A0A096MHL6_POEFO Loading...

RIMS binding protein 2

AlphaFold DB , UniProt , Accession A0A096MHL6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 684 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
1M75.4Confident89.6Confident206 Ų206135.9 Ų135.9100%1.01564%0.64SS**  0-58.50-68.8-57.6-82.800112.2A4 A5M1-A4 PolarHBondContact O-N 3.34Å; M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.11Å
2R85.8Confident90Very high203 Ų203134.5 Ų134.577%0.76663%0.633SS**Hα-helixtrans-60.1-50.6179.3-170.2-177.8-64.2163.3-0.2113.6A4 A5 E6R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.2Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.42Å; R2-E6 WeakPolarHBondContact CG-OE1 3.45Å; R2-E6 PolarHBondContact O-N 3.42Å
3E87.5Confident90.5Very high153 Ų153131.7 Ų131.772%0.71562%0.623SS**Hα-helixtrans-60.7-35.4178.1-171-177.5174.800113.2R7E3-R7 WeakPolarHBondContact O-CB 2.99Å; E3-R7 PolarHBondContact O-N 2.95Å
4A88.9Confident90.7Very high68 Ų68128.9 Ų128.956%0.56261%0.61SS**Hα-helixtrans-69.7-33.3175.400000112.3M1 R2 R8M1-A4 PolarHBondContact O-N 3.34Å; R2-A4 VanDerWaalsContact C-N 3.28Å; R2-A4 PolarHBondContact O-N 3.2Å; A4-R8 WeakPolarHBondContact O-CB 3.3Å; A4-R8 PolarHBondContact O-N 3.34Å; A4-R8 VanDerWaalsContact O-N 3.16Å
5A90.4Very high90.9Very high57 Ų57128.4 Ų128.447%0.47161%0.607SS.*Hα-helixtrans-71.7-41.9175.100000111.7M1 R2 R8 Q9M1-A5 PolarHBondContact O-N 2.89Å; M1-A5 VanDerWaalsContact O-N 3.11Å; R2-A5 WeakPolarHBondContact O-CB 3.34Å; R2-A5 PolarHBondContact O-N 3.42Å; A5-R8 PolarHBondContact O-N 2.79Å; A5-Q9 PolarHBondContact O-N 3.35Å
6E91.5Very high91.3Very high110 Ų110128.9 Ų128.951%0.51461%0.609SS.*Hα-helixtrans-62.5-43.8175-72.8168.8-169.700111.4R2 R8 Q9 Q10R2-E6 WeakPolarHBondContact CG-OE1 3.45Å; R2-E6 PolarHBondContact O-N 3.42Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.32Å; E6-Q9 PolarHBondContact O-N 3.5Å; E6-Q10 PolarHBondContact O-N 3.19Å
7R92.3Very high91.5Very high179 Ų179128.8 Ų128.868%0.67561%0.608SS**Hα-helixtrans-64.4-34.5177-162.2176.6-172.1104.32.8112.8E3 L11E3-R7 WeakPolarHBondContact O-CB 2.99Å; E3-R7 PolarHBondContact O-N 2.95Å; R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.89Å; R7-L11 VanDerWaalsContact O-N 3.11Å
8R92.9Very high91.7Very high182 Ų182124.9 Ų124.969%0.68760%0.601SS**Hα-helixtrans-66.7-44.1174.6-179.4179171178.8-1.5111.5A4 A5 E6 Q10 L11 E12A4-R8 WeakPolarHBondContact O-CB 3.3Å; A4-R8 PolarHBondContact O-N 3.34Å; A4-R8 VanDerWaalsContact O-N 3.16Å; A5-R8 PolarHBondContact O-N 2.79Å; E6-R8 VanDerWaalsContact C-N 3.31Å; E6-R8 PolarHBondContact O-N 3.32Å; R8-Q10 VanDerWaalsContact C-N 3.32Å; R8-Q10 PolarHBondContact O-N 3.03Å; R8-L11 PolarHBondContact O-N 2.88Å; R8-E12 WeakPolarHBondContact O-CB 3.4Å; R8-E12 PolarHBondContact O-N 3.03Å
9Q93.6Very high91.9Very high138 Ų138123.1 Ų123.165%0.64559%0.594SS**Hα-helixtrans-62.5-40.4176.1-76.8-176.5-2100111.9A5 E6 E12 L13A5-Q9 PolarHBondContact O-N 3.35Å; E6-Q9 PolarHBondContact O-N 3.5Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q9-L13 PolarHBondContact O-N 3.39Å
10Q93.5Very high92.1Very high99 Ų99120.1 Ų120.146%0.46359%0.591SS.*Hα-helixtrans-62-44.2176.5-17760.127.800112E6 R8 E12 L13 E14E6-Q10 PolarHBondContact O-N 3.19Å; R8-Q10 VanDerWaalsContact C-N 3.32Å; R8-Q10 PolarHBondContact O-N 3.03Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3.42Å; Q10-L13 PolarHBondContact O-N 2.9Å; Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.42Å; Q10-E14 PolarHBondContact O-N 3.25Å
