.3Å; C216-A218 PolarHBondContact O-N 2.74Å; C216-C219 HydrophobicContact CB-CB 3.79Å; C216-C219 WeakPolarHBondContact O-CB 3.19Å; C216-C219 PolarHBondContact O-N 2.94Å; C216-C219 PolarHBondContact SG-N 3.46Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C216-E220 PolarHBondContact O-N 3.24Å
217L90.9Very high81.7Confident0 Ų048.9 Ų48.90%026%0.264CS..Hα-helixtrans-67.4-30.5180-67.3162.8000112.3N215 E220 M221 L241 A244 I245 H248 L270 I271 H274N215-L217 PolarHBondContact O-N 3.42Å; L217-E220 PolarHBondContact O-N 3.2Å; L217-M221 VanDerWaalsContact O-CG 3.29Å; L217-M221 WeakPolarHBondContact O-CG 3.23Å; L217-M221 PolarHBondContact O-N 3.09Å; L217-L241 HydrophobicContact CD2-CD1 3.76Å; L217-A244 HydrophobicContact CD2-CB 3.58Å; L217-A244 HydrophobicContact CG-CB 4.39Å; L217-I245 HydrophobicContact CD2-CG1 3.66Å; L217-H248 HydrophobicContact CD1-CB 4.28Å; L217-L270 HydrophobicContact CD1-CB 3.51Å; L217-L270 HydrophobicContact CD1-CD1 3.78Å; L217-L270 HydrophobicContact CD1-CG 4.22Å; L217-I271 HydrophobicContact CB-CG2 3.87Å; L217-H274 WeakPolarHBondContact CB-ND1 3.48Å; L217-H274 PolarHBondContact N-ND1 3.34Å
218A90Very high82.2Confident1 Ų147.4 Ų47.41%0.00825%0.253CS..Hα-helixtrans-65.5-46.2174.300000111.6C216 E220 M221 V222 H274 L275C216-A218 VanDerWaalsContact C-N 3.3Å; C216-A218 PolarHBondContact O-N 2.74Å; A218-E220 VanDerWaalsContact C-N 3.26Å; A218-E220 PolarHBondContact O-N 3.18Å; A218-M221 PolarHBondContact O-N 3.13Å; A218-V222 WeakPolarHBondContact O-CG2 3.28Å; A218-V222 PolarHBondContact O-N 3.15Å; A218-H274 HydrophobicContact CB-CB 3.98Å; A218-L275 HydrophobicContact CB-CD2 3.76Å; A218-L275 HydrophobicContact CB-CG 3.92Å
219C89.8Confident82.8Confident5 Ų542.7 Ų42.73%0.03422%0.216CC..Hα-helixtrans-56.5-40.8171.7-74.20000113H205 C207 R212 C216 R223H205-C219 PolarHBondContact CD2-SG 3.11Å; H205-C219 PolarHBondContact NE2-SG 2.85Å; C207-C219 VanDerWaalsContact CB-SG 3.53Å; R212-C219 HydrophobicContact CG-CB 3.4Å; R212-C219 VanDerWaalsContact CG-CB 3.4Å; R212-C219 VanDerWaalsContact CG-SG 3.57Å; C216-C219 HydrophobicContact CB-CB 3.79Å; C216-C219 WeakPolarHBondContact O-CB 3.19Å; C216-C219 PolarHBondContact O-N 2.94Å; C216-C219 PolarHBondContact SG-N 3.46Å; C216-C219 VanDerWaalsContact SG-SG 3.62Å; C219-R223 WeakPolarHBondContact O-CB 3.19Å; C219-R223 PolarHBondContact O-N 2.73Å
220E92.1Very high83.6Confident6 Ų644.5 Ų44.53%0.02822%0.218CC..Hα-helixtrans-70.5-41.1179.8-178.659.3-167.900111.5C216 L217 A218 V222 R223 I224 N240 L241C216-E220 PolarHBondContact O-N 3.24Å; L217-E220 PolarHBondContact O-N 3.2Å; A218-E220 VanDerWaalsContact C-N 3.26Å; A218-E220 PolarHBondContact O-N 3.18Å; E220-V222 PolarHBondContact O-N 2.85Å; E220-R223 WeakPolarHBondContact O-CB 3.17Å; E220-R223 PolarHBondContact O-N 2.96Å; E220-R223 IonicContact OE1-CZ 3.44Å; E220-R223 IonicContact OE1-NE 2.69Å; E220-R223 IonicContact OE1-NH2 3.89Å; E220-R223 PolarHBondContact OE1-NH2 3.2Å; E220-R223 IonicContact OE2-CZ 2.86Å; E220-R223 IonicContact OE2-NE 3.99Å; E220-R223 PolarHBondContact OE2-NE 3.04Å; E220-R223 IonicContact OE2-NH2 3.53Å; E220-R223 PolarHBondContact OE2-NH2 3.08Å; E220-I224 HydrophobicContact CG-CD1 4.1Å; E220-I224 HydrophobicContact CG-CG1 4.5Å; E220-I224 WeakPolarHBondContact O-CB 2.94Å; E220-I224 VanDerWaalsContact O-CG1 3.32Å; E220-I224 WeakPolarHBondContact O-CG1 3.27Å; E220-I224 PolarHBondContact O-N 2.71Å; E220-N240 WeakPolarHBondContact OE1-CB 3.22Å; E220-L241 HydrophobicContact CG-CB 3.71Å; E220-L241 HydrophobicContact CG-CD1 3.88Å; E220-L241 HydrophobicContact CG-CG 4.42Å; E220-L241 PolarHBondContact OE1-N 3.21Å; E220-L241 VanDerWaalsContact OE1-N 3.16Å
221M93.4Very high84.6Confident1 Ų142.6 Ų42.61%0.00521%0.206CC..Hα-helixtrans-59.5-45.1172.3-71.8-53.1-65.600111.5I187 L190 T191 L200 L217 A218 R223 I224 T225 L241 L267 I271I187-M221 HydrophobicContact CD1-CE 3.75Å; I187-M221 HydrophobicContact CD1-SD 3.63Å; L190-M221 HydrophobicContact CB-CE 4.29Å; L190-M221 HydrophobicContact CD1-CE 4.41Å; T191-M221 HydrophobicContact CG2-CE 4.25Å; L200-M221 HydrophobicContact CD1-CB 4.19Å; L200-M221 HydrophobicContact CD1-CE 4.48Å; L200-M221 HydrophobicContact CD2-CB 3.88Å; L217-M221 VanDerWaalsContact O-CG 3.29Å; L217-M221 WeakPolarHBondContact O-CG 3.23Å; L217-M221 PolarHBondContact O-N 3.09Å; A218-M221 PolarHBondContact O-N 3.13Å; M221-R223 VanDerWaalsContact C-N 3.33Å; M221-R223 PolarHBondContact O-N 2.83Å; M221-I224 PolarHBondContact O-N 2.96Å; M221-T225 PolarHBondContact O-N 3.46Å; M221-T225 PolarHBondContact O-OG1 3.35Å; M221-L241 HydrophobicContact SD-CD1 4.28Å; M221-L267 HydrophobicContact SD-CD2 4.27Å; M221-I271 HydrophobicContact CG-CG2 3.8Å
222V91.5Very high85.8Confident1 Ų140.5 Ų40.51%0.00619%0.192CC..Hα-helixtrans-55.4-49.6173.5166.90000110.6L200 D203 H205 A218 E220 I224 T225 Q226L200-V222 HydrophobicContact CD2-CG2 3.71Å; D203-V222 HydrophobicContact CB-CG1 4.47Å; D203-V222 WeakPolarHBondContact OD1-CG1 3.05Å; H205-V222 HydrophobicContact CB-CG2 4.21Å; A218-V222 WeakPolarHBondContact O-CG2 3.28Å; A218-V222 PolarHBondContact O-N 3.15Å; E220-V222 PolarHBondContact O-N 2.85Å; V222-I224 PolarHBondContact O-N 2.87Å; V222-T225 PolarHBondContact O-N 3.12Å; V222-Q226 HydrophobicContact CG1-CG 4.42Å; V222-Q226 WeakPolarHBondContact O-CB 3.17Å; V222-Q226 VanDerWaalsContact O-CG 3.24Å; V222-Q226 WeakPolarHBondContact O-CG 3.38Å; V222-Q226 PolarHBondContact O-N 2.76Å
223R91.2Very high86.6Confident54 Ų5440 Ų4020%0.20420%0.2CC..Hα-helixtrans-60-46.5179.5-171.5-176.874.688.80.3111.4C219 E220 M221 Q226 E227 N240C219-R223 WeakPolarHBondContact O-CB 3.19Å; C219-R223 PolarHBondContact O-N 2.73Å; E220-R223 WeakPolarHBondContact O-CB 3.17Å; E220-R223 PolarHBondContact O-N 2.96Å; E220-R223 IonicContact OE1-CZ 3.44Å; E220-R223 IonicContact OE1-NE 2.69Å; E220-R223 IonicContact OE1-NH2 3.89Å; E220-R223 PolarHBondContact OE1-NH2 3.2Å; E220-R223 IonicContact OE2-CZ 2.86Å; E220-R223 IonicContact OE2-NE 3.99Å; E220-R223 PolarHBondContact OE2-NE 3.04Å; E220-R223 IonicContact OE2-NH2 3.53Å; E220-R223 PolarHBondContact OE2-NH2 3.08Å; M221-R223 VanDerWaalsContact C-N 3.33Å; M221-R223 PolarHBondContact O-N 2.83Å; R223-Q226 PolarHBondContact O-N 3.34Å; R223-E227 WeakPolarHBondContact O-CB 3.14Å; R223-E227 VanDerWaalsContact O-CG 3.28Å; R223-E227 WeakPolarHBondContact O-CG 3.11Å; R223-E227 PolarHBondContact O-N 3.19Å; R223-N240 PolarHBondContact NH2-ND2 3.05Å; R223-N240 VanDerWaalsContact NH2-ND2 3.13Å
224I93.6Very high87.6Confident0 Ų042.9 Ų42.90%022%0.217CC..Hα-helixtrans-63-47.7180-71.3179.9000110.7I187 T191 E220 M221 V222 Q226 E227 L228 F236 P238 L241I187-I224 HydrophobicContact CG2-CG2 3.65Å; T191-I224 HydrophobicContact CG2-CG2 4.39Å; E220-I224 HydrophobicContact CG-CD1 4.1Å; E220-I224 HydrophobicContact CG-CG1 4.5Å; E220-I224 WeakPolarHBondContact O-CB 2.94Å; E220-I224 VanDerWaalsContact O-CG1 3.32Å; E220-I224 WeakPolarHBondContact O-CG1 3.27Å; E220-I224 PolarHBondContact O-N 2.71Å; M221-I224 PolarHBondContact O-N 2.96Å; V222-I224 PolarHBondContact O-N 2.87Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.35Å; I224-E227 PolarHBondContact O-N 2.76Å; I224-E227 VanDerWaalsContact O-N 3.17Å; I224-L228 HydrophobicContact CG2-CD1 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 2.87Å; I224-F236 HydrophobicContact CB-CE1 4.49Å; I224-F236 HydrophobicContact CD1-CE1 4.36Å; I224-F236 HydrophobicContact CG1-CE1 3.81Å; I224-F236 HydrophobicContact CG1-CZ 4.13Å; I224-F236 HydrophobicContact CG2-CE1 4.35Å; I224-P238 HydrophobicContact CD1-CB 4.11Å; I224-L241 HydrophobicContact CD1-CB 3.56Å; I224-L241 HydrophobicContact CD1-CD1 4.44Å; I224-L241 HydrophobicContact CD1-CD2 3.63Å; I224-L241 HydrophobicContact CD1-CG 4.06Å
225T92.4Very high88.5Confident0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-59.6-46.5177.4-52.20000110.6T191 R197 L200 L201 M221 V222 E227 L228 Y229T191-T225 WeakPolarHBondContact CG2-OG1 3.23Å; R197-T225 HydrophobicContact CG-CG2 4.44Å; L200-T225 HydrophobicContact CB-CG2 4.03Å; L200-T225 VanDerWaalsContact CD1-OG1 3.29Å; L200-T225 WeakPolarHBondContact CD1-OG1 3.22Å; L201-T225 HydrophobicContact CD2-CG2 3.73Å; L201-T225 HydrophobicContact CG-CG2 3.77Å; M221-T225 PolarHBondContact O-N 3.46Å; M221-T225 PolarHBondContact O-OG1 3.35Å; V222-T225 PolarHBondContact O-N 3.12Å; T225-E227 VanDerWaalsContact C-N 3.33Å; T225-E227 PolarHBondContact O-N 2.81Å; T225-L228 PolarHBondContact O-N 2.96Å; T225-Y229 HydrophobicContact CG2-CD2 3.98Å; T225-Y229 HydrophobicContact CG2-CE2 4.09Å; T225-Y229 WeakPolarHBondContact O-CD2 3.28Å; T225-Y229 PolarHBondContact O-N 2.91Å; T225-Y229 VanDerWaalsContact O-N 3.15Å
226Q89.8Confident89.1Confident56 Ų5634.2 Ų34.226%0.26219%0.186SC..Hα-helixtrans-58.7-41.8175.5-71.9172.8-9.400112.3D203 V222 R223 I224 K230D203-Q226 PolarHBondContact OD2-NE2 3.09Å; V222-Q226 HydrophobicContact CG1-CG 4.42Å; V222-Q226 WeakPolarHBondContact O-CB 3.17Å; V222-Q226 VanDerWaalsContact O-CG 3.24Å; V222-Q226 WeakPolarHBondContact O-CG 3.38Å; V222-Q226 PolarHBondContact O-N 2.76Å; R223-Q226 PolarHBondContact O-N 3.34Å; I224-Q226 VanDerWaalsContact C-N 3.34Å; I224-Q226 PolarHBondContact O-N 3.35Å; Q226-K230 WeakPolarHBondContact O-CG 3.46Å; Q226-K230 PolarHBondContact O-N 2.79Å
227E90.3Very high89.4Confident44 Ų4436.4 Ų36.421%0.20620%0.2CC..Hα-helixtrans-67-38.8177.2-71.7-63.7154.800113.1R172 R223 I224 T225 Y229 K230 F236R172-E227 WeakPolarHBondContact CD-O 3.34Å; R172-E227 PolarHBondContact NE-O 3.06Å; R172-E227 PolarHBondContact NH1-O 3.17Å; R172-E227 IonicContact NH1-OE2 3.98Å; R172-E227 PolarHBondContact NH2-O 3.44Å; R172-E227 IonicContact NH2-OE2 3.64Å; R223-E227 WeakPolarHBondContact O-CB 3.14Å; R223-E227 VanDerWaalsContact O-CG 3.28Å; R223-E227 WeakPolarHBondContact O-CG 3.11Å; R223-E227 PolarHBondContact O-N 3.19Å; I224-E227 PolarHBondContact O-N 2.76Å; I224-E227 VanDerWaalsContact O-N 3.17Å; T225-E227 VanDerWaalsContact C-N 3.33Å; T225-E227 PolarHBondContact O-N 2.81Å; E227-Y229 VanDerWaalsContact C-N 3.32Å; E227-Y229 PolarHBondContact O-N 2.83Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.49Å; E227-K230 IonicContact OE1-NZ 3.67Å; E227-K230 PolarHBondContact OE1-NZ 3.03Å; E227-K230 WeakPolarHBondContact OE2-CD 3.42Å; E227-K230 WeakPolarHBondContact OE2-CE 3.46Å; E227-K230 IonicContact OE2-NZ 3.78Å; E227-K230 PolarHBondContact OE2-NZ 2.93Å; E227-F236 HydrophobicContact CB-CD2 3.88Å; E227-F236 HydrophobicContact CB-CE2 3.76Å; E227-F236 HydrophobicContact CB-CG 4.49Å; E227-F236 HydrophobicContact CB-CZ 4.27Å; E227-F236 HydrophobicContact CG-CD2 4.21Å; E227-F236 HydrophobicContact CG-CE2 3.67Å; E227-F236 HydrophobicContact CG-CZ 4.24Å
228L89.9Confident89.5Confident6 Ų636.4 Ų36.43%0.03120%0.2CC..Hα-helixtrans-67.5-31.4179.6-73.4179.4000113R172 L174 I187 T191 I224 T225 F236R172-L228 HydrophobicContact CB-CD2 3.79Å; L174-L228 HydrophobicContact CD2-CD2 3.83Å; I187-L228 HydrophobicContact CG2-CD1 4.1Å; T191-L228 HydrophobicContact CG2-CD1 4.01Å; T191-L228 WeakPolarHBondContact OG1-CD1 3.37Å; I224-L228 HydrophobicContact CG2-CD1 3.92Å; I224-L228 HydrophobicContact CG2-CG 4.24Å; I224-L228 WeakPolarHBondContact O-CG 3.15Å; I224-L228 PolarHBondContact O-N 2.87Å; T225-L228 PolarHBondContact O-N 2.96Å; L228-F236 HydrophobicContact CD2-CB 4.42Å
229Y86.2Confident89.6Confident30 Ų3040.3 Ų40.312%0.11822%0.22CC..THydrogen-bonded Turntrans-934.1-179.7-80-91.5000114.2L162 H192 R197 L201 T225 E227L162-Y229 HydrophobicContact CD1-CE1 4.01Å; L162-Y229 HydrophobicContact CD2-CE1 4.41Å; L162-Y229 HydrophobicContact CG-CE1 4.33Å; H192-Y229 PolarHBondContact CD2-OH 2.86Å; H192-Y229 PolarHBondContact NE2-OH 2.78Å; R197-Y229 WeakPolarHBondContact CD-OH 3.41Å; R197-Y229 HydrophobicContact CG-CE2 4.03Å; L201-Y229 HydrophobicContact CD1-CD1 4.42Å; L201-Y229 HydrophobicContact CD1-CD2 4.34Å; L201-Y229 HydrophobicContact CD1-CG 4.26Å; L201-Y229 HydrophobicContact CD2-CD2 4.14Å; L201-Y229 HydrophobicContact CD2-CG 4.18Å; T225-Y229 HydrophobicContact CG2-CD2 3.98Å; T225-Y229 HydrophobicContact CG2-CE2 4.09Å; T225-Y229 WeakPolarHBondContact O-CD2 3.28Å; T225-Y229 PolarHBondContact O-N 2.91Å; T225-Y229 VanDerWaalsContact O-N 3.15Å; E227-Y229 VanDerWaalsContact C-N 3.32Å; E227-Y229 PolarHBondContact O-N 2.83Å
230K84Confident89.6Confident87 Ų8742 Ų4238%0.37823%0.229SC..SBendtrans-66.6146.8169.9-80.6177.1-173.7177.70110.7R172 Q226 E227 V232R172-K230 VanDerWaalsContact NH2-CB 3.27Å; Q226-K230 WeakPolarHBondContact O-CG 3.46Å; Q226-K230 PolarHBondContact O-N 2.79Å; E227-K230 PolarHBondContact O-N 2.89Å; E227-K230 WeakPolarHBondContact OE1-CE 3.49Å; E227-K230 IonicContact OE1-NZ 3.67Å; E227-K230 PolarHBondContact OE1-NZ 3.03Å; E227-K230 WeakPolarHBondContact OE2-CD 3.42Å; E227-K230 WeakPolarHBondContact OE2-CE 3.46Å; E227-K230 IonicContact OE2-NZ 3.78Å; E227-K230 PolarHBondContact OE2-NZ 2.93Å; K230-V232 PolarHBondContact O-N 3.03Å
231P77.7Confident89.7Confident96 Ų9641.7 Ų41.762%0.62323%0.227SC*.SBendtrans-78.352.3-176.935.3-38.8000113
232V81.8Confident89.5Confident71 Ų7142.4 Ų42.443%0.4323%0.231SC..  trans-141.3149.6170.8-53.10000108.8R172 K230R172-V232 WeakPolarHBondContact CG-O 3.48Å; R172-V232 PolarHBondContact NE-O 3.49Å; K230-V232 PolarHBondContact O-N 3.03Å
233V78.7Confident89.4Confident92 Ų9248.9 Ų48.956%0.55826%0.257SS*.  trans-97.7-0.7-172.3-62.70000113.7G169G169-V233 VanDerWaalsContact O-CG1 3.25Å; G169-V233 WeakPolarHBondContact O-CG1 3.43Å
234T90.3Very high89.3Confident88 Ų8846.3 Ų46.354%0.5425%0.247SC..SBendtrans-63132.4-178.145.20000110.7R172R172-T234 WeakPolarHBondContact CD-O 3.2Å
235P93Very high89.1Confident51 Ų5146.5 Ų46.533%0.33125%0.248SC..PPolyproline II helixtrans-56.8140.9179.6-27.135.4000112.3G173 I175 Q529G173-P235 CarbonylContact O-C 3.46Å; G173-P235 VanDerWaalsContact O-CA 3.27Å; G173-P235 WeakPolarHBondContact O-CA 3.42Å; I175-P235 HydrophobicContact CD1-CB 3.97Å; I175-P235 HydrophobicContact CG1-CB 3.64Å; P235-Q529 HydrophobicContact CB-CB 3.88Å; P235-Q529 HydrophobicContact CG-CB 3.78Å
236F95.4Very high89Confident19 Ų1949.5 Ų49.58%0.08326%0.259CS..BIsolated β-bridgetrans-98.2143.4-179.2176.1-100.7000111.3G173 L174 I175 I224 E227 L228 P238G173-F236 PolarHBondContact O-N 3.08Å; L174-F236 CarbonylContact C-O 3.55Å; L174-F236 WeakPolarHBondContact CA-O 3.24Å; L174-F236 HydrophobicContact CD2-CB 4.06Å; L174-F236 HydrophobicContact CD2-CD1 3.72Å; L174-F236 HydrophobicContact CD2-CG 4.4Å; I175-F236 PolarHBondContact N-O 2.99Å; I224-F236 HydrophobicContact CB-CE1 4.49Å; I224-F236 HydrophobicContact CD1-CE1 4.36Å; I224-F236 HydrophobicContact CG1-CE1 3.81Å; I224-F236 HydrophobicContact CG1-CZ 4.13Å; I224-F236 HydrophobicContact CG2-CE1 4.35Å; E227-F236 HydrophobicContact CB-CD2 3.88Å; E227-F236 HydrophobicContact CB-CE2 3.76Å; E227-F236 HydrophobicContact CB-CG 4.49Å; E227-F236 HydrophobicContact CB-CZ 4.27Å; E227-F236 HydrophobicContact CG-CD2 4.21Å; E227-F236 HydrophobicContact CG-CE2 3.67Å; E227-F236 HydrophobicContact CG-CZ 4.24Å; L228-F236 HydrophobicContact CD2-CB 4.42Å; F236-P238 HydrophobicContact CD1-CB 4.33Å; F236-P238 HydrophobicContact CE1-CB 3.93Å; F236-P238 WeakPolarHBondContact O-CD 3.4Å
237V95.8Very high88.9Confident57 Ų5751 Ų5135%0.34527%0.269SS..  trans-104.6108.9177.9-172.70000109.1I175 M177 N239I175-V237 HydrophobicContact CB-CG2 4.02Å; I175-V237 HydrophobicContact CD1-CG2 3.43Å; I175-V237 VanDerWaalsContact CD1-CG2 3.43Å; I175-V237 HydrophobicContact CG1-CG2 4.18Å; I175-V237 HydrophobicContact CG2-CG2 4.43Å; M177-V237 HydrophobicContact CG-CG1 4.01Å; M177-V237 HydrophobicContact SD-CG1 3.48Å; M177-V237 WeakPolarHBondContact SD-CG1 3.39Å; V237-N239 HydrophobicContact CG1-CB 4Å; V237-N239 PolarHBondContact O-N 3.42Å; V237-N239 PolarHBondContact O-OD1 3.16Å
238P92.9Very high88.7Confident0 Ų052.3 Ų52.30%028%0.275CS..  trans-84.545.4179.632.9-32.5000112.8L174 M177 L183 I224 F236 N240 L241 L242L174-P238 HydrophobicContact CD2-CG 4.47Å; M177-P238 HydrophobicContact CE-CB 4.45Å; M177-P238 HydrophobicContact CE-CG 3.66Å; L183-P238 HydrophobicContact CD2-CB 4.16Å; L183-P238 HydrophobicContact CD2-CG 3.69Å; I224-P238 HydrophobicContact CD1-CB 4.11Å; F236-P238 HydrophobicContact CD1-CB 4.33Å; F236-P238 HydrophobicContact CE1-CB 3.93Å; F236-P238 WeakPolarHBondContact O-CD 3.4Å; P238-N240 PolarHBondContact O-N 3.19Å; P238-L241 HydrophobicContact CB-CB 4.45Å; P238-L241 PolarHBondContact O-N 3.44Å; P238-L242 PolarHBondContact O-N 3.28Å; P238-L242 VanDerWaalsContact O-N 3.11Å
239N91.3Very high88.6Confident82 Ų8252.3 Ų52.344%0.43928%0.275SS..Hα-helixtrans-65.5-38.1-174.965.5-36.2000113.6M177 V237 L242 Y243M177-N239 VanDerWaalsContact SD-CA 3.58Å; M177-N239 HydrophobicContact SD-CB 3.77Å; V237-N239 HydrophobicContact CG1-CB 4Å; V237-N239 PolarHBondContact O-N 3.42Å; V237-N239 PolarHBondContact O-OD1 3.16Å; N239-L242 PolarHBondContact O-N 2.99Å; N239-Y243 PolarHBondContact O-N 3.37Å
240N91.5Very high88.5Confident40 Ų4055.5 Ų55.521%0.21430%0.302CS..Hα-helixtrans-67.2-38.7178.5-64.9-26.6000111.4E220 R223 P238 Y243 A244E220-N240 WeakPolarHBondContact OE1-CB 3.22Å; R223-N240 PolarHBondContact NH2-ND2 3.05Å; R223-N240 VanDerWaalsContact NH2-ND2 3.13Å; P238-N240 PolarHBondContact O-N 3.19Å; N240-Y243 PolarHBondContact O-N 2.94Å; N240-A244 VanDerWaalsContact O-CB 3.29Å; N240-A244 WeakPolarHBondContact O-CB 3.37Å; N240-A244 PolarHBondContact O-N 3.41Å
241L92.3Very high88.6Confident0 Ų056.3 Ų56.30%031%0.307CS..Hα-helixtrans-61.5-47.5172.9177.972.2000111.6L183 I187 L217 E220 M221 I224 P238 Y243 A244 I245 L267L183-L241 HydrophobicContact CD1-CD2 4.16Å; L183-L241 HydrophobicContact CD2-CD2 4.19Å; L183-L241 HydrophobicContact CG-CD2 4.26Å; I187-L241 HydrophobicContact CD1-CD2 3.33Å; I187-L241 HydrophobicContact CG1-CD2 3.69Å; L217-L241 HydrophobicContact CD2-CD1 3.76Å; E220-L241 HydrophobicContact CG-CB 3.71Å; E220-L241 HydrophobicContact CG-CD1 3.88Å; E220-L241 HydrophobicContact CG-CG 4.42Å; E220-L241 PolarHBondContact OE1-N 3.21Å; E220-L241 VanDerWaalsContact OE1-N 3.16Å; M221-L241 HydrophobicContact SD-CD1 4.28Å; I224-L241 HydrophobicContact CD1-CB 3.56Å; I224-L241 HydrophobicContact CD1-CD1 4.44Å; I224-L241 HydrophobicContact CD1-CD2 3.63Å; I224-L241 HydrophobicContact CD1-CG 4.06Å; P238-L241 HydrophobicContact CB-CB 4.45Å; P238-L241 PolarHBondContact O-N 3.44Å; L241-Y243 VanDerWaalsContact C-N 3.3Å; L241-Y243 PolarHBondContact O-N 2.81Å; L241-A244 PolarHBondContact O-N 3.46Å; L241-I245 HydrophobicContact CD1-CD1 3.83Å; L241-I245 HydrophobicContact CD1-CG1 4.09Å; L241-I245 HydrophobicContact CD2-CD1 4.32Å; L241-I245 HydrophobicContact CG-CD1 3.77Å; L241-I245 HydrophobicContact CG-CG1 4.32Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.2Å; L241-L267 HydrophobicContact CD1-CD1 4.39Å
242L90.1Very high88.8Confident17 Ų1752 Ų529%0.08928%0.278CS..Hα-helixtrans-55.5-48.4177.7-175.867.9000111M177 T180 L183 P238 N239 I245 W246M177-L242 HydrophobicContact CE-CB 4.14Å; M177-L242 HydrophobicContact CE-CD2 4.02Å; M177-L242 HydrophobicContact SD-CD2 4.49Å; T180-L242 HydrophobicContact CG2-CD1 4.24Å; T180-L242 HydrophobicContact CG2-CD2 4.12Å; L183-L242 HydrophobicContact CD1-CB 4.36Å; L183-L242 HydrophobicContact CD1-CD1 4Å; P238-L242 PolarHBondContact O-N 3.28Å; P238-L242 VanDerWaalsContact O-N 3.11Å; N239-L242 PolarHBondContact O-N 2.99Å; L242-I245 PolarHBondContact O-N 3.33Å; L242-W246 HydrophobicContact CD1-CZ2 3.74Å; L242-W246 HydrophobicContact CD2-CH2 3.89Å; L242-W246 HydrophobicContact CD2-CZ2 3.69Å; L242-W246 HydrophobicContact CG-CD2 4.25Å; L242-W246 HydrophobicContact CG-CH2 4.16Å; L242-W246 HydrophobicContact CG-CZ2 3.63Å; L242-W246 PolarHBondContact O-N 3.42Å; L242-W246 VanDerWaalsContact O-N 3.07Å
243Y89.6Confident88.9Confident137 Ų13750.4 Ų50.454%0.53727%0.273SS..Hα-helixtrans-61.2-46.1176.2175.3-101.8000112.9N239 N240 L241 I245 W246 L247N239-Y243 PolarHBondContact O-N 3.37Å; N240-Y243 PolarHBondContact O-N 2.94Å; L241-Y243 VanDerWaalsContact C-N 3.3Å; L241-Y243 PolarHBondContact O-N 2.81Å; Y243-I245 VanDerWaalsContact C-N 3.33Å; Y243-I245 PolarHBondContact O-N 3.42Å; Y243-W246 PolarHBondContact O-N 3.24Å; Y243-L247 PolarHBondContact O-N 2.83Å
244A89.3Confident89Confident0 Ų047.6 Ų47.60%026%0.263CS..Hα-helixtrans-63-40.2-18000000111.6L217 N240 L241 L247 H248L217-A244 HydrophobicContact CD2-CB 3.58Å; L217-A244 HydrophobicContact CG-CB 4.39Å; N240-A244 VanDerWaalsContact O-CB 3.29Å; N240-A244 WeakPolarHBondContact O-CB 3.37Å; N240-A244 PolarHBondContact O-N 3.41Å; L241-A244 PolarHBondContact O-N 3.46Å; A244-L247 WeakPolarHBondContact O-CB 3.32Å; A244-L247 PolarHBondContact O-N 3.32Å; A244-H248 PolarHBondContact O-CD2 3.13Å; A244-H248 PolarHBondContact O-N 3.37Å
245I90Very high88.3Confident3 Ų351.6 Ų51.62%0.01527%0.269CS..Hα-helixtrans-65.3-42.8176.3-67.2174.4000110.5L217 L241 L242 Y243 L247 H248 A249 L252 F263 L267L217-I245 HydrophobicContact CD2-CG1 3.66Å; L241-I245 HydrophobicContact CD1-CD1 3.83Å; L241-I245 HydrophobicContact CD1-CG1 4.09Å; L241-I245 HydrophobicContact CD2-CD1 4.32Å; L241-I245 HydrophobicContact CG-CD1 3.77Å; L241-I245 HydrophobicContact CG-CG1 4.32Å; L241-I245 VanDerWaalsContact O-CG1 3.31Å; L241-I245 WeakPolarHBondContact O-CG1 3.48Å; L241-I245 PolarHBondContact O-N 3.2Å; L242-I245 PolarHBondContact O-N 3.33Å; Y243-I245 VanDerWaalsContact C-N 3.33Å; Y243-I245 PolarHBondContact O-N 3.42Å; I245-L247 PolarHBondContact O-N 2.6Å; I245-H248 PolarHBondContact O-N 3.3Å; I245-H248 VanDerWaalsContact O-N 3.13Å; I245-A249 HydrophobicContact CG2-CB 4.42Å; I245-A249 WeakPolarHBondContact O-CA 3.13Å; I245-A249 PolarHBondContact O-N 3.01Å; I245-L252 HydrophobicContact CG2-CB 4.34Å; I245-L252 HydrophobicContact CG2-CD1 3.87Å; I245-F263 HydrophobicContact CD1-CE2 3.34Å; I245-F263 HydrophobicContact CD1-CZ 3.29Å; I245-F263 HydrophobicContact CG2-CE2 4.15Å; I245-L267 HydrophobicContact CD1-CD1 3.98Å; I245-L267 HydrophobicContact CG1-CD1 4.43Å
246W89.1Confident87.7Confident63 Ų6355.1 Ų55.124%0.23928%0.281CS..Hα-helixtrans-62-30.3176.9-66.3-6.7000113.3L242 Y243 L252 A253 G254 Y255L242-W246 HydrophobicContact CD1-CZ2 3.74Å; L242-W246 HydrophobicContact CD2-CH2 3.89Å; L242-W246 HydrophobicContact CD2-CZ2 3.69Å; L242-W246 HydrophobicContact CG-CD2 4.25Å; L242-W246 HydrophobicContact CG-CH2 4.16Å; L242-W246 HydrophobicContact CG-CZ2 3.63Å; L242-W246 PolarHBondContact O-N 3.42Å; L242-W246 VanDerWaalsContact O-N 3.07Å; Y243-W246 PolarHBondContact O-N 3.24Å; W246-L252 PolarHBondContact NE1-O 3.01Å; W246-L252 VanDerWaalsContact NE1-O 3.16Å; W246-A253 HydrophobicContact CB-CB 3.85Å; W246-A253 VanDerWaalsContact CD1-CA 3.41Å; W246-A253 HydrophobicContact CD2-CB 4.27Å; W246-A253 HydrophobicContact CG-CB 3.79Å; W246-G254 WeakPolarHBondContact CZ2-O 3.28Å; W246-Y255 HydrophobicContact CH2-CE1 4.36Å