11L94.1Very high92.2Very high100 Ų100118.5 Ų118.552%0.52459%0.587SS.*Hα-helixtrans-66.3-34.1177.2-73.9170.4000112.8R7 R8 E14 H15R7-L11 WeakPolarHBondContact O-CG 3.48Å; R7-L11 PolarHBondContact O-N 2.89Å; R7-L11 VanDerWaalsContact O-N 3.11Å; R8-L11 PolarHBondContact O-N 2.88Å; L11-E14 PolarHBondContact O-N 2.92Å; L11-H15 WeakPolarHBondContact O-CB 3.33Å; L11-H15 PolarHBondContact O-N 2.79Å
12E94.3Very high93.2Very high119 Ų119114.2 Ų114.256%0.55657%0.568SS**Hα-helixtrans-66.9-41.2176.6-167.7163.1-165.500111.2R8 Q9 Q10 H15 E16R8-E12 WeakPolarHBondContact O-CB 3.4Å; R8-E12 PolarHBondContact O-N 3.03Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q10-E12 VanDerWaalsContact C-N 3.32Å; Q10-E12 PolarHBondContact O-N 3.42Å; E12-H15 PolarHBondContact O-N 3.36Å; E12-E16 PolarHBondContact O-N 3.49Å
13L95.8Very high93.6Very high98 Ų98109 Ų10951%0.51356%0.556SS.*Hα-helixtrans-63.5-45173.4-169.2104.8000112.1Q9 Q10 H15 E16 Q17Q9-L13 PolarHBondContact O-N 3.39Å; Q10-L13 PolarHBondContact O-N 2.9Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.82Å; L13-E16 PolarHBondContact O-N 3.45Å; L13-Q17 WeakPolarHBondContact O-CB 3.37Å; L13-Q17 PolarHBondContact O-N 2.84Å
14E93.4Very high94Very high92 Ų92104.4 Ų104.443%0.4354%0.543SS..Hα-helixtrans-63.3-38.1177.3-75.3173.5-166.600111.8Q10 L11 A18Q10-E14 PolarHBondContact NE2-OE1 2.87Å; Q10-E14 WeakPolarHBondContact O-CG 3.42Å; Q10-E14 PolarHBondContact O-N 3.25Å; L11-E14 PolarHBondContact O-N 2.92Å; E14-A18 WeakPolarHBondContact O-CB 3.14Å; E14-A18 PolarHBondContact O-N 3.35Å
15H94.7Very high94.2Very high122 Ų122106.3 Ų106.357%0.56554%0.539SS*.Hα-helixtrans-65.5-45.2175.2-178.762.4000112L11 E12 L13 Q17 A18 L19L11-H15 WeakPolarHBondContact O-CB 3.33Å; L11-H15 PolarHBondContact O-N 2.79Å; E12-H15 PolarHBondContact O-N 3.36Å; L13-H15 VanDerWaalsContact C-N 3.31Å; L13-H15 PolarHBondContact O-N 2.82Å; H15-Q17 VanDerWaalsContact C-N 3.34Å; H15-Q17 PolarHBondContact O-N 3.21Å; H15-A18 PolarHBondContact O-N 3.21Å; H15-L19 WeakPolarHBondContact NE2-CD1 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.48Å; H15-L19 PolarHBondContact O-N 2.87Å
16E96.2Very high94.4Very high137 Ų137108.1 Ų108.164%0.6454%0.538SS*.Hα-helixtrans-62.4-42177-170.7177.1-179.300111.4E12 L13 A18 L19 A20E12-E16 PolarHBondContact O-N 3.49Å; L13-E16 PolarHBondContact O-N 3.45Å; E16-A18 PolarHBondContact O-N 3.21Å; E16-L19 PolarHBondContact O-N 2.81Å; E16-A20 PolarHBondContact O-N 2.87Å
17Q95.1Very high94.6Very high127 Ų127108.4 Ų108.459%0.59354%0.539SS*.Hα-helixtrans-63.5-42.3175.4-170.7176.515.800112L13 H15 L19 A20 V21L13-Q17 WeakPolarHBondContact O-CB 3.37Å; L13-Q17 PolarHBondContact O-N 2.84Å; H15-Q17 VanDerWaalsContact C-N 3.34Å; H15-Q17 PolarHBondContact O-N 3.21Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.77Å; Q17-A20 PolarHBondContact O-N 2.96Å; Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.38Å; Q17-V21 VanDerWaalsContact O-N 3.08Å
18A94.8Very high94.7Very high59 Ų59104.3 Ų104.349%0.48853%0.528SS..Hα-helixtrans-63.8-39.3176.800000112.1E14 H15 E16 V21 L22E14-A18 WeakPolarHBondContact O-CB 3.14Å; E14-A18 PolarHBondContact O-N 3.35Å; H15-A18 PolarHBondContact O-N 3.21Å; E16-A18 PolarHBondContact O-N 3.21Å; A18-V21 PolarHBondContact O-N 2.87Å; A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 PolarHBondContact O-N 2.97Å
19L95.9Very high94.6Very high89 Ų8999.3 Ų99.347%0.46651%0.514SS..Hα-helixtrans-63.6-41174.6-77.3173.2000112.1H15 E16 Q17 L22 N23H15-L19 WeakPolarHBondContact NE2-CD1 3.32Å; H15-L19 WeakPolarHBondContact O-CG 3.48Å; H15-L19 PolarHBondContact O-N 2.87Å; E16-L19 PolarHBondContact O-N 2.81Å; Q17-L19 VanDerWaalsContact C-N 3.34Å; Q17-L19 PolarHBondContact O-N 2.77Å; L19-L22 PolarHBondContact O-N 3.01Å; L19-N23 WeakPolarHBondContact O-CB 3.21Å; L19-N23 PolarHBondContact O-N 3.48Å
20A95.8Very high94.7Very high64 Ų6496.6 Ų96.653%0.52950%0.504SS..Hα-helixtrans-62.2-43.2176.300000111.8E16 Q17 N23 A24E16-A20 PolarHBondContact O-N 2.87Å; Q17-A20 PolarHBondContact O-N 2.96Å; A20-N23 PolarHBondContact O-N 3.42Å; A20-A24 WeakPolarHBondContact O-CB 3.38Å; A20-A24 PolarHBondContact O-N 3.21Å
21V95.4Very high94.8Very high86 Ų8697.6 Ų97.652%0.52151%0.512SS..Hα-helixtrans-64.9-42.3176.2173.80000111.3Q17 A18 N23 A24 K25Q17-V21 WeakPolarHBondContact O-CG2 3.33Å; Q17-V21 PolarHBondContact O-N 3.38Å; Q17-V21 VanDerWaalsContact O-N 3.08Å; A18-V21 PolarHBondContact O-N 2.87Å; V21-N23 PolarHBondContact O-N 2.62Å; V21-A24 PolarHBondContact O-N 2.92Å; V21-K25 HydrophobicContact CG1-CG 4.44Å; V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 WeakPolarHBondContact O-CG 3.49Å; V21-K25 PolarHBondContact O-N 2.8Å
22L94.9Very high94.7Very high116 Ų11698.1 Ų98.161%0.60751%0.514SS*.Hα-helixtrans-62.4-43.5178-174.168.8000111.4A18 L19 K25 Q26A18-L22 WeakPolarHBondContact O-CB 3.42Å; A18-L22 PolarHBondContact O-N 2.97Å; L19-L22 PolarHBondContact O-N 3.01Å; L22-K25 PolarHBondContact O-N 2.84Å; L22-Q26 PolarHBondContact O-N 3.29Å
23N95.3Very high94.6Very high95 Ų9597.7 Ų97.751%0.50851%0.512SS..Hα-helixtrans-65-43.6178.1-164.7-28.9000111.4L19 A20 V21 K25 Q26 Q27L19-N23 WeakPolarHBondContact O-CB 3.21Å; L19-N23 PolarHBondContact O-N 3.48Å; A20-N23 PolarHBondContact O-N 3.42Å; V21-N23 PolarHBondContact O-N 2.62Å; N23-K25 VanDerWaalsContact C-N 3.3Å; N23-K25 PolarHBondContact O-N 2.86Å; N23-Q26 WeakPolarHBondContact O-CB 3.3Å; N23-Q26 PolarHBondContact O-N 2.88Å; N23-Q26 VanDerWaalsContact O-N 3.15Å; N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 2.83Å
24A95.6Very high94.6Very high55 Ų55100.2 Ų100.246%0.45552%0.519SS..Hα-helixtrans-59.7-41.2174.200000112.2A20 V21 Q27 E28A20-A24 WeakPolarHBondContact O-CB 3.38Å; A20-A24 PolarHBondContact O-N 3.21Å; V21-A24 PolarHBondContact O-N 2.92Å; A24-Q27 PolarHBondContact O-N 3.41Å; A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å
25K93.1Very high94.5Very high108 Ų10898.3 Ų98.347%0.4752%0.519SS..Hα-helixtrans-66.8-36175.5-73.3-73.9162.6-157.70112.5V21 L22 N23 E28 I29V21-K25 HydrophobicContact CG1-CG 4.44Å; V21-K25 WeakPolarHBondContact O-CB 3.39Å; V21-K25 WeakPolarHBondContact O-CG 3.49Å; V21-K25 PolarHBondContact O-N 2.8Å; L22-K25 PolarHBondContact O-N 2.84Å; N23-K25 VanDerWaalsContact C-N 3.3Å; N23-K25 PolarHBondContact O-N 2.86Å; K25-E28 IonicContact NZ-OE1 3.65Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 2.81Å; K25-E28 PolarHBondContact O-N 2.9Å; K25-I29 WeakPolarHBondContact O-CG1 3.3Å; K25-I29 PolarHBondContact O-N 2.85Å
26Q94.4Very high94.3Very high95 Ų9599.3 Ų99.344%0.44452%0.524SS..Hα-helixtrans-64.1-43.5174.7-171.959.456.600111.4L22 N23 E28 I29 D30L22-Q26 PolarHBondContact O-N 3.29Å; N23-Q26 WeakPolarHBondContact O-CB 3.3Å; N23-Q26 PolarHBondContact O-N 2.88Å; N23-Q26 VanDerWaalsContact O-N 3.15Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.92Å; Q26-I29 PolarHBondContact O-N 2.68Å; Q26-D30 PolarHBondContact NE2-OD1 2.67Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.15Å
27Q95.4Very high94.1Very high117 Ų11797.7 Ų97.755%0.54752%0.524SS..Hα-helixtrans-63.1-37.2175.8-68.9-180-4.500112.7N23 A24 D30 L31N23-Q27 WeakPolarHBondContact O-CG 3.35Å; N23-Q27 PolarHBondContact O-N 2.83Å; A24-Q27 PolarHBondContact O-N 3.41Å; Q27-D30 PolarHBondContact O-N 2.81Å; Q27-L31 WeakPolarHBondContact O-CG 3.32Å; Q27-L31 PolarHBondContact O-N 3.06Å