247L88Confident87.1Confident89 Ų8957.6 Ų57.647%0.46629%0.293SS..Hα-helixtrans-69.5-39.7174.6-175.365.6000112.2N215 Y243 A244 I245N215-L247 HydrophobicContact CB-CD2 4.13Å; Y243-L247 PolarHBondContact O-N 2.83Å; A244-L247 WeakPolarHBondContact O-CB 3.32Å; A244-L247 PolarHBondContact O-N 3.32Å; I245-L247 PolarHBondContact O-N 2.6Å
248H86.7Confident86.6Confident71 Ų7157.5 Ų57.533%0.32929%0.287SS..Hα-helixtrans-91.6-25.2-175.6-70.7-65.8000114.4N215 L217 A244 I245 L270 H274N215-H248 PolarHBondContact O-NE2 3.47Å; L217-H248 HydrophobicContact CD1-CB 4.28Å; A244-H248 PolarHBondContact O-CD2 3.13Å; A244-H248 PolarHBondContact O-N 3.37Å; I245-H248 PolarHBondContact O-N 3.3Å; I245-H248 VanDerWaalsContact O-N 3.13Å; H248-L270 HydrophobicContact CB-CD1 4.11Å; H248-L270 HydrophobicContact CB-CD2 4.01Å; H248-H274 AromaticContact CD2-CE1 3.76Å; H248-H274 AromaticContact CE1-CE1 3.58Å; H248-H274 AromaticContact CE1-NE2 3.49Å; H248-H274 PolarHBondContact CE1-NE2 3.05Å; H248-H274 AromaticContact NE2-CE1 3.37Å; H248-H274 PolarHBondContact NE2-CE1 2.95Å; H248-H274 AromaticContact NE2-NE2 3.73Å
249A87.5Confident86.5Confident6 Ų659.6 Ų59.65%0.0530%0.298CS..  trans-134.678.9-179.700000108.9I245 H251 L252 T266 L270I245-A249 HydrophobicContact CG2-CB 4.42Å; I245-A249 WeakPolarHBondContact O-CA 3.13Å; I245-A249 PolarHBondContact O-N 3.01Å; A249-H251 PolarHBondContact O-N 3.47Å; A249-H251 VanDerWaalsContact O-N 3.13Å; A249-L252 HydrophobicContact CB-CB 4.42Å; A249-L252 HydrophobicContact CB-CD1 3.95Å; A249-L252 HydrophobicContact CB-CG 4.17Å; A249-L252 WeakPolarHBondContact O-CB 3.43Å; A249-L252 PolarHBondContact O-N 3.08Å; A249-T266 HydrophobicContact CB-CG2 4.13Å; A249-L270 HydrophobicContact CB-CD1 4.03Å
250S84.6Confident86.5Confident97 Ų9755.7 Ų55.768%0.67828%0.277SS*.G310 helixtrans-58.8-26.2-177.857.50000113.7L252 A253S250-L252 PolarHBondContact O-N 2.74Å; S250-A253 WeakPolarHBondContact O-CB 3.32Å; S250-A253 PolarHBondContact O-N 3.35Å; S250-A253 VanDerWaalsContact O-N 3.1Å
251H84.5Confident86.6Confident103 Ų10354.8 Ų54.848%0.47727%0.272SS..G310 helixtrans-67.4-21.8174.669.4-84.2000113.3A249 R258A249-H251 PolarHBondContact O-N 3.47Å; A249-H251 VanDerWaalsContact O-N 3.13Å; H251-R258 PolarHBondContact O-NH2 3.32Å
252L83Confident86.7Confident5 Ų558.9 Ų58.93%0.02629%0.291CS..G310 helixtrans-89.4-4.6173.3-61178.7000112.7I245 W246 A249 S250 R258 F263 T266I245-L252 HydrophobicContact CG2-CB 4.34Å; I245-L252 HydrophobicContact CG2-CD1 3.87Å; W246-L252 PolarHBondContact NE1-O 3.01Å; W246-L252 VanDerWaalsContact NE1-O 3.16Å; A249-L252 HydrophobicContact CB-CB 4.42Å; A249-L252 HydrophobicContact CB-CD1 3.95Å; A249-L252 HydrophobicContact CB-CG 4.17Å; A249-L252 WeakPolarHBondContact O-CB 3.43Å; A249-L252 PolarHBondContact O-N 3.08Å; S250-L252 PolarHBondContact O-N 2.74Å; L252-R258 HydrophobicContact CD2-CG 4.3Å; L252-F263 HydrophobicContact CD1-CD2 4.11Å; L252-T266 HydrophobicContact CD1-CG2 3.66Å
253A83.6Confident86.9Confident38 Ų3858.2 Ų58.231%0.31429%0.287SS..  trans-69.6149.4178.700000112.4W246 S250W246-A253 HydrophobicContact CB-CB 3.85Å; W246-A253 VanDerWaalsContact CD1-CA 3.41Å; W246-A253 HydrophobicContact CD2-CB 4.27Å; W246-A253 HydrophobicContact CG-CB 3.79Å; S250-A253 WeakPolarHBondContact O-CB 3.32Å; S250-A253 PolarHBondContact O-N 3.35Å; S250-A253 VanDerWaalsContact O-N 3.1Å
254G81.2Confident87.2Confident34 Ų3451.8 Ų51.835%0.35126%0.262SS..SBendtrans109-176.2178.900000113.9W246W246-G254 WeakPolarHBondContact CZ2-O 3.28Å
255Y76Confident87.5Confident171 Ų17153.4 Ų53.467%0.67127%0.27SS*.SBendtrans-102.414.8-175.2-61.4-81.2000113.1N179 W246N179-Y255 PolarHBondContact ND2-O 3Å; W246-Y255 HydrophobicContact CH2-CE1 4.36Å
256E79.4Confident87.7Confident126 Ų12654.4 Ų54.459%0.58928%0.277SS*.SBendtrans-77.7150.4178-63.4-177.515900110.8R258E256-R258 IonicContact OE2-CZ 2.7Å; E256-R258 IonicContact OE2-NH1 2.74Å; E256-R258 IonicContact OE2-NH2 3.92Å; E256-R258 PolarHBondContact OE2-NH2 3.33Å
257Q82.1Confident88Confident70 Ų7051.5 Ų51.533%0.32727%0.266SS..  trans-70.6140.8172.7-64.7-169.9-1.100109.8N179N179-Q257 HydrophobicContact CB-CG 3.78Å; N179-Q257 PolarHBondContact OD1-NE2 2.7Å; N179-Q257 VanDerWaalsContact OD1-NE2 3.08Å
258R86.2Confident88.4Confident55 Ų5547.4 Ų47.421%0.20824%0.244CC..  trans-123159.3-179.5-61.9-66.4179.4-151.9-11.5110.4F182 H251 L252 E256F182-R258 HydrophobicContact CD1-CB 4.06Å; F182-R258 HydrophobicContact CD2-CB 4.07Å; F182-R258 HydrophobicContact CE1-CB 3.91Å; F182-R258 HydrophobicContact CE1-CG 4.13Å; F182-R258 HydrophobicContact CE2-CB 3.96Å; F182-R258 HydrophobicContact CE2-CG 4.36Å; F182-R258 HydrophobicContact CG-CB 4.15Å; F182-R258 HydrophobicContact CZ-CB 3.88Å; F182-R258 HydrophobicContact CZ-CG 3.94Å; H251-R258 PolarHBondContact O-NH2 3.32Å; L252-R258 HydrophobicContact CD2-CG 4.3Å; E256-R258 IonicContact OE2-CZ 2.7Å; E256-R258 IonicContact OE2-NH1 2.74Å; E256-R258 IonicContact OE2-NH2 3.92Å; E256-R258 PolarHBondContact OE2-NH2 3.33Å
259D89.9Confident88.6Confident44 Ų4447.5 Ų47.524%0.23525%0.25CC..  trans-72.4126172.6-167.6-39.1000109.7H261 E262 F263 Y545D259-H261 VanDerWaalsContact C-N 3.25Å; D259-H261 PolarHBondContact O-N 3.41Å; D259-H261 WeakPolarHBondContact OD1-CB 3.14Å; D259-H261 PolarHBondContact OD1-N 2.85Å; D259-E262 HydrophobicContact CB-CB 3.86Å; D259-E262 PolarHBondContact O-N 3.46Å; D259-F263 WeakPolarHBondContact O-CB 3.43Å; D259-F263 PolarHBondContact O-N 3.27Å; D259-Y545 WeakPolarHBondContact OD1-CE1 3.31Å; D259-Y545 PolarHBondContact OD1-OH 2.97Å; D259-Y545 PolarHBondContact OD2-OH 3.29Å
260A93.1Very high88.9Confident0 Ų048.8 Ų48.80%026%0.256CS..Hα-helixtrans-64.6-30.8178.800000112.5F182 V185 V186 L264 Y512F182-A260 HydrophobicContact CB-CB 3.98Å; V185-A260 HydrophobicContact CG2-CB 4.11Å; V186-A260 HydrophobicContact CG2-CB 4.36Å; V186-A260 WeakPolarHBondContact CG2-O 3.49Å; A260-L264 VanDerWaalsContact O-CB 3.31Å; A260-L264 WeakPolarHBondContact O-CB 3.41Å; A260-L264 PolarHBondContact O-N 3.19Å; A260-Y512 HydrophobicContact CB-CD1 3.61Å; A260-Y512 HydrophobicContact CB-CD2 4.45Å; A260-Y512 HydrophobicContact CB-CE1 3.35Å; A260-Y512 HydrophobicContact CB-CE2 4.24Å; A260-Y512 HydrophobicContact CB-CG 4.16Å; A260-Y512 PolarHBondContact N-OH 2.96Å
261H93.6Very high89.2Confident22 Ų2244.3 Ų44.310%0.10222%0.224CC..Hα-helixtrans-69.3-48.6174.5169.8-102.1000111.2D259 F263 L264 I265 D398 Y455 Y545 V546D259-H261 VanDerWaalsContact C-N 3.25Å; D259-H261 PolarHBondContact O-N 3.41Å; D259-H261 WeakPolarHBondContact OD1-CB 3.14Å; D259-H261 PolarHBondContact OD1-N 2.85Å; H261-F263 PolarHBondContact O-N 2.84Å; H261-L264 WeakPolarHBondContact O-CB 3.29Å; H261-L264 PolarHBondContact O-N 2.92Å; H261-L264 VanDerWaalsContact O-N 3.08Å; H261-I265 WeakPolarHBondContact O-CG1 3.49Å; H261-I265 PolarHBondContact O-N 3.4Å; H261-D398 IonicContact CD2-OD2 2.84Å; H261-D398 IonicContact CE1-OD2 3.67Å; H261-D398 IonicContact NE2-OD1 3.59Å; H261-D398 IonicContact NE2-OD2 2.8Å; H261-D398 PolarHBondContact NE2-OD2 3.44Å; H261-Y455 HydrophobicContact CB-CD2 3.75Å; H261-Y455 HydrophobicContact CB-CE2 3.98Å; H261-Y455 HydrophobicContact CB-CG 4.15Å; H261-Y455 VanDerWaalsContact CD2-CB 3.41Å; H261-Y455 WeakPolarHBondContact CD2-CB 3.32Å; H261-Y455 AromaticContact CD2-CD2 3.99Å; H261-Y455 AromaticContact CD2-CG 3.56Å; H261-Y455 AromaticContact CE1-CD1 3.54Å; H261-Y455 AromaticContact CE1-CG 3.83Å; H261-Y455 AromaticContact CG-CD1 3.89Å; H261-Y455 AromaticContact CG-CD2 3.7Å; H261-Y455 AromaticContact CG-CG 3.56Å; H261-Y455 AromaticContact ND1-CD1 3.58Å; H261-Y455 AromaticContact ND1-CE1 3.81Å; H261-Y455 AromaticContact ND1-CG 3.77Å; H261-Y455 WeakPolarHBondContact NE2-CB 3.46Å; H261-Y455 AromaticContact NE2-CD1 3.84Å; H261-Y455 AromaticContact NE2-CG 3.7Å; H261-Y545 HydrophobicContact CB-CE1 4.39Å; H261-V546 HydrophobicContact CB-CG2 4.1Å
262E92.7Very high89.4Confident86 Ų8641.6 Ų41.640%0.40221%0.211SC..Hα-helixtrans-56.5-43.3175.8-176.6-178.3-155.600111D259 T266D259-E262 HydrophobicContact CB-CB 3.86Å; D259-E262 PolarHBondContact O-N 3.46Å; E262-T266 VanDerWaalsContact O-CB 3.27Å; E262-T266 WeakPolarHBondContact O-CB 3.24Å; E262-T266 PolarHBondContact O-N 3.47Å; E262-T266 PolarHBondContact O-OG1 2.88Å
263F94.7Very high89.6Confident3 Ų343.1 Ų43.11%0.01323%0.229CC..Hα-helixtrans-64-42.8176-179.3-99.3000112.7F182 L183 V186 I245 L252 D259 H261 T266 L267F182-F263 HydrophobicContact CD2-CB 3.75Å; F182-F263 HydrophobicContact CD2-CD1 4.08Å; F182-F263 AromaticContact CD2-CD2 3.89Å; F182-F263 HydrophobicContact CD2-CD2 3.89Å; F182-F263 HydrophobicContact CD2-CE2 4.49Å; F182-F263 AromaticContact CD2-CG 3.63Å; F182-F263 HydrophobicContact CD2-CG 3.63Å; F182-F263 HydrophobicContact CE2-CB 4.13Å; F182-F263 HydrophobicContact CE2-CD1 4.4Å; F182-F263 AromaticContact CE2-CD2 3.47Å; F182-F263 HydrophobicContact CE2-CD2 3.47Å; F182-F263 VanDerWaalsContact CE2-CD2 3.47Å; F182-F263 AromaticContact CE2-CE2 3.88Å; F182-F263 HydrophobicContact CE2-CE2 3.88Å; F182-F263 AromaticContact CE2-CG 3.75Å; F182-F263 HydrophobicContact CE2-CG 3.75Å; L183-F263 HydrophobicContact CB-CE1 3.93Å; L183-F263 HydrophobicContact CB-CE2 4.43Å; L183-F263 HydrophobicContact CB-CZ 3.83Å; L183-F263 HydrophobicContact CD1-CE2 4.32Å; L183-F263 HydrophobicContact CD1-CZ 3.8Å; L183-F263 HydrophobicContact CG-CE1 3.92Å; L183-F263 HydrophobicContact CG-CE2 4.44Å; L183-F263 HydrophobicContact CG-CZ 3.59Å; V186-F263 HydrophobicContact CB-CD1 3.74Å; V186-F263 HydrophobicContact CB-CE1 3.93Å; V186-F263 HydrophobicContact CG1-CD1 3.72Å; V186-F263 HydrophobicContact CG1-CE1 3.76Å; V186-F263 HydrophobicContact CG2-CD1 3.88Å; I245-F263 HydrophobicContact CD1-CE2 3.34Å; I245-F263 HydrophobicContact CD1-CZ 3.29Å; I245-F263 HydrophobicContact CG2-CE2 4.15Å; L252-F263 HydrophobicContact CD1-CD2 4.11Å; D259-F263 WeakPolarHBondContact O-CB 3.43Å; D259-F263 PolarHBondContact O-N 3.27Å; H261-F263 PolarHBondContact O-N 2.84Å; F263-T266 PolarHBondContact O-N 3.42Å; F263-L267 HydrophobicContact CE1-CD2 3.97Å; F263-L267 HydrophobicContact CZ-CD2 4.26Å; F263-L267 VanDerWaalsContact O-CB 3.24Å; F263-L267 WeakPolarHBondContact O-CB 3.41Å; F263-L267 PolarHBondContact O-N 3.36Å
264L96.4Very high89.8Confident1 Ų143.8 Ų43.81%0.00523%0.225CC..Hα-helixtrans-58-52.1177.2173.263.6000111.3V186 L190 A260 H261 L267 L268 V546V186-L264 HydrophobicContact CG1-CB 4.17Å; V186-L264 HydrophobicContact CG1-CD1 3.8Å; V186-L264 HydrophobicContact CG2-CB 3.86Å; L190-L264 HydrophobicContact CD1-CD1 4.09Å; L190-L264 HydrophobicContact CD2-CD1 3.69Å; L190-L264 HydrophobicContact CG-CD1 3.91Å; A260-L264 VanDerWaalsContact O-CB 3.31Å; A260-L264 WeakPolarHBondContact O-CB 3.41Å; A260-L264 PolarHBondContact O-N 3.19Å; H261-L264 WeakPolarHBondContact O-CB 3.29Å; H261-L264 PolarHBondContact O-N 2.92Å; H261-L264 VanDerWaalsContact O-N 3.08Å; L264-L267 PolarHBondContact O-N 3.17Å; L264-L268 HydrophobicContact CD1-CD1 4.16Å; L264-L268 HydrophobicContact CD1-CG 4.32Å; L264-L268 HydrophobicContact CG-CD1 4.35Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 2.9Å; L264-V546 HydrophobicContact CD2-CG1 4.3Å
265I95.3Very high89.7Confident34 Ų3442.4 Ų42.417%0.17421%0.21CC..Hα-helixtrans-65.4-41.8-178.8-58.2-54.1000110.8H261 L268 T269 L397 D398H261-I265 WeakPolarHBondContact O-CG1 3.49Å; H261-I265 PolarHBondContact O-N 3.4Å; I265-L268 PolarHBondContact O-N 3.44Å; I265-T269 WeakPolarHBondContact O-CB 3.46Å; I265-T269 PolarHBondContact O-N 3.4Å; I265-T269 PolarHBondContact O-OG1 2.88Å; I265-L397 HydrophobicContact CD1-CB 4.1Å; I265-L397 HydrophobicContact CG2-CD1 4.32Å; I265-D398 HydrophobicContact CD1-CB 3.98Å; I265-D398 WeakPolarHBondContact CD1-OD1 3.28Å
266T94.8Very high89.3Confident25 Ų2538.4 Ų38.415%0.15320%0.203CC..Hα-helixtrans-61.7-47176.2-58.20000110.9A249 L252 E262 F263 L268 T269 L270A249-T266 HydrophobicContact CB-CG2 4.13Å; L252-T266 HydrophobicContact CD1-CG2 3.66Å; E262-T266 VanDerWaalsContact O-CB 3.27Å; E262-T266 WeakPolarHBondContact O-CB 3.24Å; E262-T266 PolarHBondContact O-N 3.47Å; E262-T266 PolarHBondContact O-OG1 2.88Å; F263-T266 PolarHBondContact O-N 3.42Å; T266-L268 PolarHBondContact O-N 2.94Å; T266-T269 PolarHBondContact O-N 3.15Å; T266-L270 HydrophobicContact CG2-CD1 3.87Å; T266-L270 HydrophobicContact CG2-CG 4.15Å; T266-L270 WeakPolarHBondContact O-CB 3.4Å; T266-L270 VanDerWaalsContact O-CG 3.25Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 3.4Å
267L95.6Very high88.2Confident2 Ų235.7 Ų35.71%0.0121%0.209CC..Hα-helixtrans-62.4-44.8179.7-179.358.9000111.6V186 I187 L190 M221 L241 I245 F263 L264 T269 L270 I271V186-L267 HydrophobicContact CG1-CD2 4.03Å; I187-L267 HydrophobicContact CD1-CD2 3.87Å; L190-L267 HydrophobicContact CD1-CD2 3.66Å; L190-L267 HydrophobicContact CD1-CG 4.21Å; M221-L267 HydrophobicContact SD-CD2 4.27Å; L241-L267 HydrophobicContact CD1-CD1 4.39Å; I245-L267 HydrophobicContact CD1-CD1 3.98Å; I245-L267 HydrophobicContact CG1-CD1 4.43Å; F263-L267 HydrophobicContact CE1-CD2 3.97Å; F263-L267 HydrophobicContact CZ-CD2 4.26Å; F263-L267 VanDerWaalsContact O-CB 3.24Å; F263-L267 WeakPolarHBondContact O-CB 3.41Å; F263-L267 PolarHBondContact O-N 3.36Å; L264-L267 PolarHBondContact O-N 3.17Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.25Å; L267-L270 PolarHBondContact O-N 3.44Å; L267-I271 HydrophobicContact CD1-CG2 3.84Å; L267-I271 HydrophobicContact CG-CG2 4.39Å; L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 WeakPolarHBondContact O-CG2 3.28Å; L267-I271 PolarHBondContact O-N 3.2Å
268L94.9Very high86.8Confident2 Ų234.6 Ų34.61%0.0120%0.204CC..Hα-helixtrans-58.8-43175.3-73.4177.8000111.8L190 L264 I265 T266 I271 H272 V369 F373 L397L190-L268 HydrophobicContact CD1-CD2 4.28Å; L190-L268 HydrophobicContact CD2-CD2 3.75Å; L190-L268 HydrophobicContact CD2-CG 4.39Å; L264-L268 HydrophobicContact CD1-CD1 4.16Å; L264-L268 HydrophobicContact CD1-CG 4.32Å; L264-L268 HydrophobicContact CG-CD1 4.35Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 2.9Å; I265-L268 PolarHBondContact O-N 3.44Å; T266-L268 PolarHBondContact O-N 2.94Å; L268-I271 HydrophobicContact CD2-CD1 4.04Å; L268-I271 WeakPolarHBondContact O-CG1 3.4Å; L268-H272 VanDerWaalsContact O-CB 3.23Å; L268-H272 WeakPolarHBondContact O-CB 3.36Å; L268-H272 PolarHBondContact O-N 3.33Å; L268-V369 HydrophobicContact CB-CG1 4.26Å; L268-V369 HydrophobicContact CD2-CG1 4.26Å; L268-F373 HydrophobicContact CD1-CD1 4.16Å; L268-F373 HydrophobicContact CD1-CD2 4.27Å; L268-F373 HydrophobicContact CD1-CE1 4.4Å; L268-F373 HydrophobicContact CD1-CG 4.09Å; L268-F373 HydrophobicContact CD2-CD2 3.85Å; L268-F373 HydrophobicContact CD2-CE2 3.67Å; L268-F373 HydrophobicContact CD2-CG 4.5Å; L268-F373 HydrophobicContact CD2-CZ 4.17Å; L268-L397 HydrophobicContact CD1-CD2 4.47Å
269T92.5Very high84.9Confident73 Ų7339.3 Ų39.345%0.44823%0.228SC..Hα-helixtrans-65.1-42.2177.5-56.30000111.7I265 T266 L267 H272 G273I265-T269 WeakPolarHBondContact O-CB 3.46Å; I265-T269 PolarHBondContact O-N 3.4Å; I265-T269 PolarHBondContact O-OG1 2.88Å; T266-T269 PolarHBondContact O-N 3.15Å; L267-T269 VanDerWaalsContact C-N 3.31Å; L267-T269 PolarHBondContact O-N 3.25Å; T269-H272 WeakPolarHBondContact O-CB 3.36Å; T269-H272 PolarHBondContact O-N 3.01Å; T269-G273 PolarHBondContact O-N 3.41Å; T269-G273 VanDerWaalsContact O-N 3.09Å
270L92.5Very high82.9Confident33 Ų3340.6 Ų40.617%0.17324%0.241CC..Hα-helixtrans-71.5-41.6-179.5-70.4178.2000112.8L217 H248 A249 T266 L267 H272 G273 H274L217-L270 HydrophobicContact CD1-CB 3.51Å; L217-L270 HydrophobicContact CD1-CD1 3.78Å; L217-L270 HydrophobicContact CD1-CG 4.22Å; H248-L270 HydrophobicContact CB-CD1 4.11Å; H248-L270 HydrophobicContact CB-CD2 4.01Å; A249-L270 HydrophobicContact CB-CD1 4.03Å; T266-L270 HydrophobicContact CG2-CD1 3.87Å; T266-L270 HydrophobicContact CG2-CG 4.15Å; T266-L270 WeakPolarHBondContact O-CB 3.4Å; T266-L270 VanDerWaalsContact O-CG 3.25Å; T266-L270 WeakPolarHBondContact O-CG 3.48Å; T266-L270 PolarHBondContact O-N 3.4Å; L267-L270 PolarHBondContact O-N 3.44Å; L270-H272 VanDerWaalsContact C-N 3.31Å; L270-G273 PolarHBondContact O-N 3.48Å; L270-H274 PolarHBondContact O-N 3.3Å
271I91.1Very high80.6Confident4 Ų445.2 Ų45.22%0.02127%0.271CS..Hα-helixtrans-68.3-36175.268.5-176.8000110.1L217 M221 L267 L268 G273 H274 L275 V369L217-I271 HydrophobicContact CB-CG2 3.87Å; M221-I271 HydrophobicContact CG-CG2 3.8Å; L267-I271 HydrophobicContact CD1-CG2 3.84Å; L267-I271 HydrophobicContact CG-CG2 4.39Å; L267-I271 WeakPolarHBondContact O-CG1 3.47Å; L267-I271 WeakPolarHBondContact O-CG2 3.28Å; L267-I271 PolarHBondContact O-N 3.2Å; L268-I271 HydrophobicContact CD2-CD1 4.04Å; L268-I271 WeakPolarHBondContact O-CG1 3.4Å; I271-G273 VanDerWaalsContact C-N 3.32Å; I271-G273 PolarHBondContact O-N 2.79Å; I271-H274 CarbonylContact O-C 3.6Å; I271-H274 PolarHBondContact O-N 3.48Å; I271-L275 HydrophobicContact CB-CD1 4.26Å; I271-L275 HydrophobicContact CG1-CD1 4.27Å; I271-L275 WeakPolarHBondContact O-CB 3.29Å; I271-L275 VanDerWaalsContact O-CD1 3.3Å; I271-L275 WeakPolarHBondContact O-CD1 3.49Å; I271-L275 WeakPolarHBondContact O-CG 3.48Å; I271-L275 PolarHBondContact O-N 3.09Å; I271-V369 HydrophobicContact CD1-CG2 3.86Å; I271-V369 HydrophobicContact CG1-CG2 3.62Å
272H89.4Confident78.2Confident45 Ų4549.7 Ų49.721%0.20829%0.291CS..Hα-helixtrans-53.1-51.4171.3159.356.6000110.5L268 T269 L270 H274 L275 V276 C365 C367 V369 H370L268-H272 VanDerWaalsContact O-CB 3.23Å; L268-H272 WeakPolarHBondContact O-CB 3.36Å; L268-H272 PolarHBondContact O-N 3.33Å; T269-H272 WeakPolarHBondContact O-CB 3.36Å; T269-H272 PolarHBondContact O-N 3.01Å; L270-H272 VanDerWaalsContact C-N 3.31Å; H272-H274 PolarHBondContact O-N 2.76Å; H272-H274 VanDerWaalsContact O-N 3.11Å; H272-L275 CarbonylContact O-C 3.56Å; H272-L275 WeakPolarHBondContact O-CA 3.38Å; H272-L275 PolarHBondContact O-N 3.46Å; H272-V276 WeakPolarHBondContact CE1-CG2 3.49Å; H272-V276 VanDerWaalsContact O-CG2 3.24Å; H272-V276 WeakPolarHBondContact O-CG2 3.32Å; H272-V276 PolarHBondContact O-N 2.95Å; H272-V276 VanDerWaalsContact O-N 3.09Å; H272-C365 VanDerWaalsContact CE1-SG 3.52Å; H272-C367 PolarHBondContact ND1-SG 2.87Å; H272-V369 HydrophobicContact CB-CB 4.15Å; H272-V369 HydrophobicContact CB-CG1 4.26Å; H272-V369 HydrophobicContact CB-CG2 4.17Å; H272-H370 AromaticContact CD2-CE1 3.97Å; H272-H370 AromaticContact CE1-CE1 3.19Å; H272-H370 PolarHBondContact CE1-CE1 3.43Å; H272-H370 AromaticContact CE1-ND1 3.46Å; H272-H370 PolarHBondContact CE1-ND1 3.16Å; H272-H370 AromaticContact CG-CE1 3.91Å; H272-H370 AromaticContact ND1-CE1 3.42Å; H272-H370 PolarHBondContact ND1-CE1 3.33Å; H272-H370 AromaticContact ND1-ND1 3.34Å; H272-H370 PolarHBondContact ND1-ND1 3.37Å; H272-H370 AromaticContact NE2-CE1 3.54Å
273G87Confident75.8Confident38 Ų3851.2 Ų51.239%0.39230%0.302SS..Hα-helixtrans-58.3-25.3177.800000114.7T269 L270 I271T269-G273 PolarHBondContact O-N 3.41Å; T269-G273 VanDerWaalsContact O-N 3.09Å; L270-G273 PolarHBondContact O-N 3.48Å; I271-G273 VanDerWaalsContact C-N 3.32Å; I271-G273 PolarHBondContact O-N 2.79Å
274H87.4Confident73.2Confident51 Ų5158.9 Ų58.924%0.23634%0.338CS..Hα-helixtrans-93.1-4.9174.5-65.3150.5000114.5H205 L217 A218 H248 L270 I271 H272H205-H274 PolarHBondContact CE1-O 3.31Å; L217-H274 WeakPolarHBondContact CB-ND1 3.48Å; L217-H274 PolarHBondContact N-ND1 3.34Å; A218-H274 HydrophobicContact CB-CB 3.98Å; H248-H274 AromaticContact CD2-CE1 3.76Å; H248-H274 AromaticContact CE1-CE1 3.58Å; H248-H274 AromaticContact CE1-NE2 3.49Å; H248-H274 PolarHBondContact CE1-NE2 3.05Å; H248-H274 AromaticContact NE2-CE1 3.37Å; H248-H274 PolarHBondContact NE2-CE1 2.95Å; H248-H274 AromaticContact NE2-NE2 3.73Å; L270-H274 PolarHBondContact O-N 3.3Å; I271-H274 CarbonylContact O-C 3.6Å; I271-H274 PolarHBondContact O-N 3.48Å; H272-H274 PolarHBondContact O-N 2.76Å; H272-H274 VanDerWaalsContact O-N 3.11Å
275L80.4Confident70.6Confident6 Ų666.1 Ų66.13%0.03138%0.377CS..Hα-helixtrans-108-7.8178.3-68.8163.1000112.5Y199 A218 I271 H272 C367 I368 V369Y199-L275 HydrophobicContact CE1-CD2 3.91Å; Y199-L275 WeakPolarHBondContact OH-CD2 3.48Å; A218-L275 HydrophobicContact CB-CD2 3.76Å; A218-L275 HydrophobicContact CB-CG 3.92Å; I271-L275 HydrophobicContact CB-CD1 4.26Å; I271-L275 HydrophobicContact CG1-CD1 4.27Å; I271-L275 WeakPolarHBondContact O-CB 3.29Å; I271-L275 VanDerWaalsContact O-CD1 3.3Å; I271-L275 WeakPolarHBondContact O-CD1 3.49Å; I271-L275 WeakPolarHBondContact O-CG 3.48Å; I271-L275 PolarHBondContact O-N 3.09Å; H272-L275 CarbonylContact O-C 3.56Å; H272-L275 WeakPolarHBondContact O-CA 3.38Å; H272-L275 PolarHBondContact O-N 3.46Å; L275-C367 HydrophobicContact CB-CB 4.09Å; L275-I368 HydrophobicContact CD1-CG2 3.65Å; L275-I368 HydrophobicContact CD2-CG2 4.38Å; L275-V369 HydrophobicContact CD1-CG2 3.77Å
276V67.4Low68Low86 Ų8673.2 Ų73.252%0.52141%0.409SS..THydrogen-bonded Turntrans-70135.3176.3-175.90000110.7H272H272-V276 WeakPolarHBondContact CE1-CG2 3.49Å; H272-V276 VanDerWaalsContact O-CG2 3.24Å; H272-V276 WeakPolarHBondContact O-CG2 3.32Å; H272-V276 PolarHBondContact O-N 2.95Å; H272-V276 VanDerWaalsContact O-N 3.09Å
277G54.9Low65Low70 Ų7079 Ų7972%0.72244%0.439SS*.THydrogen-bonded Turntrans98.39.417500000114.6E279G277-E279 PolarHBondContact O-N 2.87Å
278E53.1Low61.8Low46 Ų4684.5 Ų84.522%0.21548%0.476CS..  trans-77.2111171-67.7-167.7-179.500110.1Y199 H205 R206 S280Y199-E278 PolarHBondContact OH-OE1 2.86Å; Y199-E278 PolarHBondContact OH-OE2 3.28Å; H205-E278 VanDerWaalsContact CA-OE1 3.23Å; H205-E278 WeakPolarHBondContact CA-OE1 3.46Å; H205-E278 IonicContact CE1-OE1 3.66Å; H205-E278 IonicContact CG-OE1 3.8Å; H205-E278 IonicContact ND1-OE1 3.77Å; H205-E278 PolarHBondContact ND1-OE1 3.05Å; R206-E278 PolarHBondContact N-OE1 3.42Å; E278-S280 PolarHBondContact O-N 3.23Å
279E46.9Very low58.6Low154 Ų15490.3 Ų90.372%0.7251%0.512SS*.  trans-57.8127.1164.1-67.8-179.2174.700108.3G277 H282G277-E279 PolarHBondContact O-N 2.87Å; E279-H282 IonicContact OE2-CD2 2.68Å
280S47.8Very low55.5Low72 Ų7294.4 Ų94.450%0.50353%0.53SS..  trans-45.2139.4167.968.80000109.1E278 H282E278-S280 PolarHBondContact O-N 3.23Å; S280-H282 PolarHBondContact O-N 3.44Å
281P45.2Very low52.3Low96 Ų9699.2 Ų99.262%0.62356%0.564SS**  trans-55.199.2-176.817-28.6000110.5R141R141-P281 PolarHBondContact NH1-O 2.97Å; R141-P281 PolarHBondContact NH2-O 3.34Å
282H41.5Very low49.2Very low116 Ų116102.2 Ų102.254%0.53760%0.596SS.*  trans-63.5150.2-176.9-91.3-71.8000110.8E279 S280 H284E279-H282 IonicContact OE2-CD2 2.68Å; S280-H282 PolarHBondContact O-N 3.44Å; H282-H284 PolarHBondContact O-N 3.22Å
283D43.5Very low46.2Very low118 Ų118109.1 Ų109.163%0.63163%0.628SS**SBendtrans-63.629.2-177.3-82.2-30.2000115.5R141 D285R141-D283 IonicContact CZ-OD1 2.73Å; R141-D283 IonicContact NH2-OD1 3.71Å; R141-D283 PolarHBondContact NH2-OD1 3.17Å; D283-D285 PolarHBondContact O-N 3.13Å
284H40Very low43.3Very low164 Ų164117.3 Ų117.376%0.75965%0.653SS**G310 helixtrans-71.5-1.9-171.9-86.3-59.7000116.1H282H282-H284 PolarHBondContact O-N 3.22Å