28E93.8Very high94Very high92 Ų9297.2 Ų97.243%0.4352%0.521SS..Hα-helixtrans-63.4-41.9174.6-171.4179.3-179.200111.5A24 K25 Q26 L31 L32A24-E28 PolarHBondContact O-N 2.87Å; A24-E28 VanDerWaalsContact O-N 3.08Å; K25-E28 IonicContact NZ-OE1 3.65Å; K25-E28 IonicContact NZ-OE2 2.94Å; K25-E28 PolarHBondContact NZ-OE2 2.81Å; K25-E28 PolarHBondContact O-N 2.9Å; Q26-E28 VanDerWaalsContact C-N 3.32Å; Q26-E28 PolarHBondContact O-N 2.92Å; E28-L31 PolarHBondContact O-N 3.23Å; E28-L32 HydrophobicContact CG-CD1 4.45Å; E28-L32 WeakPolarHBondContact O-CG 3.34Å; E28-L32 PolarHBondContact O-N 2.94Å
29I92.8Very high93.8Very high78 Ų7897 Ų9740%0.452%0.52SS..Hα-helixtrans-62.3-45.1175.4-69.1165.8000110.8K25 Q26 L31 L32 Q33K25-I29 WeakPolarHBondContact O-CG1 3.3Å; K25-I29 PolarHBondContact O-N 2.85Å; Q26-I29 PolarHBondContact O-N 2.68Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 3.42Å; I29-L32 PolarHBondContact O-N 2.81Å; I29-Q33 HydrophobicContact CG2-CG 4.34Å; I29-Q33 WeakPolarHBondContact O-CG 3.3Å; I29-Q33 PolarHBondContact O-N 2.81Å
30D94.8Very high93.5Very high80 Ų8099.1 Ų99.143%0.42853%0.525SS..Hα-helixtrans-63.3-38.6-179.4-64.3-10.3000111.5Q26 Q27 Q33 K34Q26-D30 PolarHBondContact NE2-OD1 2.67Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 VanDerWaalsContact O-CG 3.29Å; Q26-D30 PolarHBondContact O-N 3.15Å; Q27-D30 PolarHBondContact O-N 2.81Å; D30-Q33 PolarHBondContact O-N 2.86Å; D30-K34 PolarHBondContact O-N 2.84Å
31L95.3Very high93.4Very high121 Ų121103.6 Ų103.663%0.63453%0.533SS*.Hα-helixtrans-63.9-44.3173.5-79.6164.1000112.2Q27 E28 I29 K34 A35Q27-L31 WeakPolarHBondContact O-CG 3.32Å; Q27-L31 PolarHBondContact O-N 3.06Å; E28-L31 PolarHBondContact O-N 3.23Å; I29-L31 VanDerWaalsContact C-N 3.31Å; I29-L31 PolarHBondContact O-N 3.42Å; L31-K34 PolarHBondContact O-N 2.86Å; L31-A35 PolarHBondContact O-N 2.83Å
32L92.6Very high93.2Very high111 Ų111106.1 Ų106.158%0.58154%0.539SS*.Hα-helixtrans-65.2-40.1177.8-72.2172.4000112E28 I29 K34 A35 Q36E28-L32 HydrophobicContact CG-CD1 4.45Å; E28-L32 WeakPolarHBondContact O-CG 3.34Å; E28-L32 PolarHBondContact O-N 2.94Å; I29-L32 PolarHBondContact O-N 2.81Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.77Å; L32-A35 PolarHBondContact O-N 2.81Å; L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 2.7Å
33Q92.7Very high93Very high110 Ų110106.6 Ų106.651%0.51454%0.538SS..Hα-helixtrans-62-42.3174.9-74.7180-4.300111.5I29 D30 Q36 V37I29-Q33 HydrophobicContact CG2-CG 4.34Å; I29-Q33 WeakPolarHBondContact O-CG 3.3Å; I29-Q33 PolarHBondContact O-N 2.81Å; D30-Q33 PolarHBondContact O-N 2.86Å; Q33-Q36 PolarHBondContact O-N 2.83Å; Q33-V37 WeakPolarHBondContact O-CG2 3.47Å; Q33-V37 PolarHBondContact O-N 3.39Å; Q33-V37 VanDerWaalsContact O-N 3.07Å
34K94.8Very high92.8Very high151 Ų151107.1 Ų107.166%0.65754%0.537SS*.Hα-helixtrans-62.3-45.9175.8-172.8-178.7176.9-174.10111.8D30 L31 L32 Q36 V37 E38D30-K34 PolarHBondContact O-N 2.84Å; L31-K34 PolarHBondContact O-N 2.86Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 2.77Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.91Å; K34-V37 PolarHBondContact O-N 3.07Å; K34-E38 PolarHBondContact O-N 2.62Å; K34-E38 VanDerWaalsContact O-N 3.11Å
35A92.3Very high92.6Very high52 Ų52106.7 Ų106.743%0.4354%0.538SS..Hα-helixtrans-62.3-37.5176.800000112.1L31 L32 E38 A39L31-A35 PolarHBondContact O-N 2.83Å; L32-A35 PolarHBondContact O-N 2.81Å; A35-E38 PolarHBondContact O-N 2.82Å; A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.16Å
36Q89.3Confident92.5Very high142 Ų142104 Ų10466%0.66454%0.535SS*.Hα-helixtrans-65-40.2176.4-173.3178.45.600112.4L32 Q33 K34 K40L32-Q36 WeakPolarHBondContact O-CB 3.4Å; L32-Q36 PolarHBondContact O-N 2.7Å; Q33-Q36 PolarHBondContact O-N 2.83Å; K34-Q36 VanDerWaalsContact C-N 3.3Å; K34-Q36 PolarHBondContact O-N 2.91Å; Q36-K40 WeakPolarHBondContact O-CB 3.4Å; Q36-K40 PolarHBondContact O-N 2.69Å
37V93.3Very high92.4Very high104 Ų104102 Ų10263%0.6353%0.529SS*.Hα-helixtrans-65.2-41176.2171.50000111.1Q33 K34 K40 K41Q33-V37 WeakPolarHBondContact O-CG2 3.47Å; Q33-V37 PolarHBondContact O-N 3.39Å; Q33-V37 VanDerWaalsContact O-N 3.07Å; K34-V37 PolarHBondContact O-N 3.07Å; V37-K40 PolarHBondContact O-N 3.12Å; V37-K41 PolarHBondContact O-N 2.79Å
38E93Very high92.2Very high116 Ų116101.5 Ų101.554%0.54253%0.527SS..Hα-helixtrans-64.5-47.3176.5-174.4166.3-15600111.7K34 A35 K40 K41 E42K34-E38 PolarHBondContact O-N 2.62Å; K34-E38 VanDerWaalsContact O-N 3.11Å; A35-E38 PolarHBondContact O-N 2.82Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 2.86Å; E38-K41 WeakPolarHBondContact O-CB 3.15Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 VanDerWaalsContact O-N 3.1Å; E38-E42 PolarHBondContact O-N 2.9Å
39A89.6Confident92.2Very high56 Ų56103 Ų10346%0.46354%0.538SS..Hα-helixtrans-59.6-38.517500000112.3A35 E42 H43A35-A39 WeakPolarHBondContact O-CB 3.21Å; A35-A39 PolarHBondContact O-N 3.16Å; A39-E42 PolarHBondContact O-N 3.26Å; A39-H43 WeakPolarHBondContact O-CB 3.17Å; A39-H43 PolarHBondContact O-N 3.2Å
40K89.4Confident92.2Very high133 Ų133105.2 Ų105.258%0.57855%0.549SS*.Hα-helixtrans-64.4-41.7175.3-168.9-175.8-179.2-161.10111.6Q36 V37 E38 H43 E44Q36-K40 WeakPolarHBondContact O-CB 3.4Å; Q36-K40 PolarHBondContact O-N 2.69Å; V37-K40 PolarHBondContact O-N 3.12Å; E38-K40 VanDerWaalsContact C-N 3.28Å; E38-K40 PolarHBondContact O-N 2.86Å; K40-H43 WeakPolarHBondContact O-CB 3.31Å; K40-H43 PolarHBondContact O-N 3.14Å; K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 IonicContact NZ-OE1 2.6Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3.13Å
41K94.1Very high92Very high157 Ų157106.4 Ų106.468%0.68355%0.552SS**Hα-helixtrans-63.7-42.1177.1-176.3-175.2176.2-172.50111.9V37 E38 H43 E44 G45V37-K41 PolarHBondContact O-N 2.79Å; E38-K41 WeakPolarHBondContact O-CB 3.15Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 VanDerWaalsContact O-N 3.1Å; K41-H43 VanDerWaalsContact C-N 3.34Å; K41-E44 PolarHBondContact O-N 2.9Å; K41-G45 PolarHBondContact O-N 2.66Å
42E91.2Very high91.9Very high139 Ų139104.6 Ų104.665%0.6554%0.544SS*.Hα-helixtrans-64.1-41175-70.5-173.2166.300111.7E38 A39 G45 A46E38-E42 PolarHBondContact O-N 2.9Å; A39-E42 PolarHBondContact O-N 3.26Å; E42-G45 PolarHBondContact O-N 3.16Å; E42-A46 PolarHBondContact O-N 2.86Å
43H91.1Very high91.9Very high127 Ų127104.9 Ų104.959%0.58854%0.541SS*.Hα-helixtrans-61.3-48.1175.3-179.666.9000112.1A39 K40 K41 G45 A46 V47A39-H43 WeakPolarHBondContact O-CB 3.17Å; A39-H43 PolarHBondContact O-N 3.2Å; K40-H43 WeakPolarHBondContact O-CB 3.31Å; K40-H43 PolarHBondContact O-N 3.14Å; K41-H43 VanDerWaalsContact C-N 3.34Å; H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.08Å; H43-A46 PolarHBondContact O-N 2.68Å; H43-A46 VanDerWaalsContact O-N 3.13Å; H43-V47 WeakPolarHBondContact O-CG2 3.44Å; H43-V47 PolarHBondContact O-N 3.38Å
44E89.5Confident91.9Very high106 Ų106104 Ų10450%0.49554%0.54SS..Hα-helixtrans-58-39.6175.2-74.6172.9-17200111.6K40 K41 V47 H48K40-E44 WeakPolarHBondContact CE-OE1 3.43Å; K40-E44 IonicContact NZ-OE1 2.6Å; K40-E44 WeakPolarHBondContact O-CG 3.28Å; K40-E44 PolarHBondContact O-N 3.13Å; K41-E44 PolarHBondContact O-N 2.9Å; E44-V47 PolarHBondContact O-N 2.85Å; E44-H48 PolarHBondContact O-N 2.99Å
45G92.6Very high91.8Very high45 Ų45101.3 Ų101.346%0.46453%0.533SS..Hα-helixtrans-63.7-40.5174.600000113.6K41 E42 H43 L49K41-G45 PolarHBondContact O-N 2.66Å; E42-G45 PolarHBondContact O-N 3.16Å; H43-G45 VanDerWaalsContact C-N 3.27Å; H43-G45 PolarHBondContact O-N 3.08Å; G45-L49 PolarHBondContact O-N 3.16Å