285D41.9Very low40.3Very low153 Ų153122.7 Ų122.782%0.81868%0.682SS**G310 helixtrans-85.2-2-179.4-80.4-26000115.5D283 N287D283-D285 PolarHBondContact O-N 3.13Å; D285-N287 PolarHBondContact O-N 3.27Å
286E40.6Very low37.5Very low183 Ų183130.1 Ų130.186%0.85572%0.72SS**G310 helixtrans-70.9-11.3177.3-72.8-157.7151.100114.5
287N31.1Very low35.5Very low148 Ų148132.7 Ų132.779%0.79173%0.731SS**G310 helixtrans-101.812.5-175.6-96.9-8.3000116.5D285 T289D285-N287 PolarHBondContact O-N 3.27Å; N287-T289 PolarHBondContact O-N 3.3Å; N287-T289 PolarHBondContact O-OG1 2.92Å
288C29.3Very low34Very low116 Ų116135.8 Ų135.878%0.78473%0.731SS**  trans-77.777.8173.6-143.60000110.6L290C288-L290 PolarHBondContact O-N 3.3Å; C288-L290 VanDerWaalsContact O-N 3.14Å
289T27.4Very low32.5Very low124 Ų124142.2 Ų142.276%0.76176%0.761SS**  trans-65.4111173.3-29.90000108.6N287 P291N287-T289 PolarHBondContact O-N 3.3Å; N287-T289 PolarHBondContact O-OG1 2.92Å; T289-P291 VanDerWaalsContact O-CD 3.28Å; T289-P291 WeakPolarHBondContact O-CD 3.32Å; T289-P291 VanDerWaalsContact O-N 3.17Å
290L26.3Very low31.4Very low160 Ų160144.6 Ų144.684%0.83877%0.769SS**  trans-52115.5177.3-75.6156.8000111.1C288 G292C288-L290 PolarHBondContact O-N 3.3Å; C288-L290 VanDerWaalsContact O-N 3.14Å; L290-G292 PolarHBondContact O-N 2.87Å
291P26.3Very low30.2Very low134 Ų134150.3 Ų150.387%0.8779%0.787SS**SBendtrans-8088.6173.730.5-28.4000108.2T289T289-P291 VanDerWaalsContact O-CD 3.28Å; T289-P291 WeakPolarHBondContact O-CD 3.32Å; T289-P291 VanDerWaalsContact O-N 3.17Å
292G26.4Very low29.3Very low67 Ų67151.2 Ų151.269%0.69180%0.796SS**  trans-173.924-175.300000118.4L290L290-G292 PolarHBondContact O-N 2.87Å
293Q26.4Very low28.4Very low189 Ų189150.8 Ų150.888%0.88381%0.806SS**  trans-143.867.3169.4-76.2-174-1300111.1
294K25Very low27.5Very low211 Ų211152.3 Ų152.392%0.91781%0.814SS**  trans-104.896.7153.5-84.9-172.4176-178.60107.8
295L24.3Very low26.8Very low163 Ų163149.5 Ų149.585%0.85381%0.811SS**  trans-49.6134.6165.3-85.2142.5000110N297L295-N297 PolarHBondContact O-N 2.76Å
296I21.6Very low26.1Very low162 Ų162150 Ų15083%0.83181%0.814SS**  trans-51.9117.7168.9-63.3155.9000108.3
297N25.3Very low25.2Very low141 Ų141152.3 Ų152.375%0.75481%0.814SS**  trans-145.6116.7158.1-89.9-12.5000108.4L295L295-N297 PolarHBondContact O-N 2.76Å
298D25.1Very low24.9Very low135 Ų135152.9 Ų152.972%0.72282%0.818SS**  trans66.499.4141.7-52.2-29.9000120.4
299E19.7Very low24.5Very low181 Ų181157 Ų15785%0.84682%0.822SS**  22.6110.8122.9-58.6-173.616000117.5
300K25.1Very low24.3Very low204 Ų204158.4 Ų158.489%0.88782%0.824SS**  trans-166.9125.6134.3-105.1158.7-168.6179.50112.1
301H22.6Very low24Very low191 Ų191156 Ų15688%0.88482%0.82SS**  trans-15.4129163-63.8-80000117.8
302S25.4Very low23.9Very low116 Ų116154.7 Ų154.781%0.81181%0.81SS**  175.8127.1112.6-177.60000110.7
303S22.3Very low23.8Very low107 Ų107158.4 Ų158.475%0.74881%0.814SS**  trans-52.3134.2171.741.50000115.3
304N25.7Very low23.6Very low149 Ų149157.1 Ų157.180%0.79781%0.808SS**  trans-160.8121.3132-150.32.2000111.2
305P25.5Very low23.7Very low105 Ų105154.5 Ų154.568%0.68280%0.804SS**  trans-95.5124.4175.833.7-24.7000110.3
306N26.5Very low23.6Very low165 Ų165153.3 Ų153.388%0.88280%0.798SS**  trans-139104.9156.4-100-25.3000110.1
307R21.8Very low23.8Very low231 Ų231152.8 Ų152.887%0.87280%0.796SS**  trans-86.4128.5177.3-176-176.6-170.9-177.32.5107
308N24.9Very low23.6Very low160 Ų160153.3 Ų153.386%0.85679%0.793SS**  trans-159.892.1151.3-91.7-22.9000109.2
309F20.9Very low23.8Very low202 Ų202155.3 Ų155.389%0.88680%0.798SS**  trans-86.9123.3165.8-119.1-102000106.7
310I22.6Very low23.9Very low153 Ų153154.2 Ų154.279%0.78579%0.793SS**  trans-117.5114.4165.5-62.1178.7000107
311S20Very low24.1Very low110 Ų110152.2 Ų152.277%0.76979%0.786SS**  trans-119.2125.7171.9-178.60000107.3
312T24.6Very low24.2Very low107 Ų107151 Ų15166%0.65678%0.78SS**  trans-162.5141.5175.3350000105.9
313N24.4Very low24Very low144 Ų144154.1 Ų154.177%0.7778%0.782SS**  cis-162144.9-1.1-117.8-30.7000106.8
314H23.2Very low24.2Very low162 Ų162158.2 Ų158.275%0.7579%0.79SS**  trans-64.2139.3167.2-101.7-89.9000110.7
315N26Very low24.1Very low157 Ų157159.4 Ų159.484%0.8479%0.79SS**  trans-132.3104.5157.3-88.8-28.5000109.5
316L22.5Very low24Very low138 Ų138162.4 Ų162.472%0.72380%0.8SS**  trans-86.5131.1164.4-90.6132.2000108.1
317L24.8Very low23.7Very low151 Ų151159.2 Ų159.279%0.79179%0.791SS**  trans-124.5107.8164-102.2123.6000109.4
318H22.7Very low23.9Very low152 Ų152157.5 Ų157.570%0.70479%0.793SS**  trans-83.1128.8166.3-109.1-86.4000108.5
319H28Very low23.6Very low177 Ų177154 Ų15482%0.81979%0.787SS**  trans-132.2111.3157.5-99-65.5000110.6
320H23.2Very low23.7Very low158 Ų158152 Ų15273%0.73178%0.783SS**  trans-89.2135.3167.5-109.8-69.4000108.8
321H28Very low23.6Very low161 Ų161155.4 Ų155.475%0.74579%0.786SS**  trans-178.1105.2146.4-101.9-65.5000107.8
322Q24.5Very low23.7Very low165 Ų165158.3 Ų158.377%0.77179%0.788SS**  101.2109.688.9-111.2173.5600111.7
323Q22.1Very low23.5Very low183 Ų183158.8 Ų158.886%0.85579%0.79SS**  trans-74.7135.7171.6-68.4164.5-4.300110
324Q26.1Very low23.2Very low192 Ų192157.1 Ų157.190%0.89779%0.79SS**  trans-137.6117.6152.6-77.3-170.4-6.800109.7
325H23.1Very low23.3Very low174 Ų174158.6 Ų158.681%0.80679%0.794SS**  trans-61.2133164.4-99.8-103.4000109.9
326N23.2Very low23.1Very low168 Ų168158.9 Ų158.990%0.89879%0.794SS**  trans-148.9117.8147.4-120.5-8.6000110.4
327S20.2Very low23.2Very low99 Ų99158.7 Ų158.769%0.69279%0.793SS**  trans-108.4118.7178.7390000108.1
328Q26.6Very low22.9Very low194 Ų194158.9 Ų158.991%0.90779%0.794SS**  trans-160.5117.9159.2-114.8167.20.800110.5
329A19.4Very low23Very low88 Ų88156.1 Ų156.173%0.72779%0.792SS**  trans-76.6150.9168.500000110.5
330I22.6Very low22.7Very low158 Ų158154.1 Ų154.181%0.8179%0.793SS**  trans171.9106.3150.9-86.5146.9000105.1
331R20.2Very low22.7Very low226 Ų226155 Ų15585%0.85380%0.797SS**  60.3128.393.6-95-173-174-175.82.4114.6
332E22.1Very low22.3Very low171 Ų171152.8 Ų152.880%0.79980%0.798SS**  trans115.5101.2152.5-68.4175.6-170.800119.5
333T20.5Very low22.3Very low116 Ų116152.2 Ų152.271%0.71280%0.799SS**  68.8102.4118.6-28.20000119.9
334S18.6Very low22.3Very low109 Ų109149 Ų14976%0.76279%0.794SS**  trans41.596.5131.7-43.30000118.7
335K25.8Very low22.2Very low193 Ų193148.5 Ų148.584%0.83979%0.792SS**  trans-136.6110146-80.3-171.5179.7172.30110.9I337K335-I337 PolarHBondContact O-N 3.2Å
336I20.4Very low22.4Very low163 Ų163146 Ų14684%0.83679%0.791SS**  trans-59.9114.7164.8-64.2158.6000107.4
337I24.3Very low22.5Very low135 Ų135145.2 Ų145.269%0.69279%0.787SS**  trans-129.4108164-62.2-179.9000107.3K335 S339K335-I337 PolarHBondContact O-N 3.2Å; I337-S339 PolarHBondContact O-N 3.5Å; I337-S339 VanDerWaalsContact O-N 3.13Å
338N20.3Very low22.7Very low154 Ų154146.2 Ų146.282%0.82479%0.794SS**  trans-52.1110.3163.3-77.8-19.5000109.2
339S24.2Very low22.6Very low95 Ų95144.5 Ų144.566%0.66479%0.791SS**  trans-133.2105.7159.632.10000107.8I337 E341I337-S339 PolarHBondContact O-N 3.5Å; I337-S339 VanDerWaalsContact O-N 3.13Å; S339-E341 VanDerWaalsContact C-N 3.28Å; S339-E341 PolarHBondContact O-N 2.93Å
340T21.8Very low23Very low134 Ų134145.5 Ų145.582%0.82279%0.793SS**  trans-67.983.3173.8-43.20000107.9C342T340-C342 PolarHBondContact O-N 2.7Å
341E22.5Very low23.1Very low177 Ų177147.1 Ų147.183%0.82780%0.797SS**  trans-79.699166.2-82.8-174.216100108.2S339 I343S339-E341 VanDerWaalsContact C-N 3.28Å; S339-E341 PolarHBondContact O-N 2.93Å; E341-I343 PolarHBondContact O-N 3.12Å
342C20.8Very low23.3Very low114 Ų114140.8 Ų140.877%0.7779%0.793SS**PPolyproline II helixtrans-57118170-81.80000109.8T340T340-C342 PolarHBondContact O-N 2.7Å
343I22.9Very low23.4Very low154 Ų154137.9 Ų137.979%0.7979%0.791SS**PPolyproline II helixtrans-62.5127.2168.6-60.4172000107.7E341 Q345E341-I343 PolarHBondContact O-N 3.12Å; I343-Q345 PolarHBondContact O-N 3.4Å
344P22.8Very low23.7Very low116 Ų116137.1 Ų137.175%0.75379%0.791SS**PPolyproline II helixtrans-61.2126-179.3-18.329.6000110.6
345Q23.4Very low24.1Very low181 Ų181138.2 Ų138.285%0.84679%0.792SS**PPolyproline II helixtrans-66.5130.1168.4-66.7-111.1-63.600108.5I343I343-Q345 PolarHBondContact O-N 3.4Å
346P26.9Very low24Very low121 Ų121132.8 Ų132.879%0.78678%0.779SS**PPolyproline II helixtrans-68.8137.9178.125.4-30.1000110.9S348P346-S348 PolarHBondContact O-N 3.32Å
347D25.3Very low24.4Very low152 Ų152130.5 Ų130.581%0.81378%0.778SS**PPolyproline II helixtrans-52.6133.7-179.4-69.2-47000112.3N349D347-N349 PolarHBondContact O-N 3.11Å
348S24.6Very low24.5Very low120 Ų120127.6 Ų127.684%0.83977%0.769SS**THydrogen-bonded Turntrans-73.941.4-166.647.40000115.9P346P346-S348 PolarHBondContact O-N 3.32Å
349N25.1Very low24.9Very low158 Ų158132.1 Ų132.185%0.84578%0.775SS**THydrogen-bonded Turntrans-128.612.4-175.6-104.2-0.3000117.4D347D347-N349 PolarHBondContact O-N 3.11Å
350S27.3Very low25.4Very low109 Ų109135.2 Ų135.276%0.76278%0.779SS**  trans-94100.3163.752.10000109.3A352S350-A352 VanDerWaalsContact C-N 3.32Å; S350-A352 PolarHBondContact O-N 2.81Å
351Q25.5Very low26Very low191 Ų191134.1 Ų134.189%0.89378%0.777SS**  trans-55.397.4166.5-73.6175.6-6.700108.4S353Q351-S353 VanDerWaalsContact C-N 3.3Å; Q351-S353 PolarHBondContact O-N 2.93Å
352A23.5Very low27Very low94 Ų94130.2 Ų130.278%0.77777%0.769SS**  trans-69.396.516500000105.9S350 S354S350-A352 VanDerWaalsContact C-N 3.32Å; S350-A352 PolarHBondContact O-N 2.81Å; A352-S354 VanDerWaalsContact C-N 3.29Å; A352-S354 PolarHBondContact O-N 2.95Å
353S24.4Very low28.6Very low109 Ų109132.8 Ų132.876%0.76278%0.775SS**  trans-58.899.4167.436.20000107.2Q351 V355Q351-S353 VanDerWaalsContact C-N 3.3Å; Q351-S353 PolarHBondContact O-N 2.93Å; S353-V355 PolarHBondContact O-N 3.49Å
354S26.3Very low30.7Very low101 Ų101130.5 Ų130.571%0.70677%0.772SS**  trans-52.7120.1170.150.10000108A352 S356A352-S354 VanDerWaalsContact C-N 3.29Å; A352-S354 PolarHBondContact O-N 2.95Å; S354-S356 PolarHBondContact O-N 3.08Å
355V27.3Very low33.4Very low131 Ų131127 Ų12779%0.79475%0.75SS**  trans-70.379.8169.1-177.60000106.7S353 S357S353-V355 PolarHBondContact O-N 3.49Å; V355-S357 PolarHBondContact O-N 2.72Å
356S24.9Very low35.9Very low79 Ų79122.6 Ų122.655%0.55273%0.733SS**  trans-68.6125.1162.648.10000106.8S354 S358S354-S356 PolarHBondContact O-N 3.08Å; S356-S358 PolarHBondContact O-N 2.78Å; S356-S358 PolarHBondContact O-OG 3.33Å
357S27.8Very low38.7Very low116 Ų116117.1 Ų117.181%0.81170%0.697SS**  trans-67.762.8167.248.40000110V355 R359V355-S357 PolarHBondContact O-N 2.72Å; S357-R359 PolarHBondContact O-N 2.84Å; S357-R359 VanDerWaalsContact O-N 3.11Å
358S27Very low41.6Very low74 Ų74110.6 Ų110.652%0.51766%0.662SS.*  trans-66110.4166.839.10000106.7S356 E360S356-S358 PolarHBondContact O-N 2.78Å; S356-S358 PolarHBondContact O-OG 3.33Å; S358-E360 PolarHBondContact O-N 2.88Å
359R29.3Very low44.7Very low249 Ų249104.9 Ų104.994%0.9462%0.622SS**  trans-6357.6172-68.5173.8168.2166.6-5.8110.9S357 S361S357-R359 PolarHBondContact O-N 2.84Å; S357-R359 VanDerWaalsContact O-N 3.11Å; R359-S361 PolarHBondContact O-N 3.01Å
360E33Very low47.7Very low160 Ų16099.1 Ų99.175%0.74859%0.59SS**  trans-70.9117169.1-72.3-172.2171.700107.1S358 S362S358-E360 PolarHBondContact O-N 2.88Å; E360-S362 PolarHBondContact O-N 3.23Å
361S35.6Very low50.5Low111 Ų11197.4 Ų97.478%0.77657%0.57SS**  trans-68.153.5-175.254.90000113R359 D363R359-S361 PolarHBondContact O-N 3.01Å; S361-D363 PolarHBondContact O-N 3.44Å
362S42.8Very low53.6Low95 Ų9588.3 Ų88.366%0.66453%0.527SS*.  trans-86.289.7163.470.50000107.9E360 S364E360-S362 PolarHBondContact O-N 3.23Å; S362-S364 PolarHBondContact O-N 2.88Å
363D54.4Low56.9Low168 Ų16883.9 Ų83.990%0.89849%0.49SS*.SBendtrans-61.719.2-173-105.3-8.1000116.4S361S361-D363 PolarHBondContact O-N 3.44Å
364S67.3Low60.1Low105 Ų10581 Ų8173%0.73446%0.464SS*.  trans-165.198.3170.559.70000110.8S362S362-S364 PolarHBondContact O-N 2.88Å
365C79.4Confident63.2Low42 Ų4276.1 Ų76.128%0.28443%0.431SS..  trans-78.3131.6166-178.40000109.6H272 C367 H370H272-C365 VanDerWaalsContact CE1-SG 3.52Å; C365-C367 VanDerWaalsContact SG-SG 3.64Å; C365-H370 WeakPolarHBondContact CB-ND1 3.34Å; C365-H370 PolarHBondContact SG-ND1 2.9Å
366D76.1Confident66.3Low90 Ų9072.7 Ų72.748%0.48141%0.408SS..  trans-101.610.9-178.966.2-18.5000113.4Q371D366-Q371 PolarHBondContact O-NE2 3.28Å
367C84.9Confident69.7Low6 Ų669.5 Ų69.54%0.04138%0.384CS..SBendtrans-65.1154.1179.580.70000111.8H272 L275 C365 V369 H370 Q371H272-C367 PolarHBondContact ND1-SG 2.87Å; L275-C367 HydrophobicContact CB-CB 4.09Å; C365-C367 VanDerWaalsContact SG-SG 3.64Å; C367-V369 PolarHBondContact O-N 2.78Å; C367-V369 VanDerWaalsContact O-N 3.09Å; C367-H370 PolarHBondContact O-N 3.35Å; C367-H370 PolarHBondContact SG-N 3.08Å; C367-H370 PolarHBondContact SG-ND1 3.31Å; C367-Q371 WeakPolarHBondContact O-CG 3.28Å; C367-Q371 PolarHBondContact O-N 2.84Å
368I86Confident72.9Confident14 Ų1465 Ų657%0.07235%0.351CS..Hα-helixtrans-57.1-30-178.2-17065000113.4V195 L196 Y199 L275 V372V195-I368 HydrophobicContact CG1-CD1 3.83Å; L196-I368 HydrophobicContact CD1-CG1 4.26Å; L196-I368 HydrophobicContact CD1-CG2 4.15Å; Y199-I368 HydrophobicContact CD1-CB 4.28Å; Y199-I368 HydrophobicContact CD1-CG1 4.15Å; Y199-I368 HydrophobicContact CD1-CG2 3.8Å; Y199-I368 HydrophobicContact CD2-CB 4.11Å; Y199-I368 HydrophobicContact CD2-CD1 4.2Å; Y199-I368 HydrophobicContact CD2-CG1 4.03Å; Y199-I368 HydrophobicContact CD2-CG2 4.42Å; Y199-I368 HydrophobicContact CE1-CB 4.45Å; Y199-I368 HydrophobicContact CE1-CG2 3.73Å; Y199-I368 HydrophobicContact CE2-CB 4.27Å; Y199-I368 HydrophobicContact CE2-CG2 4.35Å; Y199-I368 HydrophobicContact CG-CB 4.13Å; Y199-I368 HydrophobicContact CG-CD1 4.22Å; Y199-I368 HydrophobicContact CG-CG1 3.75Å; Y199-I368 HydrophobicContact CG-CG2 4.16Å; L275-I368 HydrophobicContact CD1-CG2 3.65Å; L275-I368 HydrophobicContact CD2-CG2 4.38Å; I368-V372 HydrophobicContact CD1-CG2 4.06Å; I368-V372 HydrophobicContact CG1-CG2 4.19Å; I368-V372 WeakPolarHBondContact O-CB 3.39Å; I368-V372 WeakPolarHBondContact O-CG2 3.42Å; I368-V372 PolarHBondContact O-N 2.88Å
369V89.9Confident76.1Confident1 Ų161.9 Ų61.91%0.00633%0.329CS..Hα-helixtrans-65.2-49176.7178.20000111L268 I271 H272 L275 C367 V372 F373L268-V369 HydrophobicContact CB-CG1 4.26Å; L268-V369 HydrophobicContact CD2-CG1 4.26Å; I271-V369 HydrophobicContact CD1-CG2 3.86Å; I271-V369 HydrophobicContact CG1-CG2 3.62Å; H272-V369 HydrophobicContact CB-CB 4.15Å; H272-V369 HydrophobicContact CB-CG1 4.26Å; H272-V369 HydrophobicContact CB-CG2 4.17Å; L275-V369 HydrophobicContact CD1-CG2 3.77Å; C367-V369 PolarHBondContact O-N 2.78Å; C367-V369 VanDerWaalsContact O-N 3.09Å; V369-V372 PolarHBondContact O-N 3.5Å; V369-F373 HydrophobicContact CG1-CD2 4.4Å; V369-F373 PolarHBondContact O-N 2.77Å
370H88.3Confident79.3Confident37 Ų3750.9 Ų50.917%0.17129%0.289CS..Hα-helixtrans-63.1-43.8177.4-80104.3000111H272 C365 C367 V372 F374H272-H370 AromaticContact CD2-CE1 3.97Å; H272-H370 AromaticContact CE1-CE1 3.19Å; H272-H370 PolarHBondContact CE1-CE1 3.43Å; H272-H370 AromaticContact CE1-ND1 3.46Å; H272-H370 PolarHBondContact CE1-ND1 3.16Å; H272-H370 AromaticContact CG-CE1 3.91Å; H272-H370 AromaticContact ND1-CE1 3.42Å; H272-H370 PolarHBondContact ND1-CE1 3.33Å; H272-H370 AromaticContact ND1-ND1 3.34Å; H272-H370 PolarHBondContact ND1-ND1 3.37Å; H272-H370 AromaticContact NE2-CE1 3.54Å; C365-H370 WeakPolarHBondContact CB-ND1 3.34Å; C365-H370 PolarHBondContact SG-ND1 2.9Å; C367-H370 PolarHBondContact O-N 3.35Å; C367-H370 PolarHBondContact SG-N 3.08Å; C367-H370 PolarHBondContact SG-ND1 3.31Å; H370-V372 PolarHBondContact O-N 3.43Å; H370-F374 HydrophobicContact CB-CB 4.49Å; H370-F374 HydrophobicContact CB-CD2 4.16Å; H370-F374 HydrophobicContact CB-CG 4.37Å; H370-F374 AromaticContact CD2-CD1 3.23Å; H370-F374 WeakPolarHBondContact CD2-CD1 3.33Å; H370-F374 AromaticContact CD2-CD2 3.17Å; H370-F374 WeakPolarHBondContact CD2-CD2 3.28Å; H370-F374 AromaticContact CD2-CE1 3.28Å; H370-F374 WeakPolarHBondContact CD2-CE1 3.44Å; H370-F374 AromaticContact CD2-CE2 3.19Å; H370-F374 WeakPolarHBondContact CD2-CE2 3.3Å; H370-F374 AromaticContact CD2-CG 3.17Å; H370-F374 WeakPolarHBondContact CD2-CG 3.29Å; H370-F374 AromaticContact CD2-CZ 3.27Å; H370-F374 WeakPolarHBondContact CD2-CZ 3.5Å; H370-F374 AromaticContact CE1-CE2 3.9Å; H370-F374 AromaticContact CE1-CZ 3.82Å; H370-F374 AromaticContact CG-CD2 3.7Å; H370-F374 AromaticContact CG-CE2 3.8Å; H370-F374 AromaticContact NE2-CD1 3.67Å; H370-F374 AromaticContact NE2-CD2 3.81Å; H370-F374 AromaticContact NE2-CE1 3.15Å; H370-F374 WeakPolarHBondContact NE2-CE1 3.35Å; H370-F374 AromaticContact NE2-CE2 3.28Å; H370-F374 VanDerWaalsContact NE2-CE2 3.28Å; H370-F374 WeakPolarHBondContact NE2-CE2 3.36Å; H370-F374 AromaticContact NE2-CG 3.96Å; H370-F374 AromaticContact NE2-CZ 2.94Å; H370-F374 WeakPolarHBondContact NE2-CZ 3.32Å; H370-F374 WeakPolarHBondContact O-CB 3.41Å; H370-F374 PolarHBondContact O-N 2.87Å
371Q86Confident82.3Confident72 Ų7245 Ų4534%0.33626%0.263SS..Hα-helixtrans-60.2-30.2175.8-64.6-174.82900113.1G137 D366 C367 N450G137-Q371 VanDerWaalsContact CA-OE1 3.25Å; G137-Q371 PolarHBondContact O-OE1 3.13Å; D366-Q371 PolarHBondContact O-NE2 3.28Å; C367-Q371 WeakPolarHBondContact O-CG 3.28Å; C367-Q371 PolarHBondContact O-N 2.84Å; Q371-N450 PolarHBondContact O-ND2 3.13Å
372V90.6Very high85.1Confident0 Ų041.1 Ų41.10%024%0.235CC..Hα-helixtrans-92.7-48.6-175.2176.40000112.7T193 V195 I368 V369 H370 N450 V451T193-V372 HydrophobicContact CG2-CG1 3.83Å; V195-V372 HydrophobicContact CB-CG2 3.72Å; V195-V372 HydrophobicContact CG1-CG2 3.52Å; I368-V372 HydrophobicContact CD1-CG2 4.06Å; I368-V372 HydrophobicContact CG1-CG2 4.19Å; I368-V372 WeakPolarHBondContact O-CB 3.39Å; I368-V372 WeakPolarHBondContact O-CG2 3.42Å; I368-V372 PolarHBondContact O-N 2.88Å; V369-V372 PolarHBondContact O-N 3.5Å; H370-V372 PolarHBondContact O-N 3.43Å; V372-N450 CarbonylContact O-C 3.52Å; V372-N450 WeakPolarHBondContact O-CB 3.47Å; V372-N450 PolarHBondContact O-N 3.05Å; V372-N450 VanDerWaalsContact O-N 3.12Å; V372-V451 HydrophobicContact CG1-CB 3.95Å; V372-V451 HydrophobicContact CG1-CG2 3.55Å; V372-V451 PolarHBondContact O-N 3.07Å
373F93.8Very high87.6Confident1 Ų137.5 Ų37.50%0.00421%0.207CC..Hα-helixtrans-110.6-13.8-165.5-65-84.4000114.9L190 T193 L196 L268 V369 L397 P449 V451L190-F373 HydrophobicContact CD2-CE1 4.38Å; L190-F373 HydrophobicContact CD2-CE2 4.3Å; L190-F373 HydrophobicContact CD2-CZ 3.68Å; T193-F373 HydrophobicContact CG2-CZ 3.95Å; L196-F373 HydrophobicContact CD2-CE2 4.1Å; L196-F373 HydrophobicContact CD2-CZ 4.47Å; L268-F373 HydrophobicContact CD1-CD1 4.16Å; L268-F373 HydrophobicContact CD1-CD2 4.27Å; L268-F373 HydrophobicContact CD1-CE1 4.4Å; L268-F373 HydrophobicContact CD1-CG 4.09Å; L268-F373 HydrophobicContact CD2-CD2 3.85Å; L268-F373 HydrophobicContact CD2-CE2 3.67Å; L268-F373 HydrophobicContact CD2-CG 4.5Å; L268-F373 HydrophobicContact CD2-CZ 4.17Å; V369-F373 HydrophobicContact CG1-CD2 4.4Å; V369-F373 PolarHBondContact O-N 2.77Å; F373-L397 HydrophobicContact CB-CD2 3.54Å; F373-P449 WeakPolarHBondContact O-CB 3.5Å; F373-V451 HydrophobicContact CD1-CB 3.96Å; F373-V451 HydrophobicContact CD1-CG1 3.79Å; F373-V451 HydrophobicContact CE1-CB 3.95Å; F373-V451 HydrophobicContact CE1-CG1 3.46Å; F373-V451 VanDerWaalsContact CE1-CG1 3.46Å; F373-V451 HydrophobicContact CZ-CG1 4.36Å
374F91.5Very high89.5Confident48 Ų4834.3 Ų34.321%0.21119%0.187CC..  trans-82.9127.9-176.1-91-114.6000113H370 P395 F396 L397 H447 P449H370-F374 HydrophobicContact CB-CB 4.49Å; H370-F374 HydrophobicContact CB-CD2 4.16Å; H370-F374 HydrophobicContact CB-CG 4.37Å; H370-F374 AromaticContact CD2-CD1 3.23Å; H370-F374 WeakPolarHBondContact CD2-CD1 3.33Å; H370-F374 AromaticContact CD2-CD2 3.17Å; H370-F374 WeakPolarHBondContact CD2-CD2 3.28Å; H370-F374 AromaticContact CD2-CE1 3.28Å; H370-F374 WeakPolarHBondContact CD2-CE1 3.44Å; H370-F374 AromaticContact CD2-CE2 3.19Å; H370-F374 WeakPolarHBondContact CD2-CE2 3.3Å; H370-F374 AromaticContact CD2-CG 3.17Å; H370-F374 WeakPolarHBondContact CD2-CG 3.29Å; H370-F374 AromaticContact CD2-CZ 3.27Å; H370-F374 WeakPolarHBondContact CD2-CZ 3.5Å; H370-F374 AromaticContact CE1-CE2 3.9Å; H370-F374 AromaticContact CE1-CZ 3.82Å; H370-F374 AromaticContact CG-CD2 3.7Å; H370-F374 AromaticContact CG-CE2 3.8Å; H370-F374 AromaticContact NE2-CD1 3.67Å; H370-F374 AromaticContact NE2-CD2 3.81Å; H370-F374 AromaticContact NE2-CE1 3.15Å; H370-F374 WeakPolarHBondContact NE2-CE1 3.35Å; H370-F374 AromaticContact NE2-CE2 3.28Å; H370-F374 VanDerWaalsContact NE2-CE2 3.28Å; H370-F374 WeakPolarHBondContact NE2-CE2 3.36Å; H370-F374 AromaticContact NE2-CG 3.96Å; H370-F374 AromaticContact NE2-CZ 2.94Å; H370-F374 WeakPolarHBondContact NE2-CZ 3.32Å; H370-F374 WeakPolarHBondContact O-CB 3.41Å; H370-F374 PolarHBondContact O-N 2.87Å; F374-P395 HydrophobicContact CD1-CB 3.84Å; F374-P395 HydrophobicContact CE1-CB 3.9Å; F374-F396 WeakPolarHBondContact CA-O 3.35Å; F374-L397 HydrophobicContact CD2-CD2 3.35Å; F374-L397 HydrophobicContact CD2-CG 4.07Å; F374-L397 HydrophobicContact CE2-CD1 4.11Å; F374-L397 HydrophobicContact CE2-CD2 3.28Å; F374-L397 HydrophobicContact CE2-CG 3.66Å; F374-L397 HydrophobicContact CG-CD2 4.36Å; F374-L397 HydrophobicContact CZ-CD1 4.44Å; F374-L397 HydrophobicContact CZ-CD2 4.2Å; F374-L397 HydrophobicContact CZ-CG 4.11Å; F374-H447 PolarHBondContact O-ND1 2.64Å; F374-P449 WeakPolarHBondContact O-CA 3.35Å; F374-P449 WeakPolarHBondContact O-CB 3.43Å
375G91.9Very high90.6Very high0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-122.5170.4165.300000111.3P395 F396 H447G375-P395 CarbonylContact O-C 3.59Å; G375-P395 WeakPolarHBondContact O-CA 3.47Å; G375-F396 VanDerWaalsContact C-CD1 3.41Å; G375-F396 PolarHBondContact N-O 3.42Å; G375-F396 VanDerWaalsContact N-O 3.08Å; G375-F396 VanDerWaalsContact O-CD1 3.28Å; G375-F396 WeakPolarHBondContact O-CD1 3.41Å; G375-F396 PolarHBondContact O-N 3.33Å; G375-H447 CarbonylContact C-O 3.59Å; G375-H447 WeakPolarHBondContact CA-O 3.38Å
376D92.7Very high91.1Very high58 Ų5832.7 Ų32.731%0.3119%0.188SC..EExtended strand (participates in β ladder)trans-115.2126.5176-64.2-45.1000109.8V393 L446 H447D376-V393 HydrophobicContact CB-CG1 3.91Å; D376-L446 HydrophobicContact CB-CB 4.1Å; D376-L446 PolarHBondContact O-N 3.46Å; D376-H447 HydrophobicContact CB-CB 3.8Å; D376-H447 PolarHBondContact N-O 3.38Å; D376-H447 PolarHBondContact O-N 3.03Å; D376-H447 VanDerWaalsContact OD2-CB 3.26Å; D376-H447 WeakPolarHBondContact OD2-CB 3.37Å