46A91Very high91.8Very high51 Ų51101.6 Ų101.642%0.42153%0.531SS..Hα-helixtrans-67.7-39.8176.500000112.2E42 H43 L49 L50E42-A46 PolarHBondContact O-N 2.86Å; H43-A46 PolarHBondContact O-N 2.68Å; H43-A46 VanDerWaalsContact O-N 3.13Å; A46-L49 PolarHBondContact O-N 3.11Å; A46-L50 WeakPolarHBondContact O-CG 3.13Å; A46-L50 PolarHBondContact O-N 3.25Å; A46-L50 VanDerWaalsContact O-N 3.11Å
47V92.2Very high92Very high53 Ų5399.4 Ų99.432%0.32152%0.522SS..Hα-helixtrans-61.3-48.2175.81720000110.5H43 E44 L49 L50 E51H43-V47 WeakPolarHBondContact O-CG2 3.44Å; H43-V47 PolarHBondContact O-N 3.38Å; E44-V47 PolarHBondContact O-N 2.85Å; V47-L49 PolarHBondContact O-N 3.42Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.07Å; V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 WeakPolarHBondContact O-CG 3.46Å; V47-E51 PolarHBondContact O-N 2.87Å
48H91.3Very high91.9Very high107 Ų10799.1 Ų99.150%0.49551%0.514SS..Hα-helixtrans-60.9-33.9178.8-166.7-48.3000112.5E44 N52E44-H48 PolarHBondContact O-N 2.99Å; H48-N52 PolarHBondContact CE1-ND2 3.4Å; H48-N52 PolarHBondContact ND1-ND2 2.99Å; H48-N52 VanDerWaalsContact ND1-ND2 3.13Å; H48-N52 WeakPolarHBondContact O-CB 3.43Å; H48-N52 VanDerWaalsContact O-CG 3.23Å; H48-N52 PolarHBondContact O-N 3.5Å; H48-N52 VanDerWaalsContact O-N 3.11Å; H48-N52 PolarHBondContact O-ND2 3.25Å
49L93.6Very high91.9Very high125 Ų12596.2 Ų96.265%0.65451%0.51SS*.Hα-helixtrans-68.1-40.2175.4-172.170.2000111.8G45 A46 V47 H53G45-L49 PolarHBondContact O-N 3.16Å; A46-L49 PolarHBondContact O-N 3.11Å; V47-L49 PolarHBondContact O-N 3.42Å; L49-H53 PolarHBondContact O-N 3.26Å
50L92.4Very high92.1Very high123 Ų12399.6 Ų99.664%0.64451%0.514SS*.Hα-helixtrans-67.6-40.9177.5-71.3171.9000111.8A46 V47 H53 L54A46-L50 WeakPolarHBondContact O-CG 3.13Å; A46-L50 PolarHBondContact O-N 3.25Å; A46-L50 VanDerWaalsContact O-N 3.11Å; V47-L50 WeakPolarHBondContact O-CB 3.41Å; V47-L50 PolarHBondContact O-N 3.07Å; L50-H53 PolarHBondContact O-N 3.25Å; L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å
51E90.3Very high92.3Very high105 Ų10596.8 Ų96.849%0.49151%0.508SS..Hα-helixtrans-59.4-48.9174.3-71.5174.8157.500111V47 H53 L54 D55V47-E51 HydrophobicContact CG1-CG 4.36Å; V47-E51 WeakPolarHBondContact O-CG 3.46Å; V47-E51 PolarHBondContact O-N 2.87Å; E51-H53 VanDerWaalsContact C-N 3.27Å; E51-H53 PolarHBondContact O-N 3.01Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.16Å; E51-L54 VanDerWaalsContact O-N 3.12Å; E51-D55 PolarHBondContact O-N 3.44Å
52N93.4Very high92.3Very high84 Ų8497.1 Ų97.145%0.44951%0.505SS..Hα-helixtrans-58.3-38.8175.6-74-22.8000112.5H48 S56H48-N52 PolarHBondContact CE1-ND2 3.4Å; H48-N52 PolarHBondContact ND1-ND2 2.99Å; H48-N52 VanDerWaalsContact ND1-ND2 3.13Å; H48-N52 WeakPolarHBondContact O-CB 3.43Å; H48-N52 VanDerWaalsContact O-CG 3.23Å; H48-N52 PolarHBondContact O-N 3.5Å; H48-N52 VanDerWaalsContact O-N 3.11Å; H48-N52 PolarHBondContact O-ND2 3.25Å; N52-S56 WeakPolarHBondContact O-CB 3.2Å; N52-S56 PolarHBondContact O-N 2.85Å; N52-S56 VanDerWaalsContact O-N 3.1Å
53H93.1Very high92.5Very high116 Ų11696.7 Ų96.754%0.53750%0.503SS..Hα-helixtrans-69.9-39.2178-173.4-95.8000111.8L49 L50 E51 S56 M57L49-H53 PolarHBondContact O-N 3.26Å; L50-H53 PolarHBondContact O-N 3.25Å; E51-H53 VanDerWaalsContact C-N 3.27Å; E51-H53 PolarHBondContact O-N 3.01Å; H53-S56 PolarHBondContact O-N 2.99Å; H53-M57 PolarHBondContact CE1-SD 3.36Å; H53-M57 WeakPolarHBondContact O-CG 3.34Å; H53-M57 PolarHBondContact O-N 3.07Å
54L92.5Very high92.6Very high91 Ų9196.1 Ų96.148%0.47650%0.503SS..Hα-helixtrans-63.2-45.6176.3-175.562.4000111.1L50 E51 S56 M57 Q58L50-L54 WeakPolarHBondContact O-CB 3.28Å; L50-L54 PolarHBondContact O-N 3.47Å; E51-L54 WeakPolarHBondContact O-CB 3.46Å; E51-L54 PolarHBondContact O-N 3.16Å; E51-L54 VanDerWaalsContact O-N 3.12Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.72Å; L54-M57 PolarHBondContact O-N 3.03Å; L54-Q58 WeakPolarHBondContact O-CG 3.44Å; L54-Q58 PolarHBondContact O-N 2.88Å