377L95.2Very high91.8Very high13 Ų1337.5 Ų37.57%0.06821%0.207CC..EExtended strand (participates in β ladder)trans-109.3121.7177.6-171.872.6000109.1V393 D394 F396 Y418 F419 F443 L445L377-V393 WeakPolarHBondContact O-CA 3.33Å; L377-D394 PolarHBondContact N-O 2.96Å; L377-D394 PolarHBondContact O-N 3.47Å; L377-F396 HydrophobicContact CB-CD1 3.82Å; L377-F396 HydrophobicContact CB-CE1 4.3Å; L377-Y418 HydrophobicContact CD1-CE1 4.4Å; L377-Y418 HydrophobicContact CD2-CE1 4.32Å; L377-Y418 WeakPolarHBondContact CD2-OH 3.41Å; L377-F419 HydrophobicContact CD1-CE1 3.84Å; L377-F419 HydrophobicContact CD1-CZ 4.46Å; L377-F443 HydrophobicContact CD1-CB 4.16Å; L377-F443 HydrophobicContact CD1-CD1 4.5Å; L377-F443 HydrophobicContact CD2-CD1 3.66Å; L377-F443 HydrophobicContact CD2-CE1 4.01Å; L377-F443 HydrophobicContact CD2-CG 4.26Å; L377-F443 HydrophobicContact CG-CB 4.48Å; L377-F443 HydrophobicContact CG-CD1 3.93Å; L377-L445 HydrophobicContact CD1-CD2 3.87Å; L377-L445 HydrophobicContact CD1-CG 4.44Å
378E95.1Very high92.1Very high22 Ų2239.2 Ų39.210%0.10321%0.214CC..EExtended strand (participates in β ladder)trans-90.3132.3171.7-171.1179-144.200110.4V380 S391 T392 V393 F443 S444 L446 H482E378-V380 HydrophobicContact CG-CG2 3.81Å; E378-S391 VanDerWaalsContact CD-OG 3.31Å; E378-S391 VanDerWaalsContact CG-OG 3.24Å; E378-S391 WeakPolarHBondContact CG-OG 3.49Å; E378-S391 WeakPolarHBondContact OE1-CB 3.5Å; E378-S391 PolarHBondContact OE1-OG 2.79Å; E378-T392 CarbonylContact C-O 3.55Å; E378-T392 WeakPolarHBondContact CA-O 3.4Å; E378-V393 HydrophobicContact CB-CG2 4.48Å; E378-V393 HydrophobicContact CG-CG2 4.32Å; E378-F443 CarbonylContact O-C 3.58Å; E378-F443 VanDerWaalsContact O-CA 3.25Å; E378-F443 WeakPolarHBondContact O-CA 3.25Å; E378-S444 PolarHBondContact N-O 3.28Å; E378-S444 PolarHBondContact O-N 2.89Å; E378-L446 HydrophobicContact CB-CD1 3.71Å; E378-L446 HydrophobicContact CB-CD2 4.2Å; E378-L446 HydrophobicContact CB-CG 3.71Å; E378-L446 HydrophobicContact CG-CD1 4.27Å; E378-H482 IonicContact OE2-CE1 3.78Å; E378-H482 PolarHBondContact OE2-CE1 2.87Å; E378-H482 IonicContact OE2-CG 2.93Å; E378-H482 IonicContact OE2-ND1 3.49Å; E378-H482 PolarHBondContact OE2-ND1 3.37Å
379S94.9Very high92.4Very high8 Ų846.3 Ų46.36%0.05624%0.24CC..EExtended strand (participates in β ladder)trans-107.9115.1166.2-164.90000110.3S391 T392 K441 Q442 F443S379-S391 WeakPolarHBondContact O-CA 3.42Å; S379-T392 PolarHBondContact N-O 2.86Å; S379-T392 PolarHBondContact O-N 3.4Å; S379-K441 WeakPolarHBondContact OG-CE 3.2Å; S379-Q442 WeakPolarHBondContact CA-O 3.11Å; S379-F443 WeakPolarHBondContact OG-CE1 3.24Å
380V95.1Very high92.6Very high17 Ų1747.8 Ų47.810%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-104.3124.6177.1-177.40000109.6E378 R389 S390 K441 Q442E378-V380 HydrophobicContact CG-CG2 3.81Å; V380-R389 HydrophobicContact CG1-CB 4.21Å; V380-S390 CarbonylContact C-O 3.57Å; V380-S390 WeakPolarHBondContact CA-O 3.49Å; V380-K441 WeakPolarHBondContact O-CA 3.22Å; V380-Q442 PolarHBondContact N-O 2.82Å; V380-Q442 PolarHBondContact O-N 2.96Å
381I96.3Very high92.8Very high38 Ų3849 Ų4920%0.19526%0.264CS..EExtended strand (participates in β ladder)trans-105116.4171.2-58.7175.8000108.2Y383 R389 S390 I424 A439 V440 K441I381-Y383 HydrophobicContact CG2-CE1 4.41Å; I381-Y383 HydrophobicContact CG2-CE2 4.39Å; I381-R389 WeakPolarHBondContact O-CA 3.35Å; I381-S390 PolarHBondContact N-O 2.86Å; I381-S390 PolarHBondContact O-N 3.39Å; I381-I424 HydrophobicContact CD1-CD1 4.48Å; I381-I424 HydrophobicContact CG1-CD1 4.47Å; I381-I424 HydrophobicContact CG2-CD1 4.15Å; I381-A439 HydrophobicContact CG2-CB 3.82Å; I381-V440 WeakPolarHBondContact CA-O 3.43Å; I381-K441 HydrophobicContact CG1-CG 4.34Å
382S95.1Very high93.2Very high29 Ų2949.2 Ų49.220%0.20327%0.27CS..EExtended strand (participates in β ladder)trans-107.7128.7178-56.60000110.1R389 A439 V440S382-R389 PolarHBondContact OG-NH1 3.49Å; S382-A439 CarbonylContact O-C 3.33Å; S382-A439 VanDerWaalsContact O-CA 3.29Å; S382-A439 WeakPolarHBondContact O-CA 3.48Å; S382-V440 PolarHBondContact N-O 3.36Å; S382-V440 PolarHBondContact O-N 3.37Å
383Y95.8Very high93.4Very high18 Ų1852.6 Ų52.67%0.07129%0.29CS..EExtended strand (participates in β ladder)trans-95.3130.1-176-58.5-91.6000111.3I381 G385 C386 H388 S390 I428 W429 C430 R437 A439I381-Y383 HydrophobicContact CG2-CE1 4.41Å; I381-Y383 HydrophobicContact CG2-CE2 4.39Å; Y383-G385 PolarHBondContact O-N 3.1Å; Y383-C386 PolarHBondContact O-N 3.28Å; Y383-H388 HydrophobicContact CD2-CB 4.43Å; Y383-H388 AromaticContact CD2-CD2 3.69Å; Y383-H388 WeakPolarHBondContact CD2-O 3.3Å; Y383-H388 AromaticContact CE2-CD2 3.37Å; Y383-H388 WeakPolarHBondContact CE2-CD2 3.35Å; Y383-H388 AromaticContact CE2-NE2 3.91Å; Y383-S390 PolarHBondContact OH-OG 3.27Å; Y383-I428 HydrophobicContact CE1-CB 4.29Å; Y383-I428 HydrophobicContact CE1-CG2 3.92Å; Y383-W429 WeakPolarHBondContact CE1-O 3.47Å; Y383-W429 PolarHBondContact OH-O 3.4Å; Y383-C430 HydrophobicContact CD1-CB 3.7Å; Y383-C430 HydrophobicContact CD2-CB 4.47Å; Y383-C430 HydrophobicContact CE1-CB 3.82Å; Y383-C430 HydrophobicContact CG-CB 4.03Å; Y383-R437 HydrophobicContact CD1-CB 4.38Å; Y383-A439 HydrophobicContact CD1-CB 4.07Å; Y383-A439 HydrophobicContact CE1-CB 4.46Å
384E93Very high93.3Very high101 Ų10156.5 Ų56.547%0.47231%0.311SS..THydrogen-bonded Turntrans-66133.7-177.6-69.8-169.5173.900112.6C386 R437 P438E384-C386 VanDerWaalsContact C-N 3.26Å; E384-C386 PolarHBondContact O-N 3.18Å; E384-R437 WeakPolarHBondContact O-CD 3.25Å; E384-R437 PolarHBondContact O-NH1 2.87Å; E384-P438 HydrophobicContact CB-CB 4.4Å; E384-P438 HydrophobicContact CG-CB 4.25Å; E384-P438 PolarHBondContact N-O 3.45Å
385G91.5Very high93.4Very high76 Ų7658.1 Ų58.178%0.78433%0.327SS*.THydrogen-bonded Turntrans70.817.3-177.900000114.5Y383 R437Y383-G385 PolarHBondContact O-N 3.1Å; G385-R437 PolarHBondContact O-NH1 2.82Å
386C90.1Very high93.6Very high38 Ų3859.1 Ų59.126%0.25733%0.331SS..  trans-138.3146.9175.1-175.50000109.9Y383 E384 H388 C433Y383-C386 PolarHBondContact O-N 3.28Å; E384-C386 VanDerWaalsContact C-N 3.26Å; E384-C386 PolarHBondContact O-N 3.18Å; C386-H388 VanDerWaalsContact C-N 3.32Å; C386-H388 VanDerWaalsContact SG-CB 3.52Å; C386-H388 PolarHBondContact SG-N 3.16Å; C386-H388 VanDerWaalsContact SG-N 3.37Å; C386-C433 PolarHBondContact SG-SG 2.95Å
387E90.9Very high93.7Very high190 Ų19057.3 Ų57.389%0.88832%0.321SS*.  trans-83.9-8.4175.4-65.5-174.6169.700113.3R389E387-R389 PolarHBondContact O-N 3.37Å
388H90.6Very high93.7Very high42 Ų4258 Ų5819%0.19433%0.325CS..  trans-64.1136.8177-178.953.7000110.7Y383 C386 S390 S431 Q432Y383-H388 HydrophobicContact CD2-CB 4.43Å; Y383-H388 AromaticContact CD2-CD2 3.69Å; Y383-H388 WeakPolarHBondContact CD2-O 3.3Å; Y383-H388 AromaticContact CE2-CD2 3.37Å; Y383-H388 WeakPolarHBondContact CE2-CD2 3.35Å; Y383-H388 AromaticContact CE2-NE2 3.91Å; C386-H388 VanDerWaalsContact C-N 3.32Å; C386-H388 VanDerWaalsContact SG-CB 3.52Å; C386-H388 PolarHBondContact SG-N 3.16Å; C386-H388 VanDerWaalsContact SG-N 3.37Å; H388-S390 PolarHBondContact NE2-OG 2.94Å; H388-S431 PolarHBondContact NE2-OG 3.43Å; H388-Q432 HydrophobicContact CB-CB 4.1Å; H388-Q432 HydrophobicContact CB-CG 3.86Å; H388-Q432 VanDerWaalsContact CG-CG 3.44Å; H388-Q432 WeakPolarHBondContact ND1-CG 3.49Å
389R91.7Very high93.8Very high163 Ų16357 Ų5762%0.61532%0.32SS*.EExtended strand (participates in β ladder)trans-131.6138.1171.6-60.4178.6-177.2-121.93.1108.5V380 I381 S382 E387V380-R389 HydrophobicContact CG1-CB 4.21Å; I381-R389 WeakPolarHBondContact O-CA 3.35Å; S382-R389 PolarHBondContact OG-NH1 3.49Å; E387-R389 PolarHBondContact O-N 3.37Å
390S93.5Very high93.9Very high33 Ų3358.1 Ų58.123%0.23133%0.328CS..EExtended strand (participates in β ladder)trans-102.4128.2171.2-60.90000107.8V380 I381 Y383 H388V380-S390 CarbonylContact C-O 3.57Å; V380-S390 WeakPolarHBondContact CA-O 3.49Å; I381-S390 PolarHBondContact N-O 2.86Å; I381-S390 PolarHBondContact O-N 3.39Å; Y383-S390 PolarHBondContact OH-OG 3.27Å; H388-S390 PolarHBondContact NE2-OG 2.94Å
391S93.3Very high93.9Very high62 Ų6257.3 Ų57.343%0.43432%0.323SS..EExtended strand (participates in β ladder)trans-115.5139.9175.3172.10000109.5E378 S379E378-S391 VanDerWaalsContact CD-OG 3.31Å; E378-S391 VanDerWaalsContact CG-OG 3.24Å; E378-S391 WeakPolarHBondContact CG-OG 3.49Å; E378-S391 WeakPolarHBondContact OE1-CB 3.5Å; E378-S391 PolarHBondContact OE1-OG 2.79Å; S379-S391 WeakPolarHBondContact O-CA 3.42Å
392T94.9Very high93.7Very high77 Ų7760.2 Ų60.247%0.47234%0.339SS..EExtended strand (participates in β ladder)trans-134.4132.8171.5-56.70000107.6E378 S379E378-T392 CarbonylContact C-O 3.55Å; E378-T392 WeakPolarHBondContact CA-O 3.4Å; S379-T392 PolarHBondContact N-O 2.86Å; S379-T392 PolarHBondContact O-N 3.4Å
393V93.9Very high93.4Very high71 Ų7159.5 Ų59.543%0.4333%0.334SS..EExtended strand (participates in β ladder)trans-109121.3179-1790000107.9D376 L377 E378 L446D376-V393 HydrophobicContact CB-CG1 3.91Å; L377-V393 WeakPolarHBondContact O-CA 3.33Å; E378-V393 HydrophobicContact CB-CG2 4.48Å; E378-V393 HydrophobicContact CG-CG2 4.32Å; V393-L446 HydrophobicContact CB-CD1 4.36Å; V393-L446 HydrophobicContact CG1-CD1 3.91Å; V393-L446 HydrophobicContact CG2-CD1 3.49Å; V393-L446 VanDerWaalsContact CG2-CD1 3.49Å
394D93.2Very high92.8Very high83 Ų8362.7 Ų62.744%0.44435%0.351SS..EExtended strand (participates in β ladder)trans-119.8129.1-178.9-65.5-64.4000109.5L377L377-D394 PolarHBondContact N-O 2.96Å; L377-D394 PolarHBondContact O-N 3.47Å
395P93.1Very high91.9Very high82 Ų8263 Ų6353%0.53235%0.352SS..EExtended strand (participates in β ladder)trans-70.5148.3173.529.5-34000110.7F374 G375F374-P395 HydrophobicContact CD1-CB 3.84Å; F374-P395 HydrophobicContact CE1-CB 3.9Å; G375-P395 CarbonylContact O-C 3.59Å; G375-P395 WeakPolarHBondContact O-CA 3.47Å
396F95Very high91.1Very high21 Ų2169.7 Ų69.79%0.09235%0.354CS..EExtended strand (participates in β ladder)trans-136.7150.5177.674.6-87.8000112.8F374 G375 L377 L399 L445 P449 L452F374-F396 WeakPolarHBondContact CA-O 3.35Å; G375-F396 VanDerWaalsContact C-CD1 3.41Å; G375-F396 PolarHBondContact N-O 3.42Å; G375-F396 VanDerWaalsContact N-O 3.08Å; G375-F396 VanDerWaalsContact O-CD1 3.28Å; G375-F396 WeakPolarHBondContact O-CD1 3.41Å; G375-F396 PolarHBondContact O-N 3.33Å; L377-F396 HydrophobicContact CB-CD1 3.82Å; L377-F396 HydrophobicContact CB-CE1 4.3Å; F396-L399 HydrophobicContact CD2-CD2 3.91Å; F396-L399 HydrophobicContact CD2-CG 4.05Å; F396-L399 HydrophobicContact CE2-CD1 4.25Å; F396-L399 HydrophobicContact CE2-CD2 3.94Å; F396-L399 HydrophobicContact CE2-CG 3.79Å; F396-L399 HydrophobicContact CG-CD2 4.28Å; F396-L399 HydrophobicContact CZ-CD2 4.32Å; F396-L399 HydrophobicContact CZ-CG 4.41Å; F396-L445 HydrophobicContact CE1-CD2 3.55Å; F396-L445 HydrophobicContact CZ-CD2 3.58Å; F396-P449 HydrophobicContact CE2-CG 4.26Å; F396-P449 HydrophobicContact CZ-CG 4.25Å; F396-L452 HydrophobicContact CE2-CD2 4.28Å; F396-L452 HydrophobicContact CZ-CD2 4.41Å
397L94.5Very high90.4Very high20 Ų2070.6 Ų70.611%0.10537%0.37CS..SBendtrans-103.9-24.7171.4-80.3173.3000112.5I265 L268 F373 F374I265-L397 HydrophobicContact CD1-CB 4.1Å; I265-L397 HydrophobicContact CG2-CD1 4.32Å; L268-L397 HydrophobicContact CD1-CD2 4.47Å; F373-L397 HydrophobicContact CB-CD2 3.54Å; F374-L397 HydrophobicContact CD2-CD2 3.35Å; F374-L397 HydrophobicContact CD2-CG 4.07Å; F374-L397 HydrophobicContact CE2-CD1 4.11Å; F374-L397 HydrophobicContact CE2-CD2 3.28Å; F374-L397 HydrophobicContact CE2-CG 3.66Å; F374-L397 HydrophobicContact CG-CD2 4.36Å; F374-L397 HydrophobicContact CZ-CD1 4.44Å; F374-L397 HydrophobicContact CZ-CD2 4.2Å; F374-L397 HydrophobicContact CZ-CG 4.11Å
398D96.7Very high89.9Confident27 Ų2766.1 Ų66.114%0.14436%0.36CS..  trans-147.2161.2178.572.9-74.7000111.6H261 I265 S400 C453H261-D398 IonicContact CD2-OD2 2.84Å; H261-D398 IonicContact CE1-OD2 3.67Å; H261-D398 IonicContact NE2-OD1 3.59Å; H261-D398 IonicContact NE2-OD2 2.8Å; H261-D398 PolarHBondContact NE2-OD2 3.44Å; I265-D398 HydrophobicContact CD1-CB 3.98Å; I265-D398 WeakPolarHBondContact CD1-OD1 3.28Å; D398-S400 PolarHBondContact OD2-OG 2.82Å; D398-C453 CarbonylContact C-O 3.59Å; D398-C453 WeakPolarHBondContact CA-O 3.41Å; D398-C453 HydrophobicContact CB-CB 3.98Å; D398-C453 WeakPolarHBondContact CB-O 3.44Å
399L97.1Very high89.8Confident0 Ų065 Ų650%036%0.356CS..EExtended strand (participates in β ladder)trans-110.7106.3169.8-65.6174.4000108.6F396 L401 Y418 F419 L445 L452 C453 F454 Y455F396-L399 HydrophobicContact CD2-CD2 3.91Å; F396-L399 HydrophobicContact CD2-CG 4.05Å; F396-L399 HydrophobicContact CE2-CD1 4.25Å; F396-L399 HydrophobicContact CE2-CD2 3.94Å; F396-L399 HydrophobicContact CE2-CG 3.79Å; F396-L399 HydrophobicContact CG-CD2 4.28Å; F396-L399 HydrophobicContact CZ-CD2 4.32Å; F396-L399 HydrophobicContact CZ-CG 4.41Å; L399-L401 HydrophobicContact CB-CD2 4.2Å; L399-L401 PolarHBondContact O-N 3.35Å; L399-Y418 HydrophobicContact CD2-CE1 4.09Å; L399-F419 HydrophobicContact CD1-CZ 4.26Å; L399-L445 HydrophobicContact CD1-CD2 4.47Å; L399-L452 HydrophobicContact CD1-CD2 4.45Å; L399-C453 PolarHBondContact N-O 3.34Å; L399-F454 HydrophobicContact CB-CD1 3.83Å; L399-F454 HydrophobicContact CB-CE1 4.11Å; L399-F454 HydrophobicContact CD1-CD1 4.22Å; L399-F454 HydrophobicContact CD1-CE1 3.62Å; L399-F454 HydrophobicContact CG-CE1 4.43Å; L399-F454 WeakPolarHBondContact O-CA 3.46Å; L399-Y455 PolarHBondContact O-N 3.45Å
400S95.8Very high89.9Confident32 Ų3258.9 Ų58.922%0.22434%0.338CS..EExtended strand (participates in β ladder)trans-82.299.6178.2-67.30000110.9D398 Y455 K457D398-S400 PolarHBondContact OD2-OG 2.82Å; S400-Y455 CarbonylContact C-O 3.44Å; S400-Y455 WeakPolarHBondContact CA-O 2.86Å; S400-Y455 WeakPolarHBondContact OG-CD1 3.31Å; S400-K457 VanDerWaalsContact CB-CE 3.45Å; S400-K457 VanDerWaalsContact O-CE 3.28Å; S400-K457 WeakPolarHBondContact O-CE 3.49Å
401L95.7Very high90Very high0 Ų057.3 Ų57.30%033%0.327CS..EExtended strand (participates in β ladder)trans-94.9135.5-172.4-52.8-177.9000112.4L399 L411 C414 L415 Y418 F454 Y455 L456 K457L399-L401 HydrophobicContact CB-CD2 4.2Å; L399-L401 PolarHBondContact O-N 3.35Å; L401-L411 HydrophobicContact CD1-CD1 3.54Å; L401-C414 HydrophobicContact CB-CB 4.19Å; L401-C414 HydrophobicContact CD1-CB 4.01Å; L401-L415 HydrophobicContact CD1-CD2 3.89Å; L401-L415 HydrophobicContact CD1-CG 4.14Å; L401-L415 HydrophobicContact CD2-CD2 3.98Å; L401-Y418 HydrophobicContact CD2-CD2 3.74Å; L401-Y418 HydrophobicContact CD2-CE2 4.42Å; L401-Y418 HydrophobicContact CD2-CG 3.83Å; L401-F454 HydrophobicContact CD1-CB 4.32Å; L401-F454 HydrophobicContact CD1-CD1 3.84Å; L401-F454 HydrophobicContact CD1-CG 4.36Å; L401-F454 HydrophobicContact CG-CD1 4.33Å; L401-Y455 PolarHBondContact N-O 2.87Å; L401-L456 HydrophobicContact CB-CD2 4.41Å; L401-L456 HydrophobicContact CD1-CD2 4.37Å; L401-K457 WeakPolarHBondContact O-CB 3.34Å; L401-K457 PolarHBondContact O-N 2.87Å
402D92.2Very high90Very high100 Ų10058.5 Ų58.554%0.53533%0.326SS..EExtended strand (participates in β ladder)trans-75.5138.5174.8-60.2-41.3000111.1C414 K457D402-C414 PolarHBondContact O-SG 3.3Å; D402-C414 VanDerWaalsContact O-SG 3.39Å; D402-K457 WeakPolarHBondContact OD1-CD 3.49Å; D402-K457 WeakPolarHBondContact OD1-CE 3.33Å; D402-K457 IonicContact OD1-NZ 2.89Å; D402-K457 PolarHBondContact OD1-NZ 3.2Å; D402-K457 IonicContact OD2-NZ 3.87Å
403V89Confident90Very high14 Ų1457.2 Ų57.29%0.08532%0.323CS..  trans-112.1133.3-179.3-178.50000109.6L456 I465 T467 I469V403-L456 HydrophobicContact CG2-CB 3.99Å; V403-L456 HydrophobicContact CG2-CD2 4.37Å; V403-I465 HydrophobicContact CG1-CG2 3.85Å; V403-I465 WeakPolarHBondContact O-CD1 3.25Å; V403-T467 HydrophobicContact CG1-CG2 4.41Å; V403-I469 HydrophobicContact CB-CD1 4.25Å; V403-I469 HydrophobicContact CG1-CD1 3.55Å; V403-I469 HydrophobicContact CG1-CG1 4.22Å; V403-I469 HydrophobicContact CG2-CD1 3.61Å
404I83.4Confident90Very high84 Ų8454 Ų5443%0.43130%0.304SS..  trans-67.2138.8175.567.1174.2000111.5R406 T409 I465 T467I404-R406 WeakPolarHBondContact CD1-O 3.47Å; I404-R406 PolarHBondContact O-N 3.35Å; I404-T409 HydrophobicContact CD1-CG2 4.48Å; I404-T409 HydrophobicContact CG1-CG2 4.08Å; I404-I465 WeakPolarHBondContact O-CG2 3.34Å; I404-T467 HydrophobicContact CG1-CG2 4.23Å; I404-T467 WeakPolarHBondContact O-CB 3.38Å; I404-T467 PolarHBondContact O-OG1 3.41Å
405Q74.6Confident90.2Very high108 Ų10850.1 Ų50.151%0.50528%0.283SS..SBendtrans-69.5-28.4-173.7-66.3177.36.300114.7H460 I465 T467Q405-H460 PolarHBondContact NE2-CD2 2.87Å; Q405-H460 PolarHBondContact NE2-NE2 2.82Å; Q405-I465 HydrophobicContact CG-CD1 4.03Å; Q405-I465 HydrophobicContact CG-CG1 4.4Å; Q405-T467 PolarHBondContact O-OG1 2.75Å
406R72.9Confident90.2Very high216 Ų21647.9 Ų47.982%0.81528%0.275SS*.SBendtrans-136.5145.7-174.7-71-169.5-76.8-132.4-2.1111.3I404I404-R406 WeakPolarHBondContact CD1-O 3.47Å; I404-R406 PolarHBondContact O-N 3.35Å
407G76.9Confident90.1Very high58 Ų5849.3 Ų49.360%0.59829%0.287SS*.SBendtrans97.4-161.5-179.100000112.1T467G407-T467 WeakPolarHBondContact O-CG2 3.41Å
408S78.9Confident90.2Very high96 Ų9650.8 Ų50.867%0.67129%0.292SS*.  trans-111.3147.9166.351.60000109
409T89.8Confident90.1Very high18 Ų1850.1 Ų50.111%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-133.2178.7172.8-169.60000109.8I404 A413 T467 S468 I469 T470I404-T409 HydrophobicContact CD1-CG2 4.48Å; I404-T409 HydrophobicContact CG1-CG2 4.08Å; T409-A413 WeakPolarHBondContact OG1-CB 3.41Å; T409-T467 HydrophobicContact CG2-CG2 4.13Å; T409-S468 PolarHBondContact N-O 3.44Å; T409-I469 HydrophobicContact CG2-CB 4.38Å; T409-I469 HydrophobicContact CG2-CD1 4.31Å; T409-I469 HydrophobicContact CG2-CG1 3.76Å; T409-I469 HydrophobicContact CG2-CG2 4.23Å; T409-I469 WeakPolarHBondContact O-CA 3.28Å; T409-T470 PolarHBondContact O-N 3.44Å; T409-T470 PolarHBondContact O-OG1 3.44Å
410S93.7Very high90Very high35 Ų3556.8 Ų56.825%0.24531%0.313CS..EExtended strand (participates in β ladder)trans-125.4157.6172.966.40000110.6Q412 A413 C414 T470S410-Q412 PolarHBondContact O-N 3.47Å; S410-A413 PolarHBondContact O-N 2.92Å; S410-A413 PolarHBondContact OG-N 3Å; S410-A413 VanDerWaalsContact OG-N 3.09Å; S410-C414 PolarHBondContact O-N 2.8Å; S410-T470 CarbonylContact C-O 3.54Å; S410-T470 WeakPolarHBondContact CA-O 3.42Å; S410-T470 VanDerWaalsContact CB-OG1 3.24Å; S410-T470 WeakPolarHBondContact CB-OG1 3.31Å
411L95.7Very high89.9Confident0 Ų058.4 Ų58.40%032%0.323CS..Hα-helixtrans-53-40.3169.7179.562.7000110.6L401 A413 C414 L415 F454 T470 F471 L475 L547 Y549L401-L411 HydrophobicContact CD1-CD1 3.54Å; L411-A413 VanDerWaalsContact C-N 3.33Å; L411-A413 PolarHBondContact O-N 3.01Å; L411-C414 WeakPolarHBondContact O-CB 3.32Å; L411-C414 PolarHBondContact O-N 3.43Å; L411-L415 HydrophobicContact CD1-CD1 4.36Å; L411-L415 HydrophobicContact CD1-CG 4.33Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.41Å; L411-L415 WeakPolarHBondContact O-CG 3.37Å; L411-L415 PolarHBondContact O-N 2.98Å; L411-F454 HydrophobicContact CD1-CB 4.48Å; L411-F454 HydrophobicContact CD1-CD2 4.48Å; L411-F454 HydrophobicContact CD1-CG 4.26Å; L411-F454 HydrophobicContact CD2-CD2 4.41Å; L411-F454 HydrophobicContact CD2-CE2 4.48Å; L411-T470 PolarHBondContact N-O 3.37Å; L411-F471 HydrophobicContact CB-CB 3.99Å; L411-F471 HydrophobicContact CD2-CB 4.19Å; L411-L475 HydrophobicContact CD2-CD1 4.33Å; L411-L475 HydrophobicContact CD2-CD2 4.07Å; L411-L547 HydrophobicContact CD1-CD1 4.17Å; L411-L547 HydrophobicContact CD2-CD1 4.08Å; L411-Y549 HydrophobicContact CD2-CE2 3.93Å
412Q93.7Very high89.9Confident87 Ų8762.6 Ų62.641%0.40734%0.342SS..Hα-helixtrans-60.3-40.7177.2-164.3699.700112.5S410 G416 Y480S410-Q412 PolarHBondContact O-N 3.47Å; Q412-G416 PolarHBondContact O-N 2.95Å; Q412-Y480 VanDerWaalsContact CD-OH 3.23Å; Q412-Y480 PolarHBondContact NE2-OH 3.08Å; Q412-Y480 PolarHBondContact O-OH 2.89Å
413A93.6Very high90Very high49 Ų4963 Ų6341%0.40534%0.344SS..Hα-helixtrans-70.2-39.4176.900000111.7T409 S410 L411 G416 S417T409-A413 WeakPolarHBondContact OG1-CB 3.41Å; S410-A413 PolarHBondContact O-N 2.92Å; S410-A413 PolarHBondContact OG-N 3Å; S410-A413 VanDerWaalsContact OG-N 3.09Å; L411-A413 VanDerWaalsContact C-N 3.33Å; L411-A413 PolarHBondContact O-N 3.01Å; A413-G416 PolarHBondContact O-N 3Å; A413-S417 PolarHBondContact O-N 2.9Å
414C95.4Very high90.3Very high5 Ų564.4 Ų64.43%0.03435%0.351CS..Hα-helixtrans-61.5-46.7174-71.90000111.8L401 D402 S410 L411 S417 Y418L401-C414 HydrophobicContact CB-CB 4.19Å; L401-C414 HydrophobicContact CD1-CB 4.01Å; D402-C414 PolarHBondContact O-SG 3.3Å; D402-C414 VanDerWaalsContact O-SG 3.39Å; S410-C414 PolarHBondContact O-N 2.8Å; L411-C414 WeakPolarHBondContact O-CB 3.32Å; L411-C414 PolarHBondContact O-N 3.43Å; C414-S417 PolarHBondContact O-N 3.26Å; C414-Y418 WeakPolarHBondContact O-CB 3.44Å; C414-Y418 PolarHBondContact O-N 2.82Å
415L95.7Very high90.8Very high0 Ų067.8 Ų67.80%037%0.369CS..Hα-helixtrans-63.4-43.8174.3-69.2169.2000111.6L401 L411 S417 Y418 F419 F454 L475 M477 Y480L401-L415 HydrophobicContact CD1-CD2 3.89Å; L401-L415 HydrophobicContact CD1-CG 4.14Å; L401-L415 HydrophobicContact CD2-CD2 3.98Å; L411-L415 HydrophobicContact CD1-CD1 4.36Å; L411-L415 HydrophobicContact CD1-CG 4.33Å; L411-L415 HydrophobicContact CG-CD1 3.99Å; L411-L415 HydrophobicContact CG-CG 4.41Å; L411-L415 WeakPolarHBondContact O-CG 3.37Å; L411-L415 PolarHBondContact O-N 2.98Å; L415-S417 PolarHBondContact O-N 2.81Å; L415-Y418 PolarHBondContact O-N 2.93Å; L415-Y418 VanDerWaalsContact O-N 3.1Å; L415-F419 HydrophobicContact CB-CD2 4.49Å; L415-F419 HydrophobicContact CD2-CE2 3.96Å; L415-F419 VanDerWaalsContact O-CD2 3.28Å; L415-F419 WeakPolarHBondContact O-CD2 3.1Å; L415-F419 PolarHBondContact O-N 2.87Å; L415-F454 HydrophobicContact CD1-CE1 4.49Å; L415-F454 HydrophobicContact CD1-CZ 4.48Å; L415-F454 HydrophobicContact CD2-CD1 4.1Å; L415-F454 HydrophobicContact CD2-CE1 3.52Å; L415-F454 HydrophobicContact CD2-CZ 4.24Å; L415-L475 HydrophobicContact CD1-CD1 4.17Å; L415-L475 HydrophobicContact CD1-CD2 4.46Å; L415-M477 HydrophobicContact CD1-SD 4.09Å; L415-M477 HydrophobicContact CD2-CE 4.42Å; L415-Y480 HydrophobicContact CB-CE1 3.94Å; L415-Y480 HydrophobicContact CB-CE2 3.89Å; L415-Y480 VanDerWaalsContact CB-CZ 3.46Å; L415-Y480 VanDerWaalsContact CB-OH 3.32Å; L415-Y480 WeakPolarHBondContact CB-OH 3.41Å; L415-Y480 HydrophobicContact CD1-CE2 3.85Å; L415-Y480 HydrophobicContact CG-CE2 4.41Å
416G93.6Very high91.7Very high35 Ų3565.3 Ų65.336%0.36137%0.373SS..Hα-helixtrans-56.2-39.2175.100000112.6Q412 A413 R420Q412-G416 PolarHBondContact O-N 2.95Å; A413-G416 PolarHBondContact O-N 3Å; G416-R420 WeakPolarHBondContact O-CB 3.1Å; G416-R420 PolarHBondContact O-N 2.85Å
417S93.5Very high92.7Very high51 Ų5160.7 Ų60.736%0.35736%0.364SS..Hα-helixtrans-69.3-44.9173.5-164.50000112.1A413 C414 L415 F419 R420A413-S417 PolarHBondContact O-N 2.9Å; C414-S417 PolarHBondContact O-N 3.26Å; L415-S417 PolarHBondContact O-N 2.81Å; S417-F419 PolarHBondContact O-N 2.84Å; S417-R420 WeakPolarHBondContact O-CB 3.4Å; S417-R420 PolarHBondContact O-N 2.86Å
418Y95.5Very high93.5Very high52 Ų5260.5 Ų60.520%0.20435%0.348CS..Hα-helixtrans-61.3-41.2-177.1-173.6-86.3000113.1L377 L399 L401 C414 L415 F443L377-Y418 HydrophobicContact CD1-CE1 4.4Å; L377-Y418 HydrophobicContact CD2-CE1 4.32Å; L377-Y418 WeakPolarHBondContact CD2-OH 3.41Å; L399-Y418 HydrophobicContact CD2-CE1 4.09Å; L401-Y418 HydrophobicContact CD2-CD2 3.74Å; L401-Y418 HydrophobicContact CD2-CE2 4.42Å; L401-Y418 HydrophobicContact CD2-CG 3.83Å; C414-Y418 WeakPolarHBondContact O-CB 3.44Å; C414-Y418 PolarHBondContact O-N 2.82Å; L415-Y418 PolarHBondContact O-N 2.93Å; L415-Y418 VanDerWaalsContact O-N 3.1Å; Y418-F443 HydrophobicContact CE1-CB 4.33Å; Y418-F443 HydrophobicContact CE1-CD2 4.38Å; Y418-F443 HydrophobicContact CE1-CG 4.42Å
419F95.4Very high94.3Very high13 Ų1363.1 Ų63.16%0.05734%0.344CS..THydrogen-bonded Turntrans-91.61.1-179.4-67.6-73.4000113.8L377 L399 L415 S417 F443 L445 M477 Y480L377-F419 HydrophobicContact CD1-CE1 3.84Å; L377-F419 HydrophobicContact CD1-CZ 4.46Å; L399-F419 HydrophobicContact CD1-CZ 4.26Å; L415-F419 HydrophobicContact CB-CD2 4.49Å; L415-F419 HydrophobicContact CD2-CE2 3.96Å; L415-F419 VanDerWaalsContact O-CD2 3.28Å; L415-F419 WeakPolarHBondContact O-CD2 3.1Å; L415-F419 PolarHBondContact O-N 2.87Å; S417-F419 PolarHBondContact O-N 2.84Å; F419-F443 HydrophobicContact CD1-CB 3.99Å; F419-F443 HydrophobicContact CE1-CB 4.29Å; F419-L445 HydrophobicContact CE1-CD1 4.25Å; F419-L445 HydrophobicContact CE1-CD2 4.37Å; F419-L445 HydrophobicContact CE1-CG 3.78Å; F419-L445 HydrophobicContact CE2-CD1 4.42Å; F419-L445 HydrophobicContact CZ-CD1 3.71Å; F419-L445 HydrophobicContact CZ-CD2 4.16Å; F419-L445 HydrophobicContact CZ-CG 3.68Å; F419-M477 HydrophobicContact CE2-CE 4.48Å; F419-Y480 HydrophobicContact CB-CD1 3.83Å; F419-Y480 AromaticContact CD2-CD1 3.27Å; F419-Y480 HydrophobicContact CD2-CD1 3.27Å; F419-Y480 HydrophobicContact CD2-CD2 4.39Å; F419-Y480 AromaticContact CD2-CE1 3.94Å; F419-Y480 HydrophobicContact CD2-CE1 3.94Å; F419-Y480 AromaticContact CD2-CG 3.53Å; F419-Y480 HydrophobicContact CD2-CG 3.53Å; F419-Y480 HydrophobicContact CE2-CD1 4.04Å; F419-Y480 HydrophobicContact CE2-CD2 4.4Å; F419-Y480 AromaticContact CE2-CG 3.81Å; F419-Y480 HydrophobicContact CE2-CG 3.81Å; F419-Y480 AromaticContact CG-CD1 3.71Å; F419-Y480 HydrophobicContact CG-CD1 3.71Å; F419-Y480 HydrophobicContact CG-CG 4.12Å
420R94.9Very high94.5Very high139 Ų13962.2 Ų62.253%0.52534%0.338SS..SBendtrans-67.6141.6178.7-167.517357.8160.20.1110.1G416 S417 E422G416-R420 WeakPolarHBondContact O-CB 3.1Å; G416-R420 PolarHBondContact O-N 2.85Å; S417-R420 WeakPolarHBondContact O-CB 3.4Å; S417-R420 PolarHBondContact O-N 2.86Å; R420-E422 IonicContact CZ-OE1 2.7Å; R420-E422 IonicContact NE-OE1 3.46Å; R420-E422 IonicContact NH2-OE1 3.83Å; R420-E422 PolarHBondContact NH2-OE1 2.62Å; R420-E422 PolarHBondContact O-N 2.96Å
421P94.5Very high94.5Very high67 Ų6764 Ų6444%0.43535%0.351SS..  trans-63.6126.4166.2-1526.3000110.4V440 K441 Q442P421-V440 HydrophobicContact CB-CG1 3.48Å; P421-V440 VanDerWaalsContact CB-CG1 3.48Å; P421-K441 WeakPolarHBondContact CA-O 3.34Å; P421-Q442 HydrophobicContact CB-CB 4.32Å; P421-Q442 HydrophobicContact CB-CG 4.47Å; P421-Q442 HydrophobicContact CG-CG 4.17Å
422E94.2Very high94.3Very high88 Ų8870.7 Ų70.741%0.41138%0.382SS..EExtended strand (participates in β ladder)trans-123.7136-179.9-59.5-163.3147.300111R420 I424 V440 K441R420-E422 IonicContact CZ-OE1 2.7Å; R420-E422 IonicContact NE-OE1 3.46Å; R420-E422 IonicContact NH2-OE1 3.83Å; R420-E422 PolarHBondContact NH2-OE1 2.62Å; R420-E422 PolarHBondContact O-N 2.96Å; E422-I424 PolarHBondContact O-N 3.33Å; E422-V440 CarbonylContact O-C 3.54Å; E422-V440 WeakPolarHBondContact O-CA 3.42Å; E422-K441 PolarHBondContact N-O 2.87Å; E422-K441 PolarHBondContact O-N 3.32Å
423L95.9Very high94.2Very high108 Ų10868.5 Ų68.557%0.56538%0.376SS*.EExtended strand (participates in β ladder)trans-69.2128.7175.6-172.772.2000108.8P438 V440L423-P438 HydrophobicContact CD1-CB 4.32Å; L423-V440 HydrophobicContact CD1-CG2 4.08Å
424I94.7Very high94.2Very high44 Ų4471.8 Ų71.823%0.22639%0.386CS..PPolyproline II helixtrans-77130.5173.4-54.9172000108.1I381 E422 G426 I428 A439 K441I381-I424 HydrophobicContact CD1-CD1 4.48Å; I381-I424 HydrophobicContact CG1-CD1 4.47Å; I381-I424 HydrophobicContact CG2-CD1 4.15Å; E422-I424 PolarHBondContact O-N 3.33Å; I424-G426 PolarHBondContact O-N 3.22Å; I424-I428 HydrophobicContact CB-CG1 4.23Å; I424-I428 HydrophobicContact CD1-CG1 4.03Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 HydrophobicContact CG2-CG1 3.91Å; I424-A439 WeakPolarHBondContact CB-O 3.29Å; I424-A439 HydrophobicContact CD1-CB 4.15Å; I424-A439 WeakPolarHBondContact CG1-O 3.49Å; I424-A439 PolarHBondContact N-O 3.27Å; I424-K441 HydrophobicContact CD1-CB 3.96Å; I424-K441 HydrophobicContact CG1-CB 3.87Å
425D93Very high94.2Very high155 Ų15575.8 Ų75.883%0.82941%0.407SS*.SBendtrans-62.1126.7175.8-72-33.3000111.3
426G93.3Very high94.1Very high56 Ų5676.9 Ų76.958%0.57742%0.418SS*.SBendtrans88.2-164.9179.700000114.2I424I424-G426 PolarHBondContact O-N 3.22Å
427L94.7Very high94.2Very high119 Ų11978.5 Ų78.562%0.62341%0.413SS*.  trans-105.1125.9-178-61177.5000109.9P438L427-P438 HydrophobicContact CD2-CG 3.92Å
428I94Very high94.3Very high53 Ų5378.4 Ų78.427%0.27241%0.411SS..EExtended strand (participates in β ladder)trans-100.4134.6176.7-56.4-58.5000109.7Y383 I424 C430 G436 R437 A439Y383-I428 HydrophobicContact CE1-CB 4.29Å; Y383-I428 HydrophobicContact CE1-CG2 3.92Å; I424-I428 HydrophobicContact CB-CG1 4.23Å; I424-I428 HydrophobicContact CD1-CG1 4.03Å; I424-I428 HydrophobicContact CG2-CD1 3.8Å; I424-I428 HydrophobicContact CG2-CG1 3.91Å; I428-C430 PolarHBondContact O-N 2.87Å; I428-G436 WeakPolarHBondContact O-CA 3.43Å; I428-R437 PolarHBondContact N-O 3.05Å; I428-R437 PolarHBondContact O-N 2.85Å; I428-A439 HydrophobicContact CB-CB 3.97Å; I428-A439 HydrophobicContact CG1-CB 4.05Å
429W95.1Very high94.3Very high151 Ų15175.9 Ų75.957%0.57240%0.401SS*.EExtended strand (participates in β ladder)trans-65123.5179.8-173.6-102.6000111.5Y383 N434Y383-W429 WeakPolarHBondContact CE1-O 3.47Å; Y383-W429 PolarHBondContact OH-O 3.4Å; W429-N434 WeakPolarHBondContact CH2-O 3.44Å; W429-N434 HydrophobicContact CZ2-CB 4.27Å; W429-N434 WeakPolarHBondContact CZ2-OD1 3.29Å
430C94.5Very high94.4Very high0 Ų077 Ų770%041%0.409CS..EExtended strand (participates in β ladder)trans-95.9120172.6175.80000109.8Y383 I428 Q432 C433 N434 I435Y383-C430 HydrophobicContact CD1-CB 3.7Å; Y383-C430 HydrophobicContact CD2-CB 4.47Å; Y383-C430 HydrophobicContact CE1-CB 3.82Å; Y383-C430 HydrophobicContact CG-CB 4.03Å; I428-C430 PolarHBondContact O-N 2.87Å; C430-Q432 VanDerWaalsContact C-N 3.26Å; C430-Q432 PolarHBondContact O-N 2.99Å; C430-C433 HydrophobicContact CB-CB 4.14Å; C430-C433 PolarHBondContact O-N 3.26Å; C430-C433 PolarHBondContact SG-N 3.1Å; C430-C433 VanDerWaalsContact SG-N 3.41Å; C430-N434 WeakPolarHBondContact O-CA 3.11Å; C430-N434 PolarHBondContact O-N 3.28Å; C430-I435 PolarHBondContact N-O 3.35Å; C430-I435 VanDerWaalsContact N-O 3.08Å
431S93Very high94.4Very high72 Ų7274.3 Ų74.350%0.50340%0.401SS..THydrogen-bonded Turntrans-63.7-29.3-179.966.70000113.5H388H388-S431 PolarHBondContact NE2-OG 3.43Å
432Q93Very high94.4Very high140 Ų14074 Ų7465%0.65439%0.394SS*.THydrogen-bonded Turntrans-83.7-36.8-179.3-63.6-60.7-4000112.9H388 C430H388-Q432 HydrophobicContact CB-CB 4.1Å; H388-Q432 HydrophobicContact CB-CG 3.86Å; H388-Q432 VanDerWaalsContact CG-CG 3.44Å; H388-Q432 WeakPolarHBondContact ND1-CG 3.49Å; C430-Q432 VanDerWaalsContact C-N 3.26Å; C430-Q432 PolarHBondContact O-N 2.99Å
433C91.8Very high94.5Very high42 Ų4272.1 Ų72.128%0.28438%0.384SS..THydrogen-bonded Turntrans-88.9-18.6178.8-590000113.3C386 C430 I435 R437C386-C433 PolarHBondContact SG-SG 2.95Å; C430-C433 HydrophobicContact CB-CB 4.14Å; C430-C433 PolarHBondContact O-N 3.26Å; C430-C433 PolarHBondContact SG-N 3.1Å; C430-C433 VanDerWaalsContact SG-N 3.41Å; C433-I435 HydrophobicContact CB-CG2 3.49Å; C433-I435 VanDerWaalsContact CB-CG2 3.49Å; C433-I435 PolarHBondContact O-N 2.91Å; C433-R437 PolarHBondContact SG-NE 3.3Å
434N92.5Very high94.4Very high117 Ų11767.6 Ų67.663%0.62636%0.362SS*.THydrogen-bonded Turntrans57.336.8-175.3-138.138000113W429 C430W429-N434 WeakPolarHBondContact CH2-O 3.44Å; W429-N434 HydrophobicContact CZ2-CB 4.27Å; W429-N434 WeakPolarHBondContact CZ2-OD1 3.29Å; C430-N434 WeakPolarHBondContact O-CA 3.11Å; C430-N434 PolarHBondContact O-N 3.28Å
435I94.6Very high94.3Very high90 Ų9065.6 Ų65.646%0.46235%0.352SS..EExtended strand (participates in β ladder)trans-148.6151179.7175.7168.9000109.4C430 C433 R437C430-I435 PolarHBondContact N-O 3.35Å; C430-I435 VanDerWaalsContact N-O 3.08Å; C433-I435 HydrophobicContact CB-CG2 3.49Å; C433-I435 VanDerWaalsContact CB-CG2 3.49Å; C433-I435 PolarHBondContact O-N 2.91Å; I435-R437 HydrophobicContact CG2-CG 4.49Å
436G95Very high94Very high23 Ų2361.8 Ų61.824%0.23733%0.331CS..EExtended strand (participates in β ladder)trans-71.2128.4170.400000112.1I428I428-G436 WeakPolarHBondContact O-CA 3.43Å
437R94.6Very high93.7Very high69 Ų6963.5 Ų63.526%0.2632%0.324SS..EExtended strand (participates in β ladder)trans-126.8151.3178.7-70.6-178.6173.1-95.2-2110.8Y383 E384 G385 I428 C433 I435 A439Y383-R437 HydrophobicContact CD1-CB 4.38Å; E384-R437 WeakPolarHBondContact O-CD 3.25Å; E384-R437 PolarHBondContact O-NH1 2.87Å; G385-R437 PolarHBondContact O-NH1 2.82Å; I428-R437 PolarHBondContact N-O 3.05Å; I428-R437 PolarHBondContact O-N 2.85Å; C433-R437 PolarHBondContact SG-NE 3.3Å; I435-R437 HydrophobicContact CG2-CG 4.49Å; R437-A439 PolarHBondContact O-N 3.09Å
438P96.3Very high93.4Very high48 Ų4858.3 Ų58.331%0.31230%0.297SS..  trans-55138.3160.5-18.932.3000109E384 L423 L427E384-P438 HydrophobicContact CB-CB 4.4Å; E384-P438 HydrophobicContact CG-CB 4.25Å; E384-P438 PolarHBondContact N-O 3.45Å; L423-P438 HydrophobicContact CD1-CB 4.32Å; L427-P438 HydrophobicContact CD2-CG 3.92Å
439A96.3Very high93.4Very high0 Ų055.8 Ų55.80%028%0.284CS..EExtended strand (participates in β ladder)trans-138.9144.4-17600000110.4I381 S382 Y383 I424 I428 R437I381-A439 HydrophobicContact CG2-CB 3.82Å; S382-A439 CarbonylContact O-C 3.33Å; S382-A439 VanDerWaalsContact O-CA 3.29Å; S382-A439 WeakPolarHBondContact O-CA 3.48Å; Y383-A439 HydrophobicContact CD1-CB 4.07Å; Y383-A439 HydrophobicContact CE1-CB 4.46Å; I424-A439 WeakPolarHBondContact CB-O 3.29Å; I424-A439 HydrophobicContact CD1-CB 4.15Å; I424-A439 WeakPolarHBondContact CG1-O 3.49Å; I424-A439 PolarHBondContact N-O 3.27Å; I428-A439 HydrophobicContact CB-CB 3.97Å; I428-A439 HydrophobicContact CG1-CB 4.05Å; R437-A439 PolarHBondContact O-N 3.09Å
440V96.1Very high93.1Very high37 Ų3749 Ų4922%0.22426%0.259CS..EExtended strand (participates in β ladder)trans-107.3128177.4177.10000108.3I381 S382 P421 E422 L423I381-V440 WeakPolarHBondContact CA-O 3.43Å; S382-V440 PolarHBondContact N-O 3.36Å; S382-V440 PolarHBondContact O-N 3.37Å; P421-V440 HydrophobicContact CB-CG1 3.48Å; P421-V440 VanDerWaalsContact CB-CG1 3.48Å; E422-V440 CarbonylContact O-C 3.54Å; E422-V440 WeakPolarHBondContact O-CA 3.42Å; L423-V440 HydrophobicContact CD1-CG2 4.08Å
441K95.4Very high93.1Very high82 Ų8249.1 Ų49.136%0.35726%0.259SS..EExtended strand (participates in β ladder)trans-98.2134.9173.1-166.8176.6-178.2-177.60109.3S379 V380 I381 P421 E422 I424 F443S379-K441 WeakPolarHBondContact OG-CE 3.2Å; V380-K441 WeakPolarHBondContact O-CA 3.22Å; I381-K441 HydrophobicContact CG1-CG 4.34Å; P421-K441 WeakPolarHBondContact CA-O 3.34Å; E422-K441 PolarHBondContact N-O 2.87Å; E422-K441 PolarHBondContact O-N 3.32Å; I424-K441 HydrophobicContact CD1-CB 3.96Å; I424-K441 HydrophobicContact CG1-CB 3.87Å; K441-F443 HydrophobicContact CD-CZ 4.43Å
442Q95.5Very high93.3Very high59 Ų5945.7 Ų45.728%0.27624%0.235SC..EExtended strand (participates in β ladder)trans-136.8142.1174-174.9177.57.700109.5S379 V380 P421S379-Q442 WeakPolarHBondContact CA-O 3.11Å; V380-Q442 PolarHBondContact N-O 2.82Å; V380-Q442 PolarHBondContact O-N 2.96Å; P421-Q442 HydrophobicContact CB-CB 4.32Å; P421-Q442 HydrophobicContact CB-CG 4.47Å; P421-Q442 HydrophobicContact CG-CG 4.17Å
443F95.2Very high93.5Very high49 Ų4939.1 Ų39.122%0.21521%0.205CC..EExtended strand (participates in β ladder)trans-98.4152.3170.4-68.1-70.3000111.3L377 E378 S379 Y418 F419 K441L377-F443 HydrophobicContact CD1-CB 4.16Å; L377-F443 HydrophobicContact CD1-CD1 4.5Å; L377-F443 HydrophobicContact CD2-CD1 3.66Å; L377-F443 HydrophobicContact CD2-CE1 4.01Å; L377-F443 HydrophobicContact CD2-CG 4.26Å; L377-F443 HydrophobicContact CG-CB 4.48Å; L377-F443 HydrophobicContact CG-CD1 3.93Å; E378-F443 CarbonylContact O-C 3.58Å; E378-F443 VanDerWaalsContact O-CA 3.25Å; E378-F443 WeakPolarHBondContact O-CA 3.25Å; S379-F443 WeakPolarHBondContact OG-CE1 3.24Å; Y418-F443 HydrophobicContact CE1-CB 4.33Å; Y418-F443 HydrophobicContact CE1-CD2 4.38Å; Y418-F443 HydrophobicContact CE1-CG 4.42Å; F419-F443 HydrophobicContact CD1-CB 3.99Å; F419-F443 HydrophobicContact CE1-CB 4.29Å; K441-F443 HydrophobicContact CD-CZ 4.43Å
444S93.8Very high93.8Very high14 Ų1437.1 Ų37.110%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-150.1143.8174.1-560000109.4E378E378-S444 PolarHBondContact N-O 3.28Å; E378-S444 PolarHBondContact O-N 2.89Å
445L92.3Very high94Very high1 Ų132.8 Ų32.81%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-82.5128.6174.7-68.5166.2000109.7L377 F396 L399 F419 L448 M477 Y480 L481 H482L377-L445 HydrophobicContact CD1-CD2 3.87Å; L377-L445 HydrophobicContact CD1-CG 4.44Å; F396-L445 HydrophobicContact CE1-CD2 3.55Å; F396-L445 HydrophobicContact CZ-CD2 3.58Å; L399-L445 HydrophobicContact CD1-CD2 4.47Å; F419-L445 HydrophobicContact CE1-CD1 4.25Å; F419-L445 HydrophobicContact CE1-CD2 4.37Å; F419-L445 HydrophobicContact CE1-CG 3.78Å; F419-L445 HydrophobicContact CE2-CD1 4.42Å; F419-L445 HydrophobicContact CZ-CD1 3.71Å; F419-L445 HydrophobicContact CZ-CD2 4.16Å; F419-L445 HydrophobicContact CZ-CG 3.68Å; L445-L448 HydrophobicContact CD1-CD2 3.81Å; L445-M477 HydrophobicContact CD1-CE 3.37Å; L445-Y480 PolarHBondContact N-O 3.46Å; L445-L481 HydrophobicContact CB-CD2 3.91Å; L445-L481 WeakPolarHBondContact O-CA 3.36Å; L445-H482 PolarHBondContact O-N 3.49Å
446L87.3Confident94Very high75 Ų7528.5 Ų28.539%0.39314%0.144SC..EExtended strand (participates in β ladder)trans-100.4-49.1174.1-67.9-178.2000111.5D376 E378 V393 H482D376-L446 HydrophobicContact CB-CB 4.1Å; D376-L446 PolarHBondContact O-N 3.46Å; E378-L446 HydrophobicContact CB-CD1 3.71Å; E378-L446 HydrophobicContact CB-CD2 4.2Å; E378-L446 HydrophobicContact CB-CG 3.71Å; E378-L446 HydrophobicContact CG-CD1 4.27Å; V393-L446 HydrophobicContact CB-CD1 4.36Å; V393-L446 HydrophobicContact CG1-CD1 3.91Å; V393-L446 HydrophobicContact CG2-CD1 3.49Å; V393-L446 VanDerWaalsContact CG2-CD1 3.49Å; L446-H482 HydrophobicContact CD2-CB 3.75Å
447H86.3Confident93.9Very high93 Ų9330.9 Ų30.943%0.43115%0.148SC..EExtended strand (participates in β ladder)trans-120.9125176-177.7-109.1000110F374 G375 D376F374-H447 PolarHBondContact O-ND1 2.64Å; G375-H447 CarbonylContact C-O 3.59Å; G375-H447 WeakPolarHBondContact CA-O 3.38Å; D376-H447 HydrophobicContact CB-CB 3.8Å; D376-H447 PolarHBondContact N-O 3.38Å; D376-H447 PolarHBondContact O-N 3.03Å; D376-H447 VanDerWaalsContact OD2-CB 3.26Å; D376-H447 WeakPolarHBondContact OD2-CB 3.37Å
448L90Very high93.5Very high9 Ų927.9 Ų27.95%0.04714%0.137CC..  trans-92.9121.2-179.3-92179000110.2L445 L452 M477 L481 D493 Y495 K551L445-L448 HydrophobicContact CD1-CD2 3.81Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 HydrophobicContact CD2-CD2 4.4Å; L448-M477 HydrophobicContact CD1-CB 4.14Å; L448-M477 HydrophobicContact CD2-CB 4.03Å; L448-M477 HydrophobicContact CD2-CG 4.47Å; L448-L481 HydrophobicContact CD1-CD1 4.31Å; L448-L481 HydrophobicContact CD1-CD2 3.76Å; L448-L481 HydrophobicContact CD1-CG 4.3Å; L448-L481 HydrophobicContact CG-CD2 3.82Å; L448-D493 HydrophobicContact CD1-CB 4.25Å; L448-Y495 WeakPolarHBondContact CB-OH 3.46Å; L448-Y495 HydrophobicContact CD1-CE2 4.3Å; L448-Y495 HydrophobicContact CD2-CE2 4.39Å; L448-K551 PolarHBondContact O-NZ 2.92Å
449P92.2Very high92.4Very high1 Ų128.9 Ų28.91%0.00614%0.144CC..  trans-65.7160.9-179.928.8-34.3000111.1F373 F374 F396 V451 L452 Y495 K551F373-P449 WeakPolarHBondContact O-CB 3.5Å; F374-P449 WeakPolarHBondContact O-CA 3.35Å; F374-P449 WeakPolarHBondContact O-CB 3.43Å; F396-P449 HydrophobicContact CE2-CG 4.26Å; F396-P449 HydrophobicContact CZ-CG 4.25Å; P449-V451 WeakPolarHBondContact CB-O 3.45Å; P449-V451 WeakPolarHBondContact CG-O 3.41Å; P449-V451 PolarHBondContact O-N 3.27Å; P449-L452 HydrophobicContact CG-CD2 3.53Å; P449-L452 HydrophobicContact CG-CG 3.96Å; P449-Y495 WeakPolarHBondContact O-CE1 3.41Å; P449-Y495 PolarHBondContact O-OH 3.43Å; P449-K551 VanDerWaalsContact O-CE 3.24Å; P449-K551 WeakPolarHBondContact O-CE 3.31Å
450N89.8Confident91.2Very high9 Ų932.3 Ų32.35%0.04816%0.16CC..SBendtrans-66.1-27.6172.4-80.7-36000112.7F136 Q371 V372 H550 K551 L554F136-N450 PolarHBondContact O-ND2 3.46Å; Q371-N450 PolarHBondContact O-ND2 3.13Å; V372-N450 CarbonylContact O-C 3.52Å; V372-N450 WeakPolarHBondContact O-CB 3.47Å; V372-N450 PolarHBondContact O-N 3.05Å; V372-N450 VanDerWaalsContact O-N 3.12Å; N450-H550 WeakPolarHBondContact O-CA 3.46Å; N450-K551 PolarHBondContact O-N 3.5Å; N450-L554 HydrophobicContact CB-CD1 3.97Å
451V94.8Very high89.6Confident1 Ų137.8 Ų37.81%0.00618%0.183CC..EExtended strand (participates in β ladder)trans-129.9121.2176.8174.90000109.5T193 V372 F373 P449 Y498 Y549 H550T193-V451 HydrophobicContact CG2-CG2 3.65Å; V372-V451 HydrophobicContact CG1-CB 3.95Å; V372-V451 HydrophobicContact CG1-CG2 3.55Å; V372-V451 PolarHBondContact O-N 3.07Å; F373-V451 HydrophobicContact CD1-CB 3.96Å; F373-V451 HydrophobicContact CD1-CG1 3.79Å; F373-V451 HydrophobicContact CE1-CB 3.95Å; F373-V451 HydrophobicContact CE1-CG1 3.46Å; F373-V451 VanDerWaalsContact CE1-CG1 3.46Å; F373-V451 HydrophobicContact CZ-CG1 4.36Å; P449-V451 WeakPolarHBondContact CB-O 3.45Å; P449-V451 WeakPolarHBondContact CG-O 3.41Å; P449-V451 PolarHBondContact O-N 3.27Å; V451-Y498 HydrophobicContact CG1-CE1 3.99Å; V451-Y498 WeakPolarHBondContact CG1-OH 3.46Å; V451-Y549 CarbonylContact C-O 3.55Å; V451-Y549 WeakPolarHBondContact CA-O 3.25Å; V451-H550 HydrophobicContact CG2-CB 4.1Å
452L96.6Very high88.2Confident0 Ų040.2 Ų40.20%020%0.2CC..EExtended strand (participates in β ladder)trans-90.6129.9172.3-75164.3000109.7F396 L399 L448 P449 F454 M477 Y495 L548 Y549F396-L452 HydrophobicContact CE2-CD2 4.28Å; F396-L452 HydrophobicContact CZ-CD2 4.41Å; L399-L452 HydrophobicContact CD1-CD2 4.45Å; L448-L452 HydrophobicContact CD2-CD1 4.44Å; L448-L452 HydrophobicContact CD2-CD2 4.4Å; P449-L452 HydrophobicContact CG-CD2 3.53Å; P449-L452 HydrophobicContact CG-CG 3.96Å; L452-F454 HydrophobicContact CB-CE2 3.92Å; L452-F454 HydrophobicContact CB-CZ 4.09Å; L452-F454 HydrophobicContact CD1-CE2 4.36Å; L452-F454 HydrophobicContact CD1-CZ 4.02Å; L452-F454 HydrophobicContact CD2-CZ 4.48Å; L452-F454 HydrophobicContact CG-CZ 4.44Å; L452-M477 HydrophobicContact CD1-CE 4.39Å; L452-M477 HydrophobicContact CD1-CG 3.58Å; L452-M477 HydrophobicContact CD1-SD 4.22Å; L452-Y495 HydrophobicContact CB-CD1 4.44Å; L452-Y495 HydrophobicContact CB-CE1 4.36Å; L452-Y495 HydrophobicContact CD1-CD1 3.71Å; L452-Y495 HydrophobicContact CD1-CD2 3.8Å; L452-Y495 HydrophobicContact CD1-CE1 3.51Å; L452-Y495 HydrophobicContact CD1-CE2 3.61Å; L452-Y495 HydrophobicContact CD1-CG 3.88Å; L452-Y495 VanDerWaalsContact CD1-CZ 3.46Å; L452-Y495 HydrophobicContact CG-CD1 4.11Å; L452-Y495 HydrophobicContact CG-CE1 3.66Å; L452-L548 WeakPolarHBondContact O-CA 3.44Å; L452-Y549 PolarHBondContact N-O 3.26Å; L452-Y549 PolarHBondContact O-N 2.91Å
453C98Very high87.2Confident2 Ų241.6 Ų41.61%0.01421%0.212CC..EExtended strand (participates in β ladder)trans-109.4118.1169.5179.20000108.9D398 L399D398-C453 CarbonylContact C-O 3.59Å; D398-C453 WeakPolarHBondContact CA-O 3.41Å; D398-C453 HydrophobicContact CB-CB 3.98Å; D398-C453 WeakPolarHBondContact CB-O 3.44Å; L399-C453 PolarHBondContact N-O 3.34Å
454F98.1Very high86.5Confident0 Ų041 Ų410%021%0.21CC..EExtended strand (participates in β ladder)trans-104.5122.6172.1-60-73.4000109.7L399 L401 L411 L415 L452 L475 M477 V546 L547 Y549L399-F454 HydrophobicContact CB-CD1 3.83Å; L399-F454 HydrophobicContact CB-CE1 4.11Å; L399-F454 HydrophobicContact CD1-CD1 4.22Å; L399-F454 HydrophobicContact CD1-CE1 3.62Å; L399-F454 HydrophobicContact CG-CE1 4.43Å; L399-F454 WeakPolarHBondContact O-CA 3.46Å; L401-F454 HydrophobicContact CD1-CB 4.32Å; L401-F454 HydrophobicContact CD1-CD1 3.84Å; L401-F454 HydrophobicContact CD1-CG 4.36Å; L401-F454 HydrophobicContact CG-CD1 4.33Å; L411-F454 HydrophobicContact CD1-CB 4.48Å; L411-F454 HydrophobicContact CD1-CD2 4.48Å; L411-F454 HydrophobicContact CD1-CG 4.26Å; L411-F454 HydrophobicContact CD2-CD2 4.41Å; L411-F454 HydrophobicContact CD2-CE2 4.48Å; L415-F454 HydrophobicContact CD1-CE1 4.49Å; L415-F454 HydrophobicContact CD1-CZ 4.48Å; L415-F454 HydrophobicContact CD2-CD1 4.1Å; L415-F454 HydrophobicContact CD2-CE1 3.52Å; L415-F454 HydrophobicContact CD2-CZ 4.24Å; L452-F454 HydrophobicContact CB-CE2 3.92Å; L452-F454 HydrophobicContact CB-CZ 4.09Å; L452-F454 HydrophobicContact CD1-CE2 4.36Å; L452-F454 HydrophobicContact CD1-CZ 4.02Å; L452-F454 HydrophobicContact CD2-CZ 4.48Å; L452-F454 HydrophobicContact CG-CZ 4.44Å; F454-L475 HydrophobicContact CE2-CD2 3.48Å; F454-L475 VanDerWaalsContact CE2-CD2 3.48Å; F454-L475 HydrophobicContact CZ-CD2 3.69Å; F454-M477 HydrophobicContact CE1-CE 4.43Å; F454-M477 HydrophobicContact CZ-CE 4.18Å; F454-M477 HydrophobicContact CZ-SD 3.98Å; F454-V546 CarbonylContact O-C 3.51Å; F454-V546 VanDerWaalsContact O-CA 3.31Å; F454-V546 WeakPolarHBondContact O-CA 3.21Å; F454-L547 HydrophobicContact CB-CB 4.28Å; F454-L547 HydrophobicContact CD2-CB 4.42Å; F454-L547 PolarHBondContact N-O 3.33Å; F454-L547 PolarHBondContact O-N 3.07Å; F454-Y549 AromaticContact CD2-CD2 3.75Å; F454-Y549 HydrophobicContact CD2-CD2 3.75Å; F454-Y549 AromaticContact CD2-CE2 3.95Å; F454-Y549 HydrophobicContact CD2-CE2 3.95Å; F454-Y549 AromaticContact CE2-CD2 3.73Å; F454-Y549 HydrophobicContact CE2-CD2 3.73Å; F454-Y549 HydrophobicContact CE2-CE2 4.08Å; F454-Y549 HydrophobicContact CE2-CG 4.48Å