55D92.6Very high92.7Very high96 Ų9695.7 Ų95.751%0.51350%0.501SS..Hα-helixtrans-60.6-42.3176.1-75.3-14.8000111.7E51 M57 Q58 A59E51-D55 PolarHBondContact O-N 3.44Å; D55-M57 PolarHBondContact O-N 3.11Å; D55-Q58 PolarHBondContact O-N 3.1Å; D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.14Å
56S93.3Very high92.9Very high57 Ų5799 Ų9940%0.39951%0.505SS..Hα-helixtrans-62.3-42.1175.3-173.40000112.2N52 H53 L54 A59 K60N52-S56 WeakPolarHBondContact O-CB 3.2Å; N52-S56 PolarHBondContact O-N 2.85Å; N52-S56 VanDerWaalsContact O-N 3.1Å; H53-S56 PolarHBondContact O-N 2.99Å; L54-S56 VanDerWaalsContact C-N 3.32Å; L54-S56 PolarHBondContact O-N 2.72Å; S56-A59 PolarHBondContact O-N 2.82Å; S56-K60 WeakPolarHBondContact O-CG 3.37Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 VanDerWaalsContact O-N 3.08Å
57M92.4Very high93Very high96 Ų96103.6 Ų103.647%0.47352%0.515SS..Hα-helixtrans-65-44.3176-79.7-176.34700111.9H53 L54 D55 A59 K60 V61H53-M57 PolarHBondContact CE1-SD 3.36Å; H53-M57 WeakPolarHBondContact O-CG 3.34Å; H53-M57 PolarHBondContact O-N 3.07Å; L54-M57 PolarHBondContact O-N 3.03Å; D55-M57 PolarHBondContact O-N 3.11Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.28Å; M57-K60 PolarHBondContact O-N 2.76Å; M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.31Å
58Q91.3Very high93Very high99 Ų99104.8 Ų104.846%0.46353%0.525SS..Hα-helixtrans-62-40177.4-73.3-177.46.300111.7L54 D55 V61 R62L54-Q58 WeakPolarHBondContact O-CG 3.44Å; L54-Q58 PolarHBondContact O-N 2.88Å; D55-Q58 PolarHBondContact O-N 3.1Å; Q58-V61 PolarHBondContact O-N 2.87Å; Q58-R62 WeakPolarHBondContact O-CB 3.48Å; Q58-R62 PolarHBondContact O-N 2.76Å
59A94Very high93Very high54 Ų54105.9 Ų105.945%0.44653%0.525SS..Hα-helixtrans-60.7-45.117400000111.8D55 S56 M57 V61 R62 E63D55-A59 WeakPolarHBondContact O-CB 3.47Å; D55-A59 PolarHBondContact O-N 3.14Å; S56-A59 PolarHBondContact O-N 2.82Å; M57-A59 VanDerWaalsContact C-N 3.31Å; M57-A59 PolarHBondContact O-N 3.28Å; A59-V61 PolarHBondContact O-N 2.97Å; A59-R62 PolarHBondContact O-N 3.46Å; A59-E63 PolarHBondContact O-N 2.79Å
60K93.1Very high93Very high127 Ų127102.5 Ų102.555%0.55251%0.512SS*.Hα-helixtrans-63.7-39.6176.4-75.3178.3-179.9174.70112.9S56 M57 E63 L64S56-K60 WeakPolarHBondContact O-CG 3.37Å; S56-K60 PolarHBondContact O-N 3.43Å; S56-K60 VanDerWaalsContact O-N 3.08Å; M57-K60 PolarHBondContact O-N 2.76Å; K60-E63 PolarHBondContact O-N 3.05Å; K60-L64 WeakPolarHBondContact O-CB 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.31Å
61V93.8Very high93Very high74 Ų74102.9 Ų102.945%0.44851%0.51SS..Hα-helixtrans-62.6-46.5175.5170.50000110M57 Q58 A59 E63 L64 E65M57-V61 WeakPolarHBondContact O-CG2 3.44Å; M57-V61 PolarHBondContact O-N 3.31Å; Q58-V61 PolarHBondContact O-N 2.87Å; A59-V61 PolarHBondContact O-N 2.97Å; V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 2.94Å; V61-L64 PolarHBondContact O-N 3.43Å; V61-E65 HydrophobicContact CG1-CG 4.35Å; V61-E65 WeakPolarHBondContact O-CG 3.23Å; V61-E65 PolarHBondContact O-N 3.32Å
62R94.1Very high93.1Very high165 Ų165101.4 Ų101.462%0.62351%0.512SS*.Hα-helixtrans-59.1-41.8177.7-170.1-178.6-65.41552.2112.2Q58 A59 E65 E66Q58-R62 WeakPolarHBondContact O-CB 3.48Å; Q58-R62 PolarHBondContact O-N 2.76Å; A59-R62 PolarHBondContact O-N 3.46Å; R62-E65 PolarHBondContact O-N 3.04Å; R62-E66 PolarHBondContact O-N 2.79Å