455Y96.5Very high85.8Confident26 Ų2640.9 Ų40.910%0.10221%0.208CC..EExtended strand (participates in β ladder)trans-99.1123.5170.9171.5-132.3000109.9H261 L399 S400 L401 K457 Y545 V546H261-Y455 HydrophobicContact CB-CD2 3.75Å; H261-Y455 HydrophobicContact CB-CE2 3.98Å; H261-Y455 HydrophobicContact CB-CG 4.15Å; H261-Y455 VanDerWaalsContact CD2-CB 3.41Å; H261-Y455 WeakPolarHBondContact CD2-CB 3.32Å; H261-Y455 AromaticContact CD2-CD2 3.99Å; H261-Y455 AromaticContact CD2-CG 3.56Å; H261-Y455 AromaticContact CE1-CD1 3.54Å; H261-Y455 AromaticContact CE1-CG 3.83Å; H261-Y455 AromaticContact CG-CD1 3.89Å; H261-Y455 AromaticContact CG-CD2 3.7Å; H261-Y455 AromaticContact CG-CG 3.56Å; H261-Y455 AromaticContact ND1-CD1 3.58Å; H261-Y455 AromaticContact ND1-CE1 3.81Å; H261-Y455 AromaticContact ND1-CG 3.77Å; H261-Y455 WeakPolarHBondContact NE2-CB 3.46Å; H261-Y455 AromaticContact NE2-CD1 3.84Å; H261-Y455 AromaticContact NE2-CG 3.7Å; L399-Y455 PolarHBondContact O-N 3.45Å; S400-Y455 CarbonylContact C-O 3.44Å; S400-Y455 WeakPolarHBondContact CA-O 2.86Å; S400-Y455 WeakPolarHBondContact OG-CD1 3.31Å; L401-Y455 PolarHBondContact N-O 2.87Å; Y455-K457 HydrophobicContact CD1-CG 4.08Å; Y455-K457 HydrophobicContact CE1-CG 3.81Å; Y455-Y545 HydrophobicContact CE2-CD2 4.48Å; Y455-Y545 AromaticContact CE2-CE1 3.98Å; Y455-Y545 HydrophobicContact CE2-CE1 3.98Å; Y455-Y545 AromaticContact CE2-CE2 3.78Å; Y455-Y545 HydrophobicContact CE2-CE2 3.78Å; Y455-Y545 AromaticContact CE2-CZ 3.5Å; Y455-Y545 VanDerWaalsContact CE2-CZ 3.5Å; Y455-Y545 WeakPolarHBondContact CE2-OH 3.49Å; Y455-Y545 PolarHBondContact OH-OH 3.42Å; Y455-V546 HydrophobicContact CD2-CG2 4.23Å
456L94.9Very high85.2Confident0 Ų046.1 Ų46.10%024%0.236CC..EExtended strand (participates in β ladder)trans-94.6105.9179.5-61166.8000108.6L401 V403 R458 I469 A544 Y545 L547L401-L456 HydrophobicContact CB-CD2 4.41Å; L401-L456 HydrophobicContact CD1-CD2 4.37Å; V403-L456 HydrophobicContact CG2-CB 3.99Å; V403-L456 HydrophobicContact CG2-CD2 4.37Å; L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 2.85Å; L456-I469 HydrophobicContact CB-CD1 4.4Å; L456-I469 HydrophobicContact CD1-CD1 4.01Å; L456-I469 HydrophobicContact CD2-CD1 4.06Å; L456-I469 HydrophobicContact CG-CD1 4.38Å; L456-A544 HydrophobicContact CD1-CB 4.07Å; L456-A544 VanDerWaalsContact CD1-O 3.24Å; L456-A544 WeakPolarHBondContact CD1-O 3.5Å; L456-Y545 WeakPolarHBondContact CB-O 3.46Å; L456-Y545 PolarHBondContact N-O 2.89Å; L456-L547 HydrophobicContact CD1-CD1 4.08Å; L456-L547 HydrophobicContact CD1-CG 4.38Å
457K91.1Very high85Confident74 Ų7443 Ų4332%0.32222%0.22SC..EExtended strand (participates in β ladder)trans-68.787-177.8-62.4-170.2-152.4147.70110.9S400 L401 D402 Y455S400-K457 VanDerWaalsContact CB-CE 3.45Å; S400-K457 VanDerWaalsContact O-CE 3.28Å; S400-K457 WeakPolarHBondContact O-CE 3.49Å; L401-K457 WeakPolarHBondContact O-CB 3.34Å; L401-K457 PolarHBondContact O-N 2.87Å; D402-K457 WeakPolarHBondContact OD1-CD 3.49Å; D402-K457 WeakPolarHBondContact OD1-CE 3.33Å; D402-K457 IonicContact OD1-NZ 2.89Å; D402-K457 PolarHBondContact OD1-NZ 3.2Å; D402-K457 IonicContact OD2-NZ 3.87Å; Y455-K457 HydrophobicContact CD1-CG 4.08Å; Y455-K457 HydrophobicContact CE1-CG 3.81Å
458R86.3Confident85Confident6 Ų641.3 Ų41.32%0.02322%0.219CC..  trans-88.9-6179.5-68.2-177.6179.9-84.12.8113.5L456 K464 I465 T467 A544L456-R458 VanDerWaalsContact C-N 3.32Å; L456-R458 PolarHBondContact O-N 2.85Å; R458-K464 HydrophobicContact CB-CG 4.47Å; R458-K464 CarbonylContact O-C 3.43Å; R458-K464 WeakPolarHBondContact O-CA 3.49Å; R458-I465 HydrophobicContact CB-CB 4.45Å; R458-I465 PolarHBondContact NH1-O 3.38Å; R458-I465 PolarHBondContact O-N 3.12Å; R458-T467 PolarHBondContact NH1-O 3.43Å; R458-A544 PolarHBondContact NE-O 2.96Å; R458-A544 PolarHBondContact NH2-O 3.15Å
459C74.3Confident85.1Confident69 Ų6941 Ų4147%0.46622%0.217SC..EExtended strand (participates in β ladder)trans-95.1120.8179.2-158.20000110.2T507C459-T507 HydrophobicContact CB-CG2 4.43Å; C459-T507 WeakPolarHBondContact SG-CG2 3.37Å
460H70Confident85.2Confident71 Ų7144.9 Ų44.933%0.32924%0.241SC..EExtended strand (participates in β ladder)trans-140.6119.7176.3-173.679.2000110.4Q405 D462 T463 I465Q405-H460 PolarHBondContact NE2-CD2 2.87Å; Q405-H460 PolarHBondContact NE2-NE2 2.82Å; H460-D462 VanDerWaalsContact C-N 3.31Å; H460-D462 PolarHBondContact O-N 3.13Å; H460-T463 PolarHBondContact N-O 3.11Å; H460-T463 PolarHBondContact O-N 2.92Å; H460-T463 PolarHBondContact O-OG1 2.86Å; H460-I465 HydrophobicContact CB-CD1 4Å; H460-I465 HydrophobicContact CB-CG1 4.36Å
461H63.2Low85.5Confident153 Ų15345 Ų4571%0.70824%0.241SC*.THydrogen-bonded Turntrans4552.3-178.2-60.6-52.6000113T463H461-T463 PolarHBondContact O-N 2.74Å
462D66.7Low85.6Confident132 Ų13247.3 Ų47.371%0.70626%0.256SS*.THydrogen-bonded Turntrans64.11.3-178.2-54.6-44.7000116.4H460 T507H460-D462 VanDerWaalsContact C-N 3.31Å; H460-D462 PolarHBondContact O-N 3.13Å; D462-T507 WeakPolarHBondContact O-CG2 3.43Å; D462-T507 PolarHBondContact O-OG1 3.26Å
463T73.3Confident85.4Confident88 Ų8848.7 Ų48.754%0.5427%0.265SS..EExtended strand (participates in β ladder)trans-100.8146173670000111.3H460 H461H460-T463 PolarHBondContact N-O 3.11Å; H460-T463 PolarHBondContact O-N 2.92Å; H460-T463 PolarHBondContact O-OG1 2.86Å; H461-T463 PolarHBondContact O-N 2.74Å
464K80.2Confident85.2Confident36 Ų3652.9 Ų52.916%0.15728%0.284CS..EExtended strand (participates in β ladder)trans-93.7127.3175.8-173.5-179.5174174.20110.9R458 N466 H503 G505 T507R458-K464 HydrophobicContact CB-CG 4.47Å; R458-K464 CarbonylContact O-C 3.43Å; R458-K464 WeakPolarHBondContact O-CA 3.49Å; K464-N466 PolarHBondContact O-N 3.27Å; K464-H503 PolarHBondContact NZ-ND1 2.77Å; K464-H503 PolarHBondContact NZ-O 3.27Å; K464-G505 WeakPolarHBondContact CD-O 3.48Å; K464-G505 WeakPolarHBondContact CE-O 3.49Å; K464-G505 PolarHBondContact NZ-O 3.13Å; K464-T507 HydrophobicContact CB-CG2 3.99Å
465I79.7Confident85Confident12 Ų1253 Ų536%0.06229%0.285CS..  trans-78.5106.1172.7-58.4172.8000108.8V403 I404 Q405 R458 H460 T467V403-I465 HydrophobicContact CG1-CG2 3.85Å; V403-I465 WeakPolarHBondContact O-CD1 3.25Å; I404-I465 WeakPolarHBondContact O-CG2 3.34Å; Q405-I465 HydrophobicContact CG-CD1 4.03Å; Q405-I465 HydrophobicContact CG-CG1 4.4Å; R458-I465 HydrophobicContact CB-CB 4.45Å; R458-I465 PolarHBondContact NH1-O 3.38Å; R458-I465 PolarHBondContact O-N 3.12Å; H460-I465 HydrophobicContact CB-CD1 4Å; H460-I465 HydrophobicContact CB-CG1 4.36Å; I465-T467 VanDerWaalsContact C-N 3.28Å; I465-T467 PolarHBondContact O-N 3.17Å
466N80.9Confident84.7Confident111 Ų11154 Ų5459%0.59429%0.292SS*.  trans-92.621.1176.1-60.2-42.4000112.4K464 S468K464-N466 PolarHBondContact O-N 3.27Å; N466-S468 PolarHBondContact O-N 2.91Å
467T82Confident84.5Confident9 Ų954 Ų546%0.05529%0.292CS..  trans-59.9128174.3-71.70000109.6V403 I404 Q405 G407 T409 R458 I465V403-T467 HydrophobicContact CG1-CG2 4.41Å; I404-T467 HydrophobicContact CG1-CG2 4.23Å; I404-T467 WeakPolarHBondContact O-CB 3.38Å; I404-T467 PolarHBondContact O-OG1 3.41Å; Q405-T467 PolarHBondContact O-OG1 2.75Å; G407-T467 WeakPolarHBondContact O-CG2 3.41Å; T409-T467 HydrophobicContact CG2-CG2 4.13Å; R458-T467 PolarHBondContact NH1-O 3.43Å; I465-T467 VanDerWaalsContact C-N 3.28Å; I465-T467 PolarHBondContact O-N 3.17Å
468S86.4Confident84.3Confident59 Ų5951.5 Ų51.541%0.41328%0.284SS..  trans-68.4132.2172.8-176.70000110T409 N466T409-S468 PolarHBondContact N-O 3.44Å; N466-S468 PolarHBondContact O-N 2.91Å
469I91.1Very high84.4Confident1 Ų155.3 Ų55.31%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-120.7118.2-178.8-54.2-178.9000107.6V403 T409 L456 F471V403-I469 HydrophobicContact CB-CD1 4.25Å; V403-I469 HydrophobicContact CG1-CD1 3.55Å; V403-I469 HydrophobicContact CG1-CG1 4.22Å; V403-I469 HydrophobicContact CG2-CD1 3.61Å; T409-I469 HydrophobicContact CG2-CB 4.38Å; T409-I469 HydrophobicContact CG2-CD1 4.31Å; T409-I469 HydrophobicContact CG2-CG1 3.76Å; T409-I469 HydrophobicContact CG2-CG2 4.23Å; T409-I469 WeakPolarHBondContact O-CA 3.28Å; L456-I469 HydrophobicContact CB-CD1 4.4Å; L456-I469 HydrophobicContact CD1-CD1 4.01Å; L456-I469 HydrophobicContact CD2-CD1 4.06Å; L456-I469 HydrophobicContact CG-CD1 4.38Å; I469-F471 WeakPolarHBondContact O-CD1 3.39Å
470T95.5Very high85.1Confident84 Ų8453.1 Ų53.152%0.51529%0.292SS..EExtended strand (participates in β ladder)trans-81.2136.3172.758.30000110T409 S410 L411T409-T470 PolarHBondContact O-N 3.44Å; T409-T470 PolarHBondContact O-OG1 3.44Å; S410-T470 CarbonylContact C-O 3.54Å; S410-T470 WeakPolarHBondContact CA-O 3.42Å; S410-T470 VanDerWaalsContact CB-OG1 3.24Å; S410-T470 WeakPolarHBondContact CB-OG1 3.31Å; L411-T470 PolarHBondContact N-O 3.37Å
471F96.7Very high85.9Confident11 Ų1151.6 Ų51.65%0.04829%0.286CS..  trans-135.3140.3178.250-90.1000109.3L411 I469 L497 V500 V539 L540 T542 A544 L547L411-F471 HydrophobicContact CB-CB 3.99Å; L411-F471 HydrophobicContact CD2-CB 4.19Å; I469-F471 WeakPolarHBondContact O-CD1 3.39Å; F471-L497 HydrophobicContact CD2-CD2 3.78Å; F471-L497 HydrophobicContact CE2-CD2 3.65Å; F471-V500 HydrophobicContact CE2-CG2 3.89Å; F471-V500 HydrophobicContact CZ-CG1 4.15Å; F471-V500 HydrophobicContact CZ-CG2 4.2Å; F471-V539 WeakPolarHBondContact CZ-O 3.35Å; F471-L540 HydrophobicContact CD2-CD2 4.16Å; F471-L540 HydrophobicContact CE2-CD2 3.91Å; F471-L540 WeakPolarHBondContact O-CD2 3.43Å; F471-T542 HydrophobicContact CE1-CG2 4.44Å; F471-T542 HydrophobicContact CZ-CG2 4.06Å; F471-A544 HydrophobicContact CD1-CB 3.99Å; F471-A544 HydrophobicContact CE1-CB 3.49Å; F471-A544 VanDerWaalsContact CE1-CB 3.49Å; F471-A544 HydrophobicContact CZ-CB 4.09Å; F471-L547 HydrophobicContact CB-CD1 3.81Å; F471-L547 HydrophobicContact CB-CD2 4.48Å; F471-L547 HydrophobicContact CD1-CD1 4.24Å; F471-L547 HydrophobicContact CD1-CD2 4.05Å; F471-L547 HydrophobicContact CD2-CD2 3.76Å; F471-L547 HydrophobicContact CE1-CD2 4.22Å; F471-L547 HydrophobicContact CE2-CD2 3.93Å; F471-L547 HydrophobicContact CG-CD1 3.96Å; F471-L547 HydrophobicContact CG-CD2 3.82Å; F471-L547 HydrophobicContact CZ-CD2 4.15Å
472P95.9Very high86.3Confident49 Ų4948.7 Ų48.732%0.31827%0.273SS..  trans-82156-177.335.5-36.5000111.1E474 L475 Y549P472-E474 VanDerWaalsContact C-N 3.35Å; P472-E474 VanDerWaalsContact CB-O 3.28Å; P472-E474 WeakPolarHBondContact CB-O 3.27Å; P472-E474 WeakPolarHBondContact CG-O 3.47Å; P472-L475 HydrophobicContact CG-CB 4.34Å; P472-L475 HydrophobicContact CG-CD1 4.07Å; P472-Y549 WeakPolarHBondContact O-CE1 3.15Å; P472-Y549 PolarHBondContact O-OH 2.75Å
473V93.6Very high85.9Confident30 Ų3050.5 Ų50.518%0.18228%0.277CS..SBendtrans-68.6-40.2169.4-178.30000110.6S496 L497 L536 L540V473-S496 CarbonylContact O-C 3.5Å; V473-S496 WeakPolarHBondContact O-CA 3.47Å; V473-L497 WeakPolarHBondContact O-CB 3.17Å; V473-L497 PolarHBondContact O-N 3.45Å; V473-L536 HydrophobicContact CG2-CD1 3.65Å; V473-L536 HydrophobicContact CG2-CD2 3.9Å; V473-L536 HydrophobicContact CG2-CG 4.25Å; V473-L540 HydrophobicContact CG2-CD1 4.2Å; V473-L540 HydrophobicContact CG2-CD2 3.93Å; V473-L540 HydrophobicContact CG2-CG 4.5Å
474E92.3Very high84.8Confident89 Ų8952.7 Ų52.742%0.41628%0.284SS..EExtended strand (participates in β ladder)trans-110.6124.7178.7-62.2-62.3135.200109P472 Y495 S496 N552P472-E474 VanDerWaalsContact C-N 3.35Å; P472-E474 VanDerWaalsContact CB-O 3.28Å; P472-E474 WeakPolarHBondContact CB-O 3.27Å; P472-E474 WeakPolarHBondContact CG-O 3.47Å; E474-Y495 CarbonylContact C-O 3.23Å; E474-Y495 VanDerWaalsContact CA-O 3.31Å; E474-Y495 WeakPolarHBondContact CA-O 3.38Å; E474-S496 WeakPolarHBondContact OE1-CB 3.26Å; E474-S496 PolarHBondContact OE1-OG 3.42Å; E474-S496 PolarHBondContact OE2-OG 3.46Å; E474-N552 PolarHBondContact OE2-ND2 3.26Å; E474-N552 PolarHBondContact OE2-OD1 2.9Å
475L93.4Very high83Confident3 Ų358.2 Ų58.22%0.01632%0.32CS..EExtended strand (participates in β ladder)trans-119.2129.6-175.9179.965.8000109.9L411 L415 F454 P472 M477 K494 Y495 Y549L411-L475 HydrophobicContact CD2-CD1 4.33Å; L411-L475 HydrophobicContact CD2-CD2 4.07Å; L415-L475 HydrophobicContact CD1-CD1 4.17Å; L415-L475 HydrophobicContact CD1-CD2 4.46Å; F454-L475 HydrophobicContact CE2-CD2 3.48Å; F454-L475 VanDerWaalsContact CE2-CD2 3.48Å; F454-L475 HydrophobicContact CZ-CD2 3.69Å; P472-L475 HydrophobicContact CG-CB 4.34Å; P472-L475 HydrophobicContact CG-CD1 4.07Å; L475-M477 HydrophobicContact CD1-SD 4.48Å; L475-M477 HydrophobicContact CD2-CG 4.27Å; L475-M477 HydrophobicContact CD2-SD 3.69Å; L475-M477 HydrophobicContact CG-CG 4.3Å; L475-M477 HydrophobicContact CG-SD 3.96Å; L475-K494 CarbonylContact O-C 3.54Å; L475-K494 VanDerWaalsContact O-CA 3.32Å; L475-K494 WeakPolarHBondContact O-CA 3.42Å; L475-Y495 PolarHBondContact N-O 3.01Å; L475-Y495 PolarHBondContact O-N 3.33Å; L475-Y549 HydrophobicContact CB-CD1 3.98Å; L475-Y549 HydrophobicContact CB-CE1 3.78Å; L475-Y549 HydrophobicContact CD2-CD1 4.43Å; L475-Y549 HydrophobicContact CD2-CD2 4.44Å; L475-Y549 HydrophobicContact CD2-CE1 4.4Å; L475-Y549 HydrophobicContact CD2-CE2 4.37Å; L475-Y549 HydrophobicContact CD2-CG 4.48Å
476D90.4Very high81.5Confident48 Ų4860.4 Ų60.426%0.25735%0.346SS..EExtended strand (participates in β ladder)trans-102.3119.1172.9-173.7-0.5000109.7A478 S489D476-A478 VanDerWaalsContact OD1-CB 3.29Å; D476-A478 WeakPolarHBondContact OD1-CB 3.45Å; D476-A478 PolarHBondContact OD1-N 2.95Å; D476-S489 WeakPolarHBondContact OD1-CB 3.4Å; D476-S489 PolarHBondContact OD1-OG 3.06Å; D476-S489 VanDerWaalsContact OD2-CB 3.23Å; D476-S489 WeakPolarHBondContact OD2-CB 3.44Å; D476-S489 PolarHBondContact OD2-OG 2.82Å
477M91.5Very high80.1Confident0 Ų063.3 Ų63.30%036%0.362CS..  trans-98.3-5.3-179.2-68.4-62.2-64.600113.7L415 F419 L445 L448 L452 F454 L475 P479 Y480 D493 Y495L415-M477 HydrophobicContact CD1-SD 4.09Å; L415-M477 HydrophobicContact CD2-CE 4.42Å; F419-M477 HydrophobicContact CE2-CE 4.48Å; L445-M477 HydrophobicContact CD1-CE 3.37Å; L448-M477 HydrophobicContact CD1-CB 4.14Å; L448-M477 HydrophobicContact CD2-CB 4.03Å; L448-M477 HydrophobicContact CD2-CG 4.47Å; L452-M477 HydrophobicContact CD1-CE 4.39Å; L452-M477 HydrophobicContact CD1-CG 3.58Å; L452-M477 HydrophobicContact CD1-SD 4.22Å; F454-M477 HydrophobicContact CE1-CE 4.43Å; F454-M477 HydrophobicContact CZ-CE 4.18Å; F454-M477 HydrophobicContact CZ-SD 3.98Å; L475-M477 HydrophobicContact CD1-SD 4.48Å; L475-M477 HydrophobicContact CD2-CG 4.27Å; L475-M477 HydrophobicContact CD2-SD 3.69Å; L475-M477 HydrophobicContact CG-CG 4.3Å; L475-M477 HydrophobicContact CG-SD 3.96Å; M477-P479 VanDerWaalsContact C-N 3.29Å; M477-Y480 HydrophobicContact CE-CD2 3.78Å; M477-Y480 HydrophobicContact CE-CG 4.49Å; M477-Y480 PolarHBondContact O-N 2.74Å; M477-Y480 HydrophobicContact SD-CD2 3.89Å; M477-Y480 HydrophobicContact SD-CE2 4.19Å; M477-D493 PolarHBondContact N-O 3.08Å; M477-D493 VanDerWaalsContact N-O 3.08Å; M477-Y495 HydrophobicContact CB-CE2 4.29Å; M477-Y495 HydrophobicContact CG-CD2 4.04Å; M477-Y495 HydrophobicContact CG-CE2 4.06Å
478A86.2Confident78.8Confident20 Ų2068.8 Ų68.817%0.16539%0.387CS..G310 helixtrans-54.9-35.4179.700000114.5D476 Y480 L481 S489 D493D476-A478 VanDerWaalsContact OD1-CB 3.29Å; D476-A478 WeakPolarHBondContact OD1-CB 3.45Å; D476-A478 PolarHBondContact OD1-N 2.95Å; A478-Y480 PolarHBondContact O-N 2.79Å; A478-L481 HydrophobicContact CB-CD1 4.46Å; A478-L481 PolarHBondContact O-N 2.92Å; A478-S489 VanDerWaalsContact CB-OG 3.23Å; A478-S489 WeakPolarHBondContact CB-OG 3.31Å; A478-D493 HydrophobicContact CB-CB 4.09Å
479P88.4Confident77.4Confident87 Ų8767.9 Ų67.957%0.56538%0.38SS*.G310 helixtrans-61.3-16.5177.1-25.636.2000115M477M477-P479 VanDerWaalsContact C-N 3.29Å
480Y89.6Confident76.1Confident22 Ų2267.8 Ų67.89%0.08638%0.38CS..G310 helixtrans-106.7-1.1-176.5-49.5-64.7000113.1Q412 L415 F419 L445 M477 A478Q412-Y480 VanDerWaalsContact CD-OH 3.23Å; Q412-Y480 PolarHBondContact NE2-OH 3.08Å; Q412-Y480 PolarHBondContact O-OH 2.89Å; L415-Y480 HydrophobicContact CB-CE1 3.94Å; L415-Y480 HydrophobicContact CB-CE2 3.89Å; L415-Y480 VanDerWaalsContact CB-CZ 3.46Å; L415-Y480 VanDerWaalsContact CB-OH 3.32Å; L415-Y480 WeakPolarHBondContact CB-OH 3.41Å; L415-Y480 HydrophobicContact CD1-CE2 3.85Å; L415-Y480 HydrophobicContact CG-CE2 4.41Å; F419-Y480 HydrophobicContact CB-CD1 3.83Å; F419-Y480 AromaticContact CD2-CD1 3.27Å; F419-Y480 HydrophobicContact CD2-CD1 3.27Å; F419-Y480 HydrophobicContact CD2-CD2 4.39Å; F419-Y480 AromaticContact CD2-CE1 3.94Å; F419-Y480 HydrophobicContact CD2-CE1 3.94Å; F419-Y480 AromaticContact CD2-CG 3.53Å; F419-Y480 HydrophobicContact CD2-CG 3.53Å; F419-Y480 HydrophobicContact CE2-CD1 4.04Å; F419-Y480 HydrophobicContact CE2-CD2 4.4Å; F419-Y480 AromaticContact CE2-CG 3.81Å; F419-Y480 HydrophobicContact CE2-CG 3.81Å; F419-Y480 AromaticContact CG-CD1 3.71Å; F419-Y480 HydrophobicContact CG-CD1 3.71Å; F419-Y480 HydrophobicContact CG-CG 4.12Å; L445-Y480 PolarHBondContact N-O 3.46Å; M477-Y480 HydrophobicContact CE-CD2 3.78Å; M477-Y480 HydrophobicContact CE-CG 4.49Å; M477-Y480 PolarHBondContact O-N 2.74Å; M477-Y480 HydrophobicContact SD-CD2 3.89Å; M477-Y480 HydrophobicContact SD-CE2 4.19Å; A478-Y480 PolarHBondContact O-N 2.79Å
481L86.6Confident74.5Confident39 Ų3966.4 Ų66.420%0.20437%0.365CS..BIsolated β-bridgetrans-70.3151.1172-69.1175.2000110.4L445 L448 A478 Q483L445-L481 HydrophobicContact CB-CD2 3.91Å; L445-L481 WeakPolarHBondContact O-CA 3.36Å; L448-L481 HydrophobicContact CD1-CD1 4.31Å; L448-L481 HydrophobicContact CD1-CD2 3.76Å; L448-L481 HydrophobicContact CD1-CG 4.3Å; L448-L481 HydrophobicContact CG-CD2 3.82Å; A478-L481 HydrophobicContact CB-CD1 4.46Å; A478-L481 PolarHBondContact O-N 2.92Å; L481-Q483 PolarHBondContact O-N 3.29Å; L481-Q483 VanDerWaalsContact O-N 3.16Å
482H72.8Confident73.1Confident92 Ų9267.3 Ų67.343%0.42637%0.369SS..  trans-52.5124169.8-172.9102.1000109.2E378 L445 L446 I484E378-H482 IonicContact OE2-CE1 3.78Å; E378-H482 PolarHBondContact OE2-CE1 2.87Å; E378-H482 IonicContact OE2-CG 2.93Å; E378-H482 IonicContact OE2-ND1 3.49Å; E378-H482 PolarHBondContact OE2-ND1 3.37Å; L445-H482 PolarHBondContact O-N 3.49Å; L446-H482 HydrophobicContact CD2-CB 3.75Å; H482-I484 PolarHBondContact O-N 2.97Å
483Q57.1Low72.1Confident171 Ų17165.2 Ų65.280%0.79936%0.355SS*.  trans-53.587.8-168.2-69179.7-15.800113L481 V485L481-Q483 PolarHBondContact O-N 3.29Å; L481-Q483 VanDerWaalsContact O-N 3.16Å; Q483-V485 PolarHBondContact O-N 2.81Å
484I49.6Very low71.8Confident134 Ų13467.6 Ų67.669%0.68736%0.363SS*.  trans-79.3114.5158.8-57.4179000105.3H482 G486H482-I484 PolarHBondContact O-N 2.97Å; I484-G486 PolarHBondContact O-N 3.38Å
485V43.1Very low71.8Confident151 Ų15163.4 Ų63.492%0.91534%0.343SS*.SBendtrans-48.598.7173.7178.90000109.6Q483Q483-V485 PolarHBondContact O-N 2.81Å
486G49.2Very low71.8Confident59 Ų5963.4 Ų63.461%0.60834%0.344SS*.  trans164.5103.9-176.800000110.4I484 Q488I484-G486 PolarHBondContact O-N 3.38Å; G486-Q488 PolarHBondContact O-N 2.83Å
487D49.9Very low72.1Confident172 Ų17261.1 Ų61.192%0.9233%0.331SS*.SBendtrans-70.431.4-171.2-157.322.2000114.5
488Q55.3Low72.3Confident123 Ų12361.1 Ų61.158%0.57533%0.331SS*.  trans-137102.5-172.9-62.7-169.6-8.700112.4T39 G486 A490T39-Q488 HydrophobicContact CG2-CB 3.41Å; T39-Q488 VanDerWaalsContact CG2-CB 3.41Å; T39-Q488 HydrophobicContact CG2-CG 4.34Å; G486-Q488 PolarHBondContact O-N 2.83Å; Q488-A490 PolarHBondContact O-N 3.18Å
489S56.5Low72.8Confident40 Ų4060.2 Ų60.228%0.2832%0.323SS..  trans-50132.1166.2-39.40000110.4D476 A478D476-S489 WeakPolarHBondContact OD1-CB 3.4Å; D476-S489 PolarHBondContact OD1-OG 3.06Å; D476-S489 VanDerWaalsContact OD2-CB 3.23Å; D476-S489 WeakPolarHBondContact OD2-CB 3.44Å; D476-S489 PolarHBondContact OD2-OG 2.82Å; A478-S489 VanDerWaalsContact CB-OG 3.23Å; A478-S489 WeakPolarHBondContact CB-OG 3.31Å
490A63.6Low73.3Confident0 Ų056 Ų560%030%0.297CS..  trans-78.3151.5168.900000109.9Q35 F38 Q488 Y492 D493Q35-A490 VanDerWaalsContact NE2-CB 3.33Å; F38-A490 HydrophobicContact CB-CB 3.84Å; Q488-A490 PolarHBondContact O-N 3.18Å; A490-Y492 HydrophobicContact CB-CD1 3.47Å; A490-Y492 VanDerWaalsContact CB-CD1 3.47Å; A490-Y492 HydrophobicContact CB-CE1 3.14Å; A490-Y492 HydrophobicContact CB-CG 4.38Å; A490-Y492 PolarHBondContact O-N 2.94Å; A490-D493 WeakPolarHBondContact CB-OD2 3.28Å; A490-D493 PolarHBondContact N-OD2 2.76Å; A490-D493 VanDerWaalsContact N-OD2 3.09Å; A490-D493 WeakPolarHBondContact O-CB 3.27Å; A490-D493 PolarHBondContact O-N 3.03Å
491W62.4Low73.7Confident54 Ų5455 Ų5521%0.20529%0.292CS..G310 helixtrans-58.9-23.1-179.1169.484000113.8A42 K494 N552 L553A42-W491 HydrophobicContact CB-CB 3.47Å; A42-W491 VanDerWaalsContact CB-CB 3.47Å; W491-K494 WeakPolarHBondContact O-CB 3.29Å; W491-K494 PolarHBondContact O-N 3.24Å; W491-N552 HydrophobicContact CZ2-CB 4.19Å; W491-L553 HydrophobicContact CH2-CB 4Å; W491-L553 HydrophobicContact CH2-CD1 3.93Å; W491-L553 HydrophobicContact CZ3-CB 3.98Å; W491-L553 HydrophobicContact CZ3-CD1 3.92Å
492Y67.4Low74.1Confident31 Ų3153.5 Ų53.512%0.12229%0.285CS..G310 helixtrans-85.6-8.4176.867.4-89.7000114.5Q35 F38 A490Q35-Y492 PolarHBondContact OE1-OH 3.46Å; F38-Y492 HydrophobicContact CB-CD1 3.44Å; F38-Y492 VanDerWaalsContact CB-CD1 3.44Å; F38-Y492 HydrophobicContact CB-CE1 3.23Å; F38-Y492 AromaticContact CD1-CD1 3.22Å; F38-Y492 HydrophobicContact CD1-CD1 3.22Å; F38-Y492 AromaticContact CD1-CE1 3.67Å; F38-Y492 HydrophobicContact CD1-CE1 3.67Å; F38-Y492 HydrophobicContact CD1-CG 4.18Å; F38-Y492 AromaticContact CD2-CD1 3.72Å; F38-Y492 HydrophobicContact CD2-CD1 3.72Å; F38-Y492 AromaticContact CD2-CE1 3.2Å; F38-Y492 HydrophobicContact CD2-CE1 3.2Å; F38-Y492 AromaticContact CD2-CZ 3.99Å; F38-Y492 AromaticContact CE1-CD1 3.7Å; F38-Y492 HydrophobicContact CE1-CD1 3.7Å; F38-Y492 HydrophobicContact CE1-CE1 4.19Å; F38-Y492 HydrophobicContact CE1-CG 4.29Å; F38-Y492 HydrophobicContact CE2-CD1 4.2Å; F38-Y492 AromaticContact CE2-CE1 3.85Å; F38-Y492 HydrophobicContact CE2-CE1 3.85Å; F38-Y492 AromaticContact CG-CD1 3.23Å; F38-Y492 HydrophobicContact CG-CD1 3.23Å; F38-Y492 AromaticContact CG-CE1 3.12Å; F38-Y492 HydrophobicContact CG-CE1 3.12Å; F38-Y492 HydrophobicContact CG-CG 4.45Å; F38-Y492 HydrophobicContact CZ-CD1 4.19Å; F38-Y492 HydrophobicContact CZ-CE1 4.3Å; A490-Y492 HydrophobicContact CB-CD1 3.47Å; A490-Y492 VanDerWaalsContact CB-CD1 3.47Å; A490-Y492 HydrophobicContact CB-CE1 3.14Å; A490-Y492 HydrophobicContact CB-CG 4.38Å; A490-Y492 PolarHBondContact O-N 2.94Å
493D75.7Confident75Confident4 Ų449.9 Ų49.92%0.02127%0.268CS..G310 helixtrans-80.5-3.4168.2-56.1-40.6000110.9Q35 L448 M477 A478 A490 Y495Q35-D493 PolarHBondContact NE2-OD2 3.47Å; L448-D493 HydrophobicContact CD1-CB 4.25Å; M477-D493 PolarHBondContact N-O 3.08Å; M477-D493 VanDerWaalsContact N-O 3.08Å; A478-D493 HydrophobicContact CB-CB 4.09Å; A490-D493 WeakPolarHBondContact CB-OD2 3.28Å; A490-D493 PolarHBondContact N-OD2 2.76Å; A490-D493 VanDerWaalsContact N-OD2 3.09Å; A490-D493 WeakPolarHBondContact O-CB 3.27Å; A490-D493 PolarHBondContact O-N 3.03Å; D493-Y495 WeakPolarHBondContact O-CD2 3.33Å; D493-Y495 WeakPolarHBondContact O-CE2 3.26Å
494K86.5Confident76.6Confident81 Ų8144.9 Ų44.935%0.35225%0.252SS..EExtended strand (participates in β ladder)trans-91.8142.2173.5-57.4-174.5176.7-174.90111.6L475 W491 N552L475-K494 CarbonylContact O-C 3.54Å; L475-K494 VanDerWaalsContact O-CA 3.32Å; L475-K494 WeakPolarHBondContact O-CA 3.42Å; W491-K494 WeakPolarHBondContact O-CB 3.29Å; W491-K494 PolarHBondContact O-N 3.24Å; K494-N552 PolarHBondContact O-N 2.99Å; K494-N552 PolarHBondContact O-OD1 3.39Å
495Y92.9Very high78.3Confident0 Ų040.7 Ų40.70%024%0.242CC..EExtended strand (participates in β ladder)trans-131.6147-176.9-67.6-108.6000111.9L448 P449 L452 E474 L475 M477 D493 H550 K551 N552L448-Y495 WeakPolarHBondContact CB-OH 3.46Å; L448-Y495 HydrophobicContact CD1-CE2 4.3Å; L448-Y495 HydrophobicContact CD2-CE2 4.39Å; P449-Y495 WeakPolarHBondContact O-CE1 3.41Å; P449-Y495 PolarHBondContact O-OH 3.43Å; L452-Y495 HydrophobicContact CB-CD1 4.44Å; L452-Y495 HydrophobicContact CB-CE1 4.36Å; L452-Y495 HydrophobicContact CD1-CD1 3.71Å; L452-Y495 HydrophobicContact CD1-CD2 3.8Å; L452-Y495 HydrophobicContact CD1-CE1 3.51Å; L452-Y495 HydrophobicContact CD1-CE2 3.61Å; L452-Y495 HydrophobicContact CD1-CG 3.88Å; L452-Y495 VanDerWaalsContact CD1-CZ 3.46Å; L452-Y495 HydrophobicContact CG-CD1 4.11Å; L452-Y495 HydrophobicContact CG-CE1 3.66Å; E474-Y495 CarbonylContact C-O 3.23Å; E474-Y495 VanDerWaalsContact CA-O 3.31Å; E474-Y495 WeakPolarHBondContact CA-O 3.38Å; L475-Y495 PolarHBondContact N-O 3.01Å; L475-Y495 PolarHBondContact O-N 3.33Å; M477-Y495 HydrophobicContact CB-CE2 4.29Å; M477-Y495 HydrophobicContact CG-CD2 4.04Å; M477-Y495 HydrophobicContact CG-CE2 4.06Å; D493-Y495 WeakPolarHBondContact O-CD2 3.33Å; D493-Y495 WeakPolarHBondContact O-CE2 3.26Å; Y495-H550 CarbonylContact C-O 3.59Å; Y495-H550 VanDerWaalsContact CA-O 3.22Å; Y495-H550 WeakPolarHBondContact CA-O 3.11Å; Y495-H550 WeakPolarHBondContact CB-O 3.05Å; Y495-K551 HydrophobicContact CD1-CG 4.04Å; Y495-K551 HydrophobicContact CE1-CB 4.4Å; Y495-K551 HydrophobicContact CE1-CG 3.45Å; Y495-K551 VanDerWaalsContact CE1-CG 3.45Å; Y495-K551 HydrophobicContact CE2-CG 4.22Å; Y495-K551 WeakPolarHBondContact OH-CE 3Å; Y495-N552 WeakPolarHBondContact CA-OD1 3.4Å; Y495-N552 PolarHBondContact N-OD1 3.25Å
496S92.8Very high80.1Confident4 Ų439.9 Ų39.93%0.02823%0.228CC..EExtended strand (participates in β ladder)trans-107134.7173.3-61.80000110.2V473 E474 Y498 Y549 H550 N552V473-S496 CarbonylContact O-C 3.5Å; V473-S496 WeakPolarHBondContact O-CA 3.47Å; E474-S496 WeakPolarHBondContact OE1-CB 3.26Å; E474-S496 PolarHBondContact OE1-OG 3.42Å; E474-S496 PolarHBondContact OE2-OG 3.46Å; S496-Y498 PolarHBondContact O-N 2.8Å; S496-Y549 CarbonylContact O-C 3.58Å; S496-Y549 VanDerWaalsContact O-CA 3.3Å; S496-Y549 WeakPolarHBondContact O-CA 3.5Å; S496-H550 PolarHBondContact N-O 3.33Å; S496-H550 PolarHBondContact O-N 3.37Å; S496-N552 PolarHBondContact N-OD1 3.21Å; S496-N552 PolarHBondContact OG-OD1 3.18Å
497L96.5Very high81.1Confident0 Ų038.9 Ų38.90%021%0.21CC..EExtended strand (participates in β ladder)trans-63.6132.7170.7-172.971.4000109.1F471 V473 V500 R517 W523 L547 Y549F471-L497 HydrophobicContact CD2-CD2 3.78Å; F471-L497 HydrophobicContact CE2-CD2 3.65Å; V473-L497 WeakPolarHBondContact O-CB 3.17Å; V473-L497 PolarHBondContact O-N 3.45Å; L497-V500 HydrophobicContact CD1-CG2 3.97Å; L497-V500 HydrophobicContact CD2-CG2 3.65Å; L497-V500 HydrophobicContact CG-CG2 4.07Å; L497-R517 WeakPolarHBondContact O-CD 3.49Å; L497-W523 HydrophobicContact CB-CH2 4.33Å; L497-W523 HydrophobicContact CD2-CH2 4.02Å; L497-W523 HydrophobicContact CG-CH2 3.91Å; L497-W523 WeakPolarHBondContact O-CH2 3.26Å; L497-W523 WeakPolarHBondContact O-CZ2 3.36Å; L497-L547 HydrophobicContact CD1-CB 4.33Å; L497-L547 HydrophobicContact CD1-CD2 3.98Å; L497-Y549 VanDerWaalsContact CA-CD1 3.5Å; L497-Y549 HydrophobicContact CB-CD1 3.9Å; L497-Y549 HydrophobicContact CB-CE1 3.54Å; L497-Y549 HydrophobicContact CD1-CD1 4.31Å; L497-Y549 HydrophobicContact CD1-CD2 3.92Å; L497-Y549 HydrophobicContact CD1-CE1 3.9Å; L497-Y549 HydrophobicContact CD1-CE2 3.51Å; L497-Y549 HydrophobicContact CD1-CG 4.29Å; L497-Y549 VanDerWaalsContact CD1-CZ 3.46Å; L497-Y549 HydrophobicContact CG-CE1 4.29Å
498Y95.4Very high82.1Confident0 Ų037.1 Ų37.10%020%0.201CC..EExtended strand (participates in β ladder)trans-133.5-18.8174.679.2-80.4000114.2T193 V451 S496 I516 R517 L548 H550T193-Y498 PolarHBondContact OG1-OH 2.8Å; V451-Y498 HydrophobicContact CG1-CE1 3.99Å; V451-Y498 WeakPolarHBondContact CG1-OH 3.46Å; S496-Y498 PolarHBondContact O-N 2.8Å; Y498-I516 CarbonylContact O-C 3.58Å; Y498-I516 WeakPolarHBondContact O-CA 3.5Å; Y498-R517 PolarHBondContact O-N 3.27Å; Y498-L548 HydrophobicContact CD1-CB 4.24Å; Y498-L548 WeakPolarHBondContact CD1-O 3.18Å; Y498-L548 HydrophobicContact CE1-CB 3.46Å; Y498-L548 VanDerWaalsContact CE1-CB 3.46Å; Y498-L548 PolarHBondContact N-O 2.87Å; Y498-L548 VanDerWaalsContact N-O 3.08Å; Y498-L548 WeakPolarHBondContact OH-CD2 3.41Å; Y498-H550 VanDerWaalsContact CB-CD2 3.49Å; Y498-H550 WeakPolarHBondContact CB-CD2 3.33Å; Y498-H550 HydrophobicContact CD1-CB 4.17Å; Y498-H550 AromaticContact CD1-CD2 3.46Å; Y498-H550 VanDerWaalsContact CD1-CD2 3.46Å; Y498-H550 WeakPolarHBondContact CD1-CD2 2.99Å; Y498-H550 HydrophobicContact CE1-CB 4.32Å; Y498-H550 AromaticContact CG-CD2 3.59Å
499A97.5Very high83.2Confident0 Ų034 Ų340%019%0.192CC..EExtended strand (participates in β ladder)trans-141.2137.1172.400000112.1A189 Y515 I516 L548A189-A499 HydrophobicContact CB-CB 4.01Å; A499-Y515 CarbonylContact C-O 3.5Å; A499-Y515 VanDerWaalsContact CA-O 3.25Å; A499-Y515 WeakPolarHBondContact CA-O 3.5Å; A499-I516 HydrophobicContact CB-CD1 3.64Å; A499-L548 HydrophobicContact CB-CB 4.16Å; A499-L548 HydrophobicContact CB-CD1 3.93Å; A499-L548 PolarHBondContact N-O 3.16Å; A499-L548 PolarHBondContact O-N 2.72Å
500V98.4Very high84.7Confident0 Ų032.9 Ų32.90%019%0.187CC..EExtended strand (participates in β ladder)trans-125.3113.2172.2-175.30000107.6F471 L497 N502 A514 Y515 V539 T542 A544 L547F471-V500 HydrophobicContact CE2-CG2 3.89Å; F471-V500 HydrophobicContact CZ-CG1 4.15Å; F471-V500 HydrophobicContact CZ-CG2 4.2Å; L497-V500 HydrophobicContact CD1-CG2 3.97Å; L497-V500 HydrophobicContact CD2-CG2 3.65Å; L497-V500 HydrophobicContact CG-CG2 4.07Å; V500-N502 WeakPolarHBondContact CG1-OD1 3.45Å; V500-A514 CarbonylContact O-C 2.84Å; V500-A514 WeakPolarHBondContact O-CA 3.39Å; V500-Y515 HydrophobicContact CB-CD2 4.41Å; V500-Y515 PolarHBondContact N-O 3.29Å; V500-Y515 PolarHBondContact O-N 3.33Å; V500-V539 HydrophobicContact CB-CG1 4.49Å; V500-V539 HydrophobicContact CG2-CG1 3.76Å; V500-T542 HydrophobicContact CG1-CG2 3.79Å; V500-A544 HydrophobicContact CG1-CB 3.61Å; V500-L547 HydrophobicContact CB-CD2 4.3Å; V500-L547 HydrophobicContact CG1-CD2 3.84Å; V500-L547 HydrophobicContact CG2-CD2 3.86Å
501L97.8Very high86.1Confident0 Ų035.4 Ų35.40%020%0.199CC..EExtended strand (participates in β ladder)trans-90.9128172.3-45.7-170.2000108.1V185 V186 A189 A514 Y545 V546 L548V185-L501 HydrophobicContact CB-CD2 4.06Å; V185-L501 HydrophobicContact CG2-CD1 4.22Å; V186-L501 HydrophobicContact CG2-CD1 4.22Å; A189-L501 HydrophobicContact CB-CD2 4.01Å; L501-A514 HydrophobicContact CD2-CB 3.69Å; L501-Y545 WeakPolarHBondContact O-CA 3.46Å; L501-Y545 VanDerWaalsContact O-CB 3.25Å; L501-Y545 WeakPolarHBondContact O-CB 3.25Å; L501-Y545 PolarHBondContact O-N 3.27Å; L501-V546 HydrophobicContact CB-CB 3.98Å; L501-V546 HydrophobicContact CD1-CB 4.02Å; L501-V546 HydrophobicContact CD1-CG1 4.37Å; L501-V546 HydrophobicContact CD1-CG2 4.43Å; L501-V546 HydrophobicContact CG-CB 4.03Å; L501-V546 PolarHBondContact N-O 2.85Å; L501-V546 PolarHBondContact O-N 2.88Å; L501-V546 VanDerWaalsContact O-N 3.08Å; L501-L548 HydrophobicContact CD1-CD1 4.42Å; L501-L548 HydrophobicContact CG-CD1 4.13Å
502N95.2Very high87.7Confident8 Ų833.4 Ų33.44%0.04319%0.192CC..EExtended strand (participates in β ladder)trans-108150.8178.3-54.1-45.5000109.7V500 Y512 T513 Y515 T542V500-N502 WeakPolarHBondContact CG1-OD1 3.45Å; N502-Y512 VanDerWaalsContact O-CA 3.29Å; N502-Y512 WeakPolarHBondContact O-CA 3.15Å; N502-Y512 WeakPolarHBondContact O-CD1 3.25Å; N502-T513 PolarHBondContact N-O 2.84Å; N502-T513 PolarHBondContact ND2-OG1 2.84Å; N502-T513 PolarHBondContact O-N 3Å; N502-Y515 VanDerWaalsContact ND2-CD2 3.26Å; N502-Y515 WeakPolarHBondContact ND2-CD2 3.28Å; N502-Y515 WeakPolarHBondContact ND2-CE2 3.35Å; N502-T542 PolarHBondContact ND2-OG1 3.35Å; N502-T542 WeakPolarHBondContact OD1-CG2 3.09Å; N502-T542 PolarHBondContact OD1-OG1 2.85Å
503H92.3Very high89.1Confident16 Ų1633 Ų337%0.07419%0.193CC..EExtended strand (participates in β ladder)trans-129.9118.7171.5-178.5-132.8000109.4K464 Q506 Y512 Y545K464-H503 PolarHBondContact NZ-ND1 2.77Å; K464-H503 PolarHBondContact NZ-O 3.27Å; H503-Q506 PolarHBondContact CE1-O 2.99Å; H503-Y512 HydrophobicContact CB-CD1 3.86Å; H503-Y512 HydrophobicContact CB-CE1 3.56Å; H503-Y512 AromaticContact CD2-CD1 3.88Å; H503-Y512 AromaticContact CD2-CD2 3.92Å; H503-Y512 AromaticContact CD2-CE1 3.54Å; H503-Y512 AromaticContact CD2-CE2 3.58Å; H503-Y512 AromaticContact CD2-CZ 3.37Å; H503-Y512 AromaticContact CG-CE1 3.63Å; H503-Y512 AromaticContact CG-CZ 3.78Å; H503-Y512 AromaticContact NE2-CE2 3.9Å; H503-Y512 AromaticContact NE2-CZ 3.84Å; H503-Y545 HydrophobicContact CB-CD1 4.22Å; H503-Y545 HydrophobicContact CB-CD2 4.09Å; H503-Y545 HydrophobicContact CB-CG 3.83Å
504S89.7Confident90.2Very high65 Ų6532.9 Ų32.946%0.45519%0.192SC..EExtended strand (participates in β ladder)trans-102.4152.7171.464.70000110.1G510 H511S504-G510 CarbonylContact O-C 3.54Å; S504-G510 WeakPolarHBondContact O-CA 3.39Å; S504-H511 PolarHBondContact N-O 2.79Å; S504-H511 PolarHBondContact O-N 3.39Å; S504-H511 PolarHBondContact OG-O 3.43Å
505G86Confident90.7Very high47 Ų4730.2 Ų30.249%0.48518%0.18SC..EExtended strand (participates in β ladder)trans101.7-164.9-176.700000114.1K464 S509K464-G505 WeakPolarHBondContact CD-O 3.48Å; K464-G505 WeakPolarHBondContact CE-O 3.49Å; K464-G505 PolarHBondContact NZ-O 3.13Å; G505-S509 CarbonylContact C-O 3.57Å; G505-S509 WeakPolarHBondContact CA-O 3.13Å
506Q81Confident90.8Very high133 Ų13330.2 Ų30.262%0.62118%0.18SC*.  trans-88.4-176179.9-58.3-1781600111.8H503 S509H503-Q506 PolarHBondContact CE1-O 2.99Å; Q506-S509 CarbonylContact C-O 3.56Å; Q506-S509 WeakPolarHBondContact CA-O 3.35Å; Q506-S509 PolarHBondContact N-O 2.8Å; Q506-S509 VanDerWaalsContact O-O 3.13Å
507T71.1Confident90.7Very high39 Ų3931.6 Ų31.624%0.23918%0.184CC..SBendtrans-64.8-42.4178.947.90000112.5C459 D462 K464C459-T507 HydrophobicContact CB-CG2 4.43Å; C459-T507 WeakPolarHBondContact SG-CG2 3.37Å; D462-T507 WeakPolarHBondContact O-CG2 3.43Å; D462-T507 PolarHBondContact O-OG1 3.26Å; K464-T507 HydrophobicContact CB-CG2 3.99Å
508N70.7Confident90.1Very high135 Ų13532.3 Ų32.372%0.72219%0.189SC*.SBendtrans-104.4-2.1-176.3-61.1-15.5000113.9
509S78.6Confident89.3Confident56 Ų5632.4 Ų32.439%0.39219%0.19SC..SBendtrans-145.2125177.361.80000111.2G505 Q506G505-S509 CarbonylContact C-O 3.57Å; G505-S509 WeakPolarHBondContact CA-O 3.13Å; Q506-S509 CarbonylContact C-O 3.56Å; Q506-S509 WeakPolarHBondContact CA-O 3.35Å; Q506-S509 PolarHBondContact N-O 2.8Å; Q506-S509 VanDerWaalsContact O-O 3.13Å
510G86.6Confident88.3Confident17 Ų1735.6 Ų35.618%0.17521%0.21CC..EExtended strand (participates in β ladder)trans-172.7-176.7-17900000115.3S504S504-G510 CarbonylContact O-C 3.54Å; S504-G510 WeakPolarHBondContact O-CA 3.39Å
511H93.7Very high87.4Confident54 Ų5441 Ų4125%0.2524%0.243CC..EExtended strand (participates in β ladder)trans-134.1131.3179.5-176.354.4000110.5S504 D527 D528S504-H511 PolarHBondContact N-O 2.79Å; S504-H511 PolarHBondContact O-N 3.39Å; S504-H511 PolarHBondContact OG-O 3.43Å; H511-D527 IonicContact CD2-OD1 3.6Å; H511-D527 IonicContact CE1-OD1 2.96Å; H511-D527 PolarHBondContact CE1-OD1 3.3Å; H511-D527 IonicContact NE2-OD1 3.41Å; H511-D527 PolarHBondContact NE2-OD1 3.38Å; H511-D528 IonicContact CE1-OD2 3.58Å; H511-D528 PolarHBondContact CE1-OD2 2.97Å
512Y95.5Very high86.7Confident11 Ų1141.7 Ų41.74%0.04325%0.248CC..EExtended strand (participates in β ladder)trans-101.3135.4-179.1-71.3-85.3000111.1F182 V185 A260 N502 H503 Y545F182-Y512 HydrophobicContact CB-CD2 3.78Å; F182-Y512 HydrophobicContact CB-CE2 3.87Å; F182-Y512 HydrophobicContact CB-CG 4.47Å; V185-Y512 HydrophobicContact CG2-CD1 4.4Å; V185-Y512 HydrophobicContact CG2-CG 4.3Å; A260-Y512 HydrophobicContact CB-CD1 3.61Å; A260-Y512 HydrophobicContact CB-CD2 4.45Å; A260-Y512 HydrophobicContact CB-CE1 3.35Å; A260-Y512 HydrophobicContact CB-CE2 4.24Å; A260-Y512 HydrophobicContact CB-CG 4.16Å; A260-Y512 PolarHBondContact N-OH 2.96Å; N502-Y512 VanDerWaalsContact O-CA 3.29Å; N502-Y512 WeakPolarHBondContact O-CA 3.15Å; N502-Y512 WeakPolarHBondContact O-CD1 3.25Å; H503-Y512 HydrophobicContact CB-CD1 3.86Å; H503-Y512 HydrophobicContact CB-CE1 3.56Å; H503-Y512 AromaticContact CD2-CD1 3.88Å; H503-Y512 AromaticContact CD2-CD2 3.92Å; H503-Y512 AromaticContact CD2-CE1 3.54Å; H503-Y512 AromaticContact CD2-CE2 3.58Å; H503-Y512 AromaticContact CD2-CZ 3.37Å; H503-Y512 AromaticContact CG-CE1 3.63Å; H503-Y512 AromaticContact CG-CZ 3.78Å; H503-Y512 AromaticContact NE2-CE2 3.9Å; H503-Y512 AromaticContact NE2-CZ 3.84Å; Y512-Y545 AromaticContact CE1-CD1 3.75Å; Y512-Y545 HydrophobicContact CE1-CD1 3.75Å; Y512-Y545 AromaticContact CE1-CE1 3.83Å; Y512-Y545 HydrophobicContact CE1-CE1 3.83Å
513T97.2Very high86.6Confident24 Ų2441.6 Ų41.615%0.14725%0.247CC..EExtended strand (participates in β ladder)trans-131157.7170.363.10000110N502 C526 D527N502-T513 PolarHBondContact N-O 2.84Å; N502-T513 PolarHBondContact ND2-OG1 2.84Å; N502-T513 PolarHBondContact O-N 3Å; T513-C526 WeakPolarHBondContact CA-O 3.46Å; T513-D527 HydrophobicContact CG2-CB 4.08Å
514A97.7Very high86.6Confident0 Ų040.8 Ų40.80%024%0.244CC..EExtended strand (participates in β ladder)trans-127.3129.1179.800000111.4V185 V500 L501 I516 C526V185-A514 HydrophobicContact CB-CB 3.92Å; V185-A514 HydrophobicContact CG1-CB 3.92Å; V500-A514 CarbonylContact O-C 2.84Å; V500-A514 WeakPolarHBondContact O-CA 3.39Å; L501-A514 HydrophobicContact CD2-CB 3.69Å; A514-I516 HydrophobicContact CB-CD1 4.1Å; A514-I516 HydrophobicContact CB-CG1 4.26Å; A514-C526 HydrophobicContact CB-CB 4.28Å; A514-C526 PolarHBondContact N-O 2.85Å; A514-C526 WeakPolarHBondContact O-CB 3.15Å; A514-C526 PolarHBondContact O-N 3.08Å
515Y97.4Very high86.8Confident26 Ų2639.7 Ų39.710%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-88.6129.1160.3-67.5-71.5000109.4A499 V500 N502 C524 L525 V534 V539 T542A499-Y515 CarbonylContact C-O 3.5Å; A499-Y515 VanDerWaalsContact CA-O 3.25Å; A499-Y515 WeakPolarHBondContact CA-O 3.5Å; V500-Y515 HydrophobicContact CB-CD2 4.41Å; V500-Y515 PolarHBondContact N-O 3.29Å; V500-Y515 PolarHBondContact O-N 3.33Å; N502-Y515 VanDerWaalsContact ND2-CD2 3.26Å; N502-Y515 WeakPolarHBondContact ND2-CD2 3.28Å; N502-Y515 WeakPolarHBondContact ND2-CE2 3.35Å; Y515-C524 CarbonylContact C-O 3.53Å; Y515-C524 VanDerWaalsContact CA-O 3.26Å; Y515-C524 WeakPolarHBondContact CA-O 3.48Å; Y515-L525 HydrophobicContact CD1-CB 3.89Å; Y515-L525 HydrophobicContact CD1-CD1 3.93Å; Y515-L525 HydrophobicContact CD1-CG 4.47Å; Y515-L525 HydrophobicContact CE1-CB 3.67Å; Y515-L525 HydrophobicContact CE1-CD1 3.66Å; Y515-L525 HydrophobicContact CE1-CD2 4.28Å; Y515-L525 HydrophobicContact CE1-CG 4.06Å; Y515-L525 HydrophobicContact CE2-CD1 4.38Å; Y515-L525 HydrophobicContact CG-CD1 4.42Å; Y515-V534 HydrophobicContact CD1-CG2 3.71Å; Y515-V534 HydrophobicContact CE1-CB 4.36Å; Y515-V534 HydrophobicContact CE1-CG1 4.2Å; Y515-V534 HydrophobicContact CE1-CG2 3.78Å; Y515-V539 HydrophobicContact CD1-CG2 3.79Å; Y515-V539 HydrophobicContact CD2-CG1 4.27Å; Y515-V539 HydrophobicContact CE1-CG2 4.32Å; Y515-V539 HydrophobicContact CG-CB 4.33Å; Y515-V539 HydrophobicContact CG-CG1 4.13Å; Y515-V539 HydrophobicContact CG-CG2 3.88Å; Y515-T542 HydrophobicContact CD2-CG2 4.14Å; Y515-T542 HydrophobicContact CE2-CG2 3.96Å
516I94.9Very high87.3Confident0 Ų037.6 Ų37.60%021%0.211CC..EExtended strand (participates in β ladder)trans-126132.2-178.6-54.8-65.1000109.3M171 Q188 A189 H192 Y498 A499 A514 V518 W523 C524M171-I516 HydrophobicContact CE-CB 4.23Å; M171-I516 HydrophobicContact CE-CG1 4Å; M171-I516 HydrophobicContact CE-CG2 4.25Å; Q188-I516 HydrophobicContact CB-CD1 4.27Å; Q188-I516 HydrophobicContact CB-CG1 4.2Å; A189-I516 HydrophobicContact CB-CD1 4.31Å; H192-I516 HydrophobicContact CB-CG2 3.59Å; Y498-I516 CarbonylContact O-C 3.58Å; Y498-I516 WeakPolarHBondContact O-CA 3.5Å; A499-I516 HydrophobicContact CB-CD1 3.64Å; A514-I516 HydrophobicContact CB-CD1 4.1Å; A514-I516 HydrophobicContact CB-CG1 4.26Å; I516-V518 HydrophobicContact CG2-CG1 4.2Å; I516-V518 PolarHBondContact O-N 3.42Å; I516-W523 VanDerWaalsContact C-CE3 3.43Å; I516-W523 WeakPolarHBondContact O-CA 3.19Å; I516-C524 PolarHBondContact N-O 2.78Å; I516-C524 PolarHBondContact O-N 3.3Å; I516-C524 PolarHBondContact O-SG 3.34Å
517R91.7Very high88Confident33 Ų3333.9 Ų33.913%0.12520%0.195CC..EExtended strand (participates in β ladder)trans-81.2115.1172-167.3177.5-176.2-172.33108.5L497 Y498 G519 P520 W523 I558L497-R517 WeakPolarHBondContact O-CD 3.49Å; Y498-R517 PolarHBondContact O-N 3.27Å; R517-G519 VanDerWaalsContact CG-O 3.22Å; R517-G519 WeakPolarHBondContact CG-O 3.24Å; R517-G519 PolarHBondContact NE-O 3.36Å; R517-P520 PolarHBondContact NE-O 2.94Å; R517-P520 PolarHBondContact NH2-O 3.39Å; R517-W523 HydrophobicContact CB-CD2 3.91Å; R517-W523 HydrophobicContact CB-CE3 3.92Å; R517-W523 HydrophobicContact CB-CH2 3.7Å; R517-W523 HydrophobicContact CB-CZ2 3.69Å; R517-W523 HydrophobicContact CB-CZ3 3.82Å; R517-W523 HydrophobicContact CG-CD2 4.21Å; R517-W523 HydrophobicContact CG-CH2 4.38Å; R517-W523 HydrophobicContact CG-CZ2 3.86Å; R517-I558 HydrophobicContact CG-CG2 4.4Å
518V84.7Confident89.2Confident15 Ų1533.2 Ų33.29%0.09119%0.19CC..  trans-107.7-8.7-177-64.70000113L162 C167 M171 I516 S522L162-V518 HydrophobicContact CD1-CB 4.16Å; L162-V518 HydrophobicContact CD1-CG1 4.39Å; C167-V518 HydrophobicContact CB-CG2 4.27Å; C167-V518 WeakPolarHBondContact SG-CG2 3.24Å; M171-V518 HydrophobicContact SD-CG1 4Å; I516-V518 HydrophobicContact CG2-CG1 4.2Å; I516-V518 PolarHBondContact O-N 3.42Å; V518-S522 WeakPolarHBondContact CG2-O 3.33Å; V518-S522 PolarHBondContact N-O 3.34Å
519G78.5Confident90.3Very high2 Ų232.7 Ų32.72%0.02118%0.183CC..SBendtrans-156.7176.1174.600000111R517 T521 S522R517-G519 VanDerWaalsContact CG-O 3.22Å; R517-G519 WeakPolarHBondContact CG-O 3.24Å; R517-G519 PolarHBondContact NE-O 3.36Å; G519-T521 PolarHBondContact O-N 3.1Å; G519-T521 VanDerWaalsContact O-N 3.11Å; G519-S522 PolarHBondContact N-O 3Å; G519-S522 PolarHBondContact O-N 3.16Å
520P76.1Confident90.9Very high66 Ų6636.3 Ų36.343%0.42919%0.192SC..SBendtrans-53.8-37-177.5-29.535.6000113.8R517R517-P520 PolarHBondContact NE-O 2.94Å; R517-P520 PolarHBondContact NH2-O 3.39Å
521T78.3Confident91.2Very high113 Ų11337.2 Ų37.269%0.69319%0.194SC*.SBendtrans-125.24.7178.655.90000112.9G519G519-T521 PolarHBondContact O-N 3.1Å; G519-T521 VanDerWaalsContact O-N 3.11Å
522S84.2Confident91.1Very high16 Ų1637.6 Ų37.611%0.11220%0.2CC..  trans-108.8126.2-169.4-570000110.9V164 V518 G519V164-S522 PolarHBondContact O-OG 3.43Å; V164-S522 VanDerWaalsContact O-OG 3.12Å; V518-S522 WeakPolarHBondContact CG2-O 3.33Å; V518-S522 PolarHBondContact N-O 3.34Å; G519-S522 PolarHBondContact N-O 3Å; G519-S522 PolarHBondContact O-N 3.16Å
523W91.8Very high90.8Very high5 Ų539.7 Ų39.72%0.01922%0.216CC..EExtended strand (participates in β ladder)trans-123.7152.5179.9-72.181.9000110.6L497 I516 R517 V534 L536 V539L497-W523 HydrophobicContact CB-CH2 4.33Å; L497-W523 HydrophobicContact CD2-CH2 4.02Å; L497-W523 HydrophobicContact CG-CH2 3.91Å; L497-W523 WeakPolarHBondContact O-CH2 3.26Å; L497-W523 WeakPolarHBondContact O-CZ2 3.36Å; I516-W523 VanDerWaalsContact C-CE3 3.43Å; I516-W523 WeakPolarHBondContact O-CA 3.19Å; R517-W523 HydrophobicContact CB-CD2 3.91Å; R517-W523 HydrophobicContact CB-CE3 3.92Å; R517-W523 HydrophobicContact CB-CH2 3.7Å; R517-W523 HydrophobicContact CB-CZ2 3.69Å; R517-W523 HydrophobicContact CB-CZ3 3.82Å; R517-W523 HydrophobicContact CG-CD2 4.21Å; R517-W523 HydrophobicContact CG-CH2 4.38Å; R517-W523 HydrophobicContact CG-CZ2 3.86Å; W523-V534 HydrophobicContact CB-CG2 3.89Å; W523-V534 PolarHBondContact O-N 3.07Å; W523-L536 HydrophobicContact CZ2-CD1 4.34Å; W523-V539 HydrophobicContact CB-CG2 4.07Å; W523-V539 HydrophobicContact CD2-CG2 3.93Å; W523-V539 HydrophobicContact CE3-CG1 4.09Å; W523-V539 HydrophobicContact CE3-CG2 3.87Å; W523-V539 HydrophobicContact CG-CG2 4.03Å; W523-V539 HydrophobicContact CH2-CG1 4.4Å; W523-V539 HydrophobicContact CZ3-CG1 4.01Å
524C92.4Very high90.6Very high0 Ų039.8 Ų39.80%022%0.217CC..EExtended strand (participates in β ladder)trans-131.6150.1170.463.90000111.2C167 M171 Y515 I516 V531 V532C167-C524 HydrophobicContact CB-CB 4.36Å; M171-C524 PolarHBondContact SD-SG 3.35Å; Y515-C524 CarbonylContact C-O 3.53Å; Y515-C524 VanDerWaalsContact CA-O 3.26Å; Y515-C524 WeakPolarHBondContact CA-O 3.48Å; I516-C524 PolarHBondContact N-O 2.78Å; I516-C524 PolarHBondContact O-N 3.3Å; I516-C524 PolarHBondContact O-SG 3.34Å; C524-V531 HydrophobicContact CB-CG1 3.9Å; C524-V532 CarbonylContact C-O 3.44Å; C524-V532 WeakPolarHBondContact CA-O 3.35Å; C524-V532 WeakPolarHBondContact CB-O 3.5Å
525L95.6Very high90.3Very high41 Ų4143.6 Ų43.622%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-96.1124.4166.6175.159.4000108.6Y515 V531 V532 V534Y515-L525 HydrophobicContact CD1-CB 3.89Å; Y515-L525 HydrophobicContact CD1-CD1 3.93Å; Y515-L525 HydrophobicContact CD1-CG 4.47Å; Y515-L525 HydrophobicContact CE1-CB 3.67Å; Y515-L525 HydrophobicContact CE1-CD1 3.66Å; Y515-L525 HydrophobicContact CE1-CD2 4.28Å; Y515-L525 HydrophobicContact CE1-CG 4.06Å; Y515-L525 HydrophobicContact CE2-CD1 4.38Å; Y515-L525 HydrophobicContact CG-CD1 4.42Å; L525-V531 CarbonylContact O-C 3.56Å; L525-V531 VanDerWaalsContact O-CA 3.29Å; L525-V531 WeakPolarHBondContact O-CA 3.5Å; L525-V532 PolarHBondContact N-O 2.86Å; L525-V532 PolarHBondContact O-N 3.44Å; L525-V534 HydrophobicContact CB-CG1 3.77Å
526C95Very high90.1Very high4 Ų445.4 Ų45.43%0.02725%0.248CC..EExtended strand (participates in β ladder)trans-105.1109.3175-54.30000109M171 Q188 T513 A514M171-C526 WeakPolarHBondContact CE-SG 3.46Å; M171-C526 VanDerWaalsContact SD-SG 3.67Å; Q188-C526 HydrophobicContact CG-CB 4.09Å; T513-C526 WeakPolarHBondContact CA-O 3.46Å; A514-C526 HydrophobicContact CB-CB 4.28Å; A514-C526 PolarHBondContact N-O 2.85Å; A514-C526 WeakPolarHBondContact O-CB 3.15Å; A514-C526 PolarHBondContact O-N 3.08Å
527D95.7Very high90.1Very high55 Ų5550 Ų5029%0.29427%0.272SS..EExtended strand (participates in β ladder)trans-123.487.3178.3-179.511.2000108.1H511 T513 Q529 K530H511-D527 IonicContact CD2-OD1 3.6Å; H511-D527 IonicContact CE1-OD1 2.96Å; H511-D527 PolarHBondContact CE1-OD1 3.3Å; H511-D527 IonicContact NE2-OD1 3.41Å; H511-D527 PolarHBondContact NE2-OD1 3.38Å; T513-D527 HydrophobicContact CG2-CB 4.08Å; D527-Q529 PolarHBondContact O-N 3Å; D527-Q529 VanDerWaalsContact O-N 3.08Å; D527-K530 PolarHBondContact N-O 3.19Å; D527-K530 WeakPolarHBondContact O-CB 3.18Å; D527-K530 PolarHBondContact O-N 3.3Å
528D95.9Very high90.2Very high24 Ų2451.5 Ų51.513%0.12828%0.283CS..THydrogen-bonded Turntrans47.3-115.9-170.5-67-35000111.4G173 L174 N176 C181 N184 H511 K530G173-D528 CarbonylContact C-O 3.55Å; G173-D528 VanDerWaalsContact CA-O 3.28Å; G173-D528 WeakPolarHBondContact CA-O 3.23Å; L174-D528 PolarHBondContact N-O 3.5Å; L174-D528 CarbonylContact O-C 3.52Å; L174-D528 WeakPolarHBondContact O-CA 3.38Å; L174-D528 WeakPolarHBondContact O-CB 3.44Å; N176-D528 HydrophobicContact CB-CB 4.21Å; N176-D528 WeakPolarHBondContact CB-OD2 3.35Å; N176-D528 PolarHBondContact ND2-OD2 3.46Å; C181-D528 WeakPolarHBondContact CB-OD1 3.2Å; N184-D528 PolarHBondContact ND2-OD1 2.7Å; H511-D528 IonicContact CE1-OD2 3.58Å; H511-D528 PolarHBondContact CE1-OD2 2.97Å; D528-K530 PolarHBondContact O-N 2.81Å
529Q94.3Very high90.7Very high125 Ų12550.8 Ų50.858%0.58428%0.279SS*.THydrogen-bonded Turntrans-73.6-14.2-177.565.1-177.81200113.4L174 P235 D527L174-Q529 PolarHBondContact O-N 2.97Å; P235-Q529 HydrophobicContact CB-CB 3.88Å; P235-Q529 HydrophobicContact CG-CB 3.78Å; D527-Q529 PolarHBondContact O-N 3Å; D527-Q529 VanDerWaalsContact O-N 3.08Å
530K92.6Very high91.5Very high132 Ų13253.1 Ų53.157%0.57429%0.291SS*.EExtended strand (participates in β ladder)trans-99.9115.4-175.1-175.2-177.8176.1-172.90109.6D527 D528 V532D527-K530 PolarHBondContact N-O 3.19Å; D527-K530 WeakPolarHBondContact O-CB 3.18Å; D527-K530 PolarHBondContact O-N 3.3Å; D528-K530 PolarHBondContact O-N 2.81Å; K530-V532 HydrophobicContact CD-CG2 4.31Å; K530-V532 HydrophobicContact CG-CG2 3.86Å
531V92.3Very high92.2Very high35 Ų3556.7 Ų56.721%0.21230%0.301CS..EExtended strand (participates in β ladder)trans-114.8126.4172.5-175.10000108.9M171 C524 L525M171-V531 HydrophobicContact CB-CG1 4.11Å; M171-V531 HydrophobicContact CG-CG1 4.24Å; M171-V531 HydrophobicContact SD-CG1 4.24Å; C524-V531 HydrophobicContact CB-CG1 3.9Å; L525-V531 CarbonylContact O-C 3.56Å; L525-V531 VanDerWaalsContact O-CA 3.29Å; L525-V531 WeakPolarHBondContact O-CA 3.5Å
532V91.2Very high92.8Very high63 Ų6352.3 Ų52.338%0.38227%0.274SS..EExtended strand (participates in β ladder)trans-132.1138.6-176.1-174.30000110.1C524 L525 K530C524-V532 CarbonylContact C-O 3.44Å; C524-V532 WeakPolarHBondContact CA-O 3.35Å; C524-V532 WeakPolarHBondContact CB-O 3.5Å; L525-V532 PolarHBondContact N-O 2.86Å; L525-V532 PolarHBondContact O-N 3.44Å; K530-V532 HydrophobicContact CD-CG2 4.31Å; K530-V532 HydrophobicContact CG-CG2 3.86Å
533S90Very high92.9Very high55 Ų5555.4 Ų55.439%0.38529%0.289SS..EExtended strand (participates in β ladder)trans-65.8133.2171.3-162.50000110.4
534V92.5Very high93Very high26 Ų2655.1 Ų55.116%0.15829%0.289CS..EExtended strand (participates in β ladder)trans-130.3163.2177.9-63.30000110.4Y515 W523 L525 D538 V539Y515-V534 HydrophobicContact CD1-CG2 3.71Å; Y515-V534 HydrophobicContact CE1-CB 4.36Å; Y515-V534 HydrophobicContact CE1-CG1 4.2Å; Y515-V534 HydrophobicContact CE1-CG2 3.78Å; W523-V534 HydrophobicContact CB-CG2 3.89Å; W523-V534 PolarHBondContact O-N 3.07Å; L525-V534 HydrophobicContact CB-CG1 3.77Å; V534-D538 HydrophobicContact CB-CB 4.32Å; V534-V539 HydrophobicContact CG2-CG2 4.08Å
535N92.2Very high93.1Very high80 Ų8055.7 Ų55.743%0.42829%0.291SS..  trans-88.3161.6173.468.955.1000109.9N537 D538N535-N537 PolarHBondContact O-N 2.67Å; N535-N537 VanDerWaalsContact OD1-CA 3.25Å; N535-N537 WeakPolarHBondContact OD1-CA 3.49Å; N535-N537 WeakPolarHBondContact OD1-CB 3.34Å; N535-N537 PolarHBondContact OD1-N 3.46Å; N535-D538 VanDerWaalsContact CG-CG 3.45Å; N535-D538 PolarHBondContact N-OD2 3.06Å; N535-D538 VanDerWaalsContact ND2-CG 3.34Å; N535-D538 PolarHBondContact ND2-OD1 3.33Å; N535-D538 PolarHBondContact ND2-OD2 2.78Å; N535-D538 PolarHBondContact O-N 2.91Å; N535-D538 PolarHBondContact OD1-N 2.77Å; N535-D538 PolarHBondContact OD1-OD1 3.28Å; N535-D538 PolarHBondContact OD1-OD2 3.17Å
536L93.1Very high93.2Very high64 Ų6453.7 Ų53.734%0.33528%0.28SS..Hα-helixtrans-60.1-31.4177.3174.663000112.7V473 W523 D538 V539 L540V473-L536 HydrophobicContact CG2-CD1 3.65Å; V473-L536 HydrophobicContact CG2-CD2 3.9Å; V473-L536 HydrophobicContact CG2-CG 4.25Å; W523-L536 HydrophobicContact CZ2-CD1 4.34Å; L536-D538 VanDerWaalsContact C-N 3.33Å; L536-D538 PolarHBondContact O-N 2.82Å; L536-V539 WeakPolarHBondContact O-CB 3.39Å; L536-V539 PolarHBondContact O-N 3.09Å; L536-L540 HydrophobicContact CD1-CD1 4.27Å; L536-L540 HydrophobicContact CD1-CD2 4.43Å; L536-L540 HydrophobicContact CD1-CG 4.07Å; L536-L540 HydrophobicContact CD2-CD1 4.45Å; L536-L540 HydrophobicContact CG-CD1 4Å; L536-L540 HydrophobicContact CG-CG 4.23Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.15Å
537N94.2Very high93.4Very high95 Ų9553.5 Ų53.551%0.50828%0.279SS..Hα-helixtrans-64.4-37.9-179.7-168.567.4000111.9N535 V539 L540 H541N535-N537 PolarHBondContact O-N 2.67Å; N535-N537 VanDerWaalsContact OD1-CA 3.25Å; N535-N537 WeakPolarHBondContact OD1-CA 3.49Å; N535-N537 WeakPolarHBondContact OD1-CB 3.34Å; N535-N537 PolarHBondContact OD1-N 3.46Å; N537-V539 VanDerWaalsContact C-N 3.29Å; N537-V539 PolarHBondContact O-N 3.44Å; N537-L540 PolarHBondContact O-N 3.08Å; N537-H541 PolarHBondContact O-N 3.07Å; N537-H541 VanDerWaalsContact O-N 3.16Å; N537-H541 PolarHBondContact O-ND1 3.28Å; N537-H541 PolarHBondContact OD1-CE1 3.22Å; N537-H541 PolarHBondContact OD1-ND1 2.79Å
538D93.5Very high93.5Very high65 Ų6550.9 Ų50.935%0.34827%0.265SS..Hα-helixtrans-63.3-38175-54.1-34.9000111V534 N535 L536V534-D538 HydrophobicContact CB-CB 4.32Å; N535-D538 VanDerWaalsContact CG-CG 3.45Å; N535-D538 PolarHBondContact N-OD2 3.06Å; N535-D538 VanDerWaalsContact ND2-CG 3.34Å; N535-D538 PolarHBondContact ND2-OD1 3.33Å; N535-D538 PolarHBondContact ND2-OD2 2.78Å; N535-D538 PolarHBondContact O-N 2.91Å; N535-D538 PolarHBondContact OD1-N 2.77Å; N535-D538 PolarHBondContact OD1-OD1 3.28Å; N535-D538 PolarHBondContact OD1-OD2 3.17Å; L536-D538 VanDerWaalsContact C-N 3.33Å; L536-D538 PolarHBondContact O-N 2.82Å
539V95.6Very high93.5Very high0 Ų049.8 Ų49.80%026%0.259CS..Hα-helixtrans-65.6-45.4176.6-175.90000110.7F471 V500 Y515 W523 V534 L536 N537 H541 T542F471-V539 WeakPolarHBondContact CZ-O 3.35Å; V500-V539 HydrophobicContact CB-CG1 4.49Å; V500-V539 HydrophobicContact CG2-CG1 3.76Å; Y515-V539 HydrophobicContact CD1-CG2 3.79Å; Y515-V539 HydrophobicContact CD2-CG1 4.27Å; Y515-V539 HydrophobicContact CE1-CG2 4.32Å; Y515-V539 HydrophobicContact CG-CB 4.33Å; Y515-V539 HydrophobicContact CG-CG1 4.13Å; Y515-V539 HydrophobicContact CG-CG2 3.88Å; W523-V539 HydrophobicContact CB-CG2 4.07Å; W523-V539 HydrophobicContact CD2-CG2 3.93Å; W523-V539 HydrophobicContact CE3-CG1 4.09Å; W523-V539 HydrophobicContact CE3-CG2 3.87Å; W523-V539 HydrophobicContact CG-CG2 4.03Å; W523-V539 HydrophobicContact CH2-CG1 4.4Å; W523-V539 HydrophobicContact CZ3-CG1 4.01Å; V534-V539 HydrophobicContact CG2-CG2 4.08Å; L536-V539 WeakPolarHBondContact O-CB 3.39Å; L536-V539 PolarHBondContact O-N 3.09Å; N537-V539 VanDerWaalsContact C-N 3.29Å; N537-V539 PolarHBondContact O-N 3.44Å; V539-H541 VanDerWaalsContact C-N 3.32Å; V539-H541 PolarHBondContact O-N 2.89Å; V539-T542 WeakPolarHBondContact O-CG2 3.29Å
540L95.7Very high93.5Very high52 Ų5243.8 Ų43.827%0.27223%0.231SC..Hα-helixtrans-73.7-19-176.3-65.1178.6000114.2F471 V473 L536 N537F471-L540 HydrophobicContact CD2-CD2 4.16Å; F471-L540 HydrophobicContact CE2-CD2 3.91Å; F471-L540 WeakPolarHBondContact O-CD2 3.43Å; V473-L540 HydrophobicContact CG2-CD1 4.2Å; V473-L540 HydrophobicContact CG2-CD2 3.93Å; V473-L540 HydrophobicContact CG2-CG 4.5Å; L536-L540 HydrophobicContact CD1-CD1 4.27Å; L536-L540 HydrophobicContact CD1-CD2 4.43Å; L536-L540 HydrophobicContact CD1-CG 4.07Å; L536-L540 HydrophobicContact CD2-CD1 4.45Å; L536-L540 HydrophobicContact CG-CD1 4Å; L536-L540 HydrophobicContact CG-CG 4.23Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.15Å; N537-L540 PolarHBondContact O-N 3.08Å
541H90.4Very high93.3Very high140 Ų14038.1 Ų38.165%0.64821%0.206SC*.THydrogen-bonded Turntrans-101.128.5179.9-68.784.6000113.1N537 V539N537-H541 PolarHBondContact O-N 3.07Å; N537-H541 VanDerWaalsContact O-N 3.16Å; N537-H541 PolarHBondContact O-ND1 3.28Å; N537-H541 PolarHBondContact OD1-CE1 3.22Å; N537-H541 PolarHBondContact OD1-ND1 2.79Å; V539-H541 VanDerWaalsContact C-N 3.32Å; V539-H541 PolarHBondContact O-N 2.89Å
542T91.3Very high92.8Very high22 Ų2237.3 Ų37.314%0.13520%0.201CC..SBendtrans-105.6161.3-179-156.80000113.3F471 V500 N502 Y515 V539 A544F471-T542 HydrophobicContact CE1-CG2 4.44Å; F471-T542 HydrophobicContact CZ-CG2 4.06Å; V500-T542 HydrophobicContact CG1-CG2 3.79Å; N502-T542 PolarHBondContact ND2-OG1 3.35Å; N502-T542 WeakPolarHBondContact OD1-CG2 3.09Å; N502-T542 PolarHBondContact OD1-OG1 2.85Å; Y515-T542 HydrophobicContact CD2-CG2 4.14Å; Y515-T542 HydrophobicContact CE2-CG2 3.96Å; V539-T542 WeakPolarHBondContact O-CG2 3.29Å; T542-A544 VanDerWaalsContact C-N 3.3Å; T542-A544 HydrophobicContact CG2-CB 4.48Å; T542-A544 PolarHBondContact O-N 3.41Å
543D86.6Confident92Very high80 Ų8035 Ų3543%0.42819%0.187SC..  trans-84.773.8174.4-67.3-41000110.5Y545D543-Y545 PolarHBondContact O-N 3.03Å
544A93.4Very high91.2Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-57.2136.2-178.400000112L456 R458 F471 V500 T542 L547L456-A544 HydrophobicContact CD1-CB 4.07Å; L456-A544 VanDerWaalsContact CD1-O 3.24Å; L456-A544 WeakPolarHBondContact CD1-O 3.5Å; R458-A544 PolarHBondContact NE-O 2.96Å; R458-A544 PolarHBondContact NH2-O 3.15Å; F471-A544 HydrophobicContact CD1-CB 3.99Å; F471-A544 HydrophobicContact CE1-CB 3.49Å; F471-A544 VanDerWaalsContact CE1-CB 3.49Å; F471-A544 HydrophobicContact CZ-CB 4.09Å; V500-A544 HydrophobicContact CG1-CB 3.61Å; T542-A544 VanDerWaalsContact C-N 3.3Å; T542-A544 HydrophobicContact CG2-CB 4.48Å; T542-A544 PolarHBondContact O-N 3.41Å; A544-L547 HydrophobicContact CB-CD2 3.71Å; A544-L547 HydrophobicContact CB-CG 4.15Å
545Y94.1Very high89.9Confident11 Ų1132.5 Ų32.54%0.04317%0.172CC..EExtended strand (participates in β ladder)trans-111.1-47.4178.5-174.8-114.6000111.7D259 H261 Y455 L456 L501 H503 Y512 D543D259-Y545 WeakPolarHBondContact OD1-CE1 3.31Å; D259-Y545 PolarHBondContact OD1-OH 2.97Å; D259-Y545 PolarHBondContact OD2-OH 3.29Å; H261-Y545 HydrophobicContact CB-CE1 4.39Å; Y455-Y545 HydrophobicContact CE2-CD2 4.48Å; Y455-Y545 AromaticContact CE2-CE1 3.98Å; Y455-Y545 HydrophobicContact CE2-CE1 3.98Å; Y455-Y545 AromaticContact CE2-CE2 3.78Å; Y455-Y545 HydrophobicContact CE2-CE2 3.78Å; Y455-Y545 AromaticContact CE2-CZ 3.5Å; Y455-Y545 VanDerWaalsContact CE2-CZ 3.5Å; Y455-Y545 WeakPolarHBondContact CE2-OH 3.49Å; Y455-Y545 PolarHBondContact OH-OH 3.42Å; L456-Y545 WeakPolarHBondContact CB-O 3.46Å; L456-Y545 PolarHBondContact N-O 2.89Å; L501-Y545 WeakPolarHBondContact O-CA 3.46Å; L501-Y545 VanDerWaalsContact O-CB 3.25Å; L501-Y545 WeakPolarHBondContact O-CB 3.25Å; L501-Y545 PolarHBondContact O-N 3.27Å; H503-Y545 HydrophobicContact CB-CD1 4.22Å; H503-Y545 HydrophobicContact CB-CD2 4.09Å; H503-Y545 HydrophobicContact CB-CG 3.83Å; Y512-Y545 AromaticContact CE1-CD1 3.75Å; Y512-Y545 HydrophobicContact CE1-CD1 3.75Å; Y512-Y545 AromaticContact CE1-CE1 3.83Å; Y512-Y545 HydrophobicContact CE1-CE1 3.83Å; D543-Y545 PolarHBondContact O-N 3.03Å
546V97.4Very high88.2Confident0 Ų033.8 Ų33.80%018%0.177CC..EExtended strand (participates in β ladder)trans-127.7135170.5-179.20000108.4H261 L264 F454 Y455 L501 L548H261-V546 HydrophobicContact CB-CG2 4.1Å; L264-V546 HydrophobicContact CD2-CG1 4.3Å; F454-V546 CarbonylContact O-C 3.51Å; F454-V546 VanDerWaalsContact O-CA 3.31Å; F454-V546 WeakPolarHBondContact O-CA 3.21Å; Y455-V546 HydrophobicContact CD2-CG2 4.23Å; L501-V546 HydrophobicContact CB-CB 3.98Å; L501-V546 HydrophobicContact CD1-CB 4.02Å; L501-V546 HydrophobicContact CD1-CG1 4.37Å; L501-V546 HydrophobicContact CD1-CG2 4.43Å; L501-V546 HydrophobicContact CG-CB 4.03Å; L501-V546 PolarHBondContact N-O 2.85Å; L501-V546 PolarHBondContact O-N 2.88Å; L501-V546 VanDerWaalsContact O-N 3.08Å; V546-L548 HydrophobicContact CG1-CD1 3.88Å; V546-L548 HydrophobicContact CG1-CG 4.42Å
547L98.6Very high86.2Confident0 Ų035.1 Ų35.10%018%0.178CC..EExtended strand (participates in β ladder)trans-115.4127.1175.9-62.2164.3000109L411 F454 L456 F471 L497 V500 A544 Y549L411-L547 HydrophobicContact CD1-CD1 4.17Å; L411-L547 HydrophobicContact CD2-CD1 4.08Å; F454-L547 HydrophobicContact CB-CB 4.28Å; F454-L547 HydrophobicContact CD2-CB 4.42Å; F454-L547 PolarHBondContact N-O 3.33Å; F454-L547 PolarHBondContact O-N 3.07Å; L456-L547 HydrophobicContact CD1-CD1 4.08Å; L456-L547 HydrophobicContact CD1-CG 4.38Å; F471-L547 HydrophobicContact CB-CD1 3.81Å; F471-L547 HydrophobicContact CB-CD2 4.48Å; F471-L547 HydrophobicContact CD1-CD1 4.24Å; F471-L547 HydrophobicContact CD1-CD2 4.05Å; F471-L547 HydrophobicContact CD2-CD2 3.76Å; F471-L547 HydrophobicContact CE1-CD2 4.22Å; F471-L547 HydrophobicContact CE2-CD2 3.93Å; F471-L547 HydrophobicContact CG-CD1 3.96Å; F471-L547 HydrophobicContact CG-CD2 3.82Å; F471-L547 HydrophobicContact CZ-CD2 4.15Å; L497-L547 HydrophobicContact CD1-CB 4.33Å; L497-L547 HydrophobicContact CD1-CD2 3.98Å; V500-L547 HydrophobicContact CB-CD2 4.3Å; V500-L547 HydrophobicContact CG1-CD2 3.84Å; V500-L547 HydrophobicContact CG2-CD2 3.86Å; A544-L547 HydrophobicContact CB-CD2 3.71Å; A544-L547 HydrophobicContact CB-CG 4.15Å; L547-Y549 HydrophobicContact CB-CD2 4.24Å; L547-Y549 HydrophobicContact CB-CE2 3.77Å; L547-Y549 HydrophobicContact CD1-CE2 4.43Å
548L98.4Very high83.5Confident0 Ų032.8 Ų32.80%017%0.165CC..EExtended strand (participates in β ladder)trans-114.3129173.6-56.491.4000110.6A189 L452 Y498 A499 L501 V546A189-L548 HydrophobicContact CB-CD1 4.18Å; A189-L548 HydrophobicContact CB-CD2 4.46Å; L452-L548 WeakPolarHBondContact O-CA 3.44Å; Y498-L548 HydrophobicContact CD1-CB 4.24Å; Y498-L548 WeakPolarHBondContact CD1-O 3.18Å; Y498-L548 HydrophobicContact CE1-CB 3.46Å; Y498-L548 VanDerWaalsContact CE1-CB 3.46Å; Y498-L548 PolarHBondContact N-O 2.87Å; Y498-L548 VanDerWaalsContact N-O 3.08Å; Y498-L548 WeakPolarHBondContact OH-CD2 3.41Å; A499-L548 HydrophobicContact CB-CB 4.16Å; A499-L548 HydrophobicContact CB-CD1 3.93Å; A499-L548 PolarHBondContact N-O 3.16Å; A499-L548 PolarHBondContact O-N 2.72Å; L501-L548 HydrophobicContact CD1-CD1 4.42Å; L501-L548 HydrophobicContact CG-CD1 4.13Å; V546-L548 HydrophobicContact CG1-CD1 3.88Å; V546-L548 HydrophobicContact CG1-CG 4.42Å
549Y97.1Very high83Confident0 Ų031.2 Ų31.20%016%0.156CC..EExtended strand (participates in β ladder)trans-124139.4-179-75.1-99.1000109.5L411 V451 L452 F454 P472 L475 S496 L497 L547L411-Y549 HydrophobicContact CD2-CE2 3.93Å; V451-Y549 CarbonylContact C-O 3.55Å; V451-Y549 WeakPolarHBondContact CA-O 3.25Å; L452-Y549 PolarHBondContact N-O 3.26Å; L452-Y549 PolarHBondContact O-N 2.91Å; F454-Y549 AromaticContact CD2-CD2 3.75Å; F454-Y549 HydrophobicContact CD2-CD2 3.75Å; F454-Y549 AromaticContact CD2-CE2 3.95Å; F454-Y549 HydrophobicContact CD2-CE2 3.95Å; F454-Y549 AromaticContact CE2-CD2 3.73Å; F454-Y549 HydrophobicContact CE2-CD2 3.73Å; F454-Y549 HydrophobicContact CE2-CE2 4.08Å; F454-Y549 HydrophobicContact CE2-CG 4.48Å; P472-Y549 WeakPolarHBondContact O-CE1 3.15Å; P472-Y549 PolarHBondContact O-OH 2.75Å; L475-Y549 HydrophobicContact CB-CD1 3.98Å; L475-Y549 HydrophobicContact CB-CE1 3.78Å; L475-Y549 HydrophobicContact CD2-CD1 4.43Å; L475-Y549 HydrophobicContact CD2-CD2 4.44Å; L475-Y549 HydrophobicContact CD2-CE1 4.4Å; L475-Y549 HydrophobicContact CD2-CE2 4.37Å; L475-Y549 HydrophobicContact CD2-CG 4.48Å; S496-Y549 CarbonylContact O-C 3.58Å; S496-Y549 VanDerWaalsContact O-CA 3.3Å; S496-Y549 WeakPolarHBondContact O-CA 3.5Å; L497-Y549 VanDerWaalsContact CA-CD1 3.5Å; L497-Y549 HydrophobicContact CB-CD1 3.9Å; L497-Y549 HydrophobicContact CB-CE1 3.54Å; L497-Y549 HydrophobicContact CD1-CD1 4.31Å; L497-Y549 HydrophobicContact CD1-CD2 3.92Å; L497-Y549 HydrophobicContact CD1-CE1 3.9Å; L497-Y549 HydrophobicContact CD1-CE2 3.51Å; L497-Y549 HydrophobicContact CD1-CG 4.29Å; L497-Y549 VanDerWaalsContact CD1-CZ 3.46Å; L497-Y549 HydrophobicContact CG-CE1 4.29Å; L547-Y549 HydrophobicContact CB-CD2 4.24Å; L547-Y549 HydrophobicContact CB-CE2 3.77Å; L547-Y549 HydrophobicContact CD1-CE2 4.43Å
550H92.9Very high82.3Confident0 Ų032.8 Ų32.80%016%0.164CC..EExtended strand (participates in β ladder)trans-112.4152.7171.164.567000110.2N450 V451 Y495 S496 Y498 L554 I558N450-H550 WeakPolarHBondContact O-CA 3.46Å; V451-H550 HydrophobicContact CG2-CB 4.1Å; Y495-H550 CarbonylContact C-O 3.59Å; Y495-H550 VanDerWaalsContact CA-O 3.22Å; Y495-H550 WeakPolarHBondContact CA-O 3.11Å; Y495-H550 WeakPolarHBondContact CB-O 3.05Å; S496-H550 PolarHBondContact N-O 3.33Å; S496-H550 PolarHBondContact O-N 3.37Å; Y498-H550 VanDerWaalsContact CB-CD2 3.49Å; Y498-H550 WeakPolarHBondContact CB-CD2 3.33Å; Y498-H550 HydrophobicContact CD1-CB 4.17Å; Y498-H550 AromaticContact CD1-CD2 3.46Å; Y498-H550 VanDerWaalsContact CD1-CD2 3.46Å; Y498-H550 WeakPolarHBondContact CD1-CD2 2.99Å; Y498-H550 HydrophobicContact CE1-CB 4.32Å; Y498-H550 AromaticContact CG-CD2 3.59Å; H550-L554 HydrophobicContact CB-CB 4.33Å; H550-L554 HydrophobicContact CB-CD1 4.13Å; H550-I558 WeakPolarHBondContact NE2-CD1 3.31Å
551K88.3Confident81.6Confident12 Ų1231.8 Ų31.85%0.05216%0.158CC..EExtended strand (participates in β ladder)trans-53.8143.7174-74.1-176.4177.2163.40110.9F136 L448 P449 N450 Y495 L553 L554F136-K551 HydrophobicContact CD1-CD 4.18Å; F136-K551 HydrophobicContact CE1-CD 4.24Å; L448-K551 PolarHBondContact O-NZ 2.92Å; P449-K551 VanDerWaalsContact O-CE 3.24Å; P449-K551 WeakPolarHBondContact O-CE 3.31Å; N450-K551 PolarHBondContact O-N 3.5Å; Y495-K551 HydrophobicContact CD1-CG 4.04Å; Y495-K551 HydrophobicContact CE1-CB 4.4Å; Y495-K551 HydrophobicContact CE1-CG 3.45Å; Y495-K551 VanDerWaalsContact CE1-CG 3.45Å; Y495-K551 HydrophobicContact CE2-CG 4.22Å; Y495-K551 WeakPolarHBondContact OH-CE 3Å; K551-L553 PolarHBondContact O-N 2.99Å; K551-L553 VanDerWaalsContact O-N 3.13Å; K551-L554 HydrophobicContact CB-CD1 4.46Å; K551-L554 HydrophobicContact CB-CG 4.41Å; K551-L554 WeakPolarHBondContact O-CA 3.44Å; K551-L554 VanDerWaalsContact O-CB 3.32Å; K551-L554 WeakPolarHBondContact O-CB 3.46Å; K551-L554 PolarHBondContact O-N 3.08Å
552N82.1Confident81.1Confident18 Ų1825.4 Ų25.410%0.09613%0.129CC..Hα-helixtrans-60.3-27.6-178.8-74.111.7000112.8E474 W491 K494 Y495 S496 L554 A555E474-N552 PolarHBondContact OE2-ND2 3.26Å; E474-N552 PolarHBondContact OE2-OD1 2.9Å; W491-N552 HydrophobicContact CZ2-CB 4.19Å; K494-N552 PolarHBondContact O-N 2.99Å; K494-N552 PolarHBondContact O-OD1 3.39Å; Y495-N552 WeakPolarHBondContact CA-OD1 3.4Å; Y495-N552 PolarHBondContact N-OD1 3.25Å; S496-N552 PolarHBondContact N-OD1 3.21Å; S496-N552 PolarHBondContact OG-OD1 3.18Å; N552-L554 PolarHBondContact O-N 2.7Å; N552-A555 WeakPolarHBondContact O-CB 3.49Å; N552-A555 PolarHBondContact O-N 2.93Å
553L74Confident80.4Confident16 Ų1625.6 Ų25.68%0.08413%0.129CC..Hα-helixtrans-55.5-32.8171.117963.1000113.1Y132 F136 W491 K551 I556Y132-L553 HydrophobicContact CE1-CD1 3.88Å; Y132-L553 HydrophobicContact CE1-CD2 4.14Å; Y132-L553 WeakPolarHBondContact OH-CD1 3.38Å; F136-L553 HydrophobicContact CB-CD2 4.25Å; F136-L553 HydrophobicContact CD1-CD2 3.82Å; F136-L553 HydrophobicContact CD2-CD2 3.26Å; F136-L553 HydrophobicContact CE1-CD2 3.91Å; F136-L553 HydrophobicContact CE2-CD2 3.38Å; F136-L553 HydrophobicContact CG-CD2 3.49Å; F136-L553 VanDerWaalsContact CG-CD2 3.49Å; F136-L553 HydrophobicContact CZ-CD2 3.71Å; W491-L553 HydrophobicContact CH2-CB 4Å; W491-L553 HydrophobicContact CH2-CD1 3.93Å; W491-L553 HydrophobicContact CZ3-CB 3.98Å; W491-L553 HydrophobicContact CZ3-CD1 3.92Å; K551-L553 PolarHBondContact O-N 2.99Å; K551-L553 VanDerWaalsContact O-N 3.13Å; L553-I556 HydrophobicContact CD1-CD1 4.44Å
554L74.2Confident80Confident1 Ų122 Ų221%0.00511%0.109CC..Hα-helixtrans-82.2-15.8179.4-56.1177.3000112.7L138 V195 N450 H550 K551 N552 I556 R557L138-L554 HydrophobicContact CD1-CD2 3.72Å; L138-L554 HydrophobicContact CD2-CD2 4.04Å; L138-L554 HydrophobicContact CG-CD2 4.29Å; V195-L554 HydrophobicContact CG2-CD1 3.76Å; V195-L554 HydrophobicContact CG2-CD2 3.52Å; V195-L554 HydrophobicContact CG2-CG 4.23Å; N450-L554 HydrophobicContact CB-CD1 3.97Å; H550-L554 HydrophobicContact CB-CB 4.33Å; H550-L554 HydrophobicContact CB-CD1 4.13Å; K551-L554 HydrophobicContact CB-CD1 4.46Å; K551-L554 HydrophobicContact CB-CG 4.41Å; K551-L554 WeakPolarHBondContact O-CA 3.44Å; K551-L554 VanDerWaalsContact O-CB 3.32Å; K551-L554 WeakPolarHBondContact O-CB 3.46Å; K551-L554 PolarHBondContact O-N 3.08Å; N552-L554 PolarHBondContact O-N 2.7Å; L554-I556 PolarHBondContact O-N 3.21Å; L554-R557 WeakPolarHBondContact O-CB 3.49Å; L554-R557 PolarHBondContact O-N 3.01Å
555A64.2Low79.1Confident27 Ų2723.6 Ų23.622%0.22312%0.117CC..Hα-helixtrans-61.7-25.6177.900000112.3N552 R557 I558N552-A555 WeakPolarHBondContact O-CB 3.49Å; N552-A555 PolarHBondContact O-N 2.93Å; A555-R557 PolarHBondContact O-N 2.75Å; A555-I558 PolarHBondContact O-N 3.28Å; A555-I558 VanDerWaalsContact O-N 3.1Å
556I57.5Low77.9Confident106 Ų10624.5 Ų24.554%0.54412%0.122SC..THydrogen-bonded Turntrans-60.7-14.6176.3-54171.3000111.7L553 L554L553-I556 HydrophobicContact CD1-CD1 4.44Å; L554-I556 PolarHBondContact O-N 3.21Å
557R50.7Low76.3Confident93 Ų9326.6 Ų26.635%0.35113%0.133SC..THydrogen-bonded Turntrans-102.61.2179.6-60.2-167.7174.2-152.2-0.3115.1P194 R197 D198 L554 A555P194-R557 HydrophobicContact CB-CB 4.19Å; R197-R557 PolarHBondContact NH2-O 3.13Å; D198-R557 WeakPolarHBondContact OD2-CD 3.48Å; D198-R557 IonicContact OD2-CZ 3.64Å; D198-R557 IonicContact OD2-NE 2.65Å; D198-R557 IonicContact OD2-NH1 3.41Å; D198-R557 PolarHBondContact OD2-NH1 3.35Å; L554-R557 WeakPolarHBondContact O-CB 3.49Å; L554-R557 PolarHBondContact O-N 3.01Å; A555-R557 PolarHBondContact O-N 2.75Å
558I37.2Very low74.2Confident46 Ų4629 Ų2924%0.23615%0.145CC..  trans-100.90170.9-59.9-176.9000107.7P194 R517 H550 A555P194-I558 HydrophobicContact CG-CD1 4.09Å; P194-I558 HydrophobicContact CG-CG1 3.85Å; R517-I558 HydrophobicContact CG-CG2 4.4Å; H550-I558 WeakPolarHBondContact NE2-CD1 3.31Å; A555-I558 PolarHBondContact O-N 3.28Å; A555-I558 VanDerWaalsContact O-N 3.1Å

Retrieved 558 of 558 residues in 108.7 ms (Link to these results)

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