63E95.1Very high93.1Very high129 Ų129104 Ų10460%0.60352%0.521SS*.Hα-helixtrans-63.7-45.6175.6-171.4-169.216100111.8A59 K60 V61 E65 E66 K67A59-E63 PolarHBondContact O-N 2.79Å; K60-E63 PolarHBondContact O-N 3.05Å; V61-E63 VanDerWaalsContact C-N 3.31Å; V61-E63 PolarHBondContact O-N 2.94Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.93Å; E63-E66 PolarHBondContact O-N 2.82Å; E63-K67 WeakPolarHBondContact O-CB 3.44Å; E63-K67 PolarHBondContact O-N 3.38Å
64L93.3Very high93.1Very high115 Ų115105 Ų10560%0.60253%0.526SS*.Hα-helixtrans-64.5-39.2178.1-75.8173.1000112.3K60 V61 K67 C68K60-L64 WeakPolarHBondContact O-CB 3.23Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.31Å; V61-L64 PolarHBondContact O-N 3.43Å; L64-K67 PolarHBondContact O-N 2.6Å; L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 2.65Å
65E92.3Very high93Very high97 Ų97107.5 Ų107.545%0.45353%0.533SS..Hα-helixtrans-63-43.4174.2-75-179.5-179.100111.9V61 R62 E63 K67 C68 R69V61-E65 HydrophobicContact CG1-CG 4.35Å; V61-E65 WeakPolarHBondContact O-CG 3.23Å; V61-E65 PolarHBondContact O-N 3.32Å; R62-E65 PolarHBondContact O-N 3.04Å; E63-E65 VanDerWaalsContact C-N 3.35Å; E63-E65 PolarHBondContact O-N 2.93Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.14Å; E65-C68 PolarHBondContact O-N 3.13Å; E65-R69 WeakPolarHBondContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 3.03Å; E65-R69 IonicContact OE2-NH1 3.84Å; E65-R69 PolarHBondContact OE2-NH1 2.85Å
66E94.9Very high93Very high116 Ų116106.7 Ų106.754%0.54253%0.529SS..Hα-helixtrans-63.1-40176.6-173.2173.6-175.300111.7R62 E63 R69 S70R62-E66 PolarHBondContact O-N 2.79Å; E63-E66 PolarHBondContact O-N 2.82Å; E66-R69 PolarHBondContact O-N 3.14Å; E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 3.27Å; E66-S70 PolarHBondContact O-OG 2.88Å
67K93.9Very high92.9Very high147 Ų147109.6 Ų109.664%0.63954%0.539SS*.Hα-helixtrans-64-40.9174.4-165.6172.3-173.7170.40112.1E63 L64 E65 S70 Q71E63-K67 WeakPolarHBondContact O-CB 3.44Å; E63-K67 PolarHBondContact O-N 3.38Å; L64-K67 PolarHBondContact O-N 2.6Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 3.14Å; K67-S70 PolarHBondContact O-N 3.05Å; K67-Q71 WeakPolarHBondContact O-CB 3.49Å; K67-Q71 PolarHBondContact O-N 3.07Å
68C91.8Very high92.7Very high78 Ų78109.1 Ų109.153%0.52754%0.538SS..Hα-helixtrans-66.4-42.8176-170.80000111.8L64 E65 Q71 S72L64-C68 WeakPolarHBondContact O-CB 3.49Å; L64-C68 PolarHBondContact O-N 2.65Å; E65-C68 PolarHBondContact O-N 3.13Å; C68-Q71 PolarHBondContact O-N 3.02Å; C68-S72 WeakPolarHBondContact O-CB 3.26Å; C68-S72 PolarHBondContact O-N 2.99Å
69R92.8Very high92.6Very high130 Ų130106.5 Ų106.549%0.49153%0.531SS..Hα-helixtrans-57.4-49.8173.5-76.3-172.6-71.1-99.2-0.9111E65 E66 Q71 S72 E73E65-R69 WeakPolarHBondContact O-CB 3.31Å; E65-R69 WeakPolarHBondContact O-CG 3.33Å; E65-R69 PolarHBondContact O-N 3.03Å; E65-R69 IonicContact OE2-NH1 3.84Å; E65-R69 PolarHBondContact OE2-NH1 2.85Å; E66-R69 PolarHBondContact O-N 3.14Å; R69-Q71 VanDerWaalsContact C-N 3.34Å; R69-Q71 PolarHBondContact O-N 3.16Å; R69-S72 WeakPolarHBondContact O-CB 3.29Å; R69-S72 PolarHBondContact O-N 2.91Å; R69-S72 VanDerWaalsContact O-N 3.17Å; R69-E73 WeakPolarHBondContact O-CG 3.22Å; R69-E73 PolarHBondContact O-N 3.04Å
70S92.9Very high92.3Very high54 Ų54110.5 Ų110.538%0.37854%0.538SS..Hα-helixtrans-59.7-43.1178-58.10000112.3E66 K67 S72 E73 Q74E66-S70 WeakPolarHBondContact O-CB 3.43Å; E66-S70 PolarHBondContact O-N 3.27Å; E66-S70 PolarHBondContact O-OG 2.88Å; K67-S70 PolarHBondContact O-N 3.05Å; S70-S72 PolarHBondContact O-N 3.43Å; S70-E73 PolarHBondContact O-N 3.07Å; S70-Q74 WeakPolarHBondContact O-CG 3.42Å; S70-Q74 PolarHBondContact O-N 3.16Å
71Q91.6Very high92.1Very high131 Ų131108.4 Ų108.461%0.61253%0.53SS*.Hα-helixtrans-65.6-38.9177.2-169.5178.92500112.2K67 C68 R69 E73 Q74 F75K67-Q71 WeakPolarHBondContact O-CB 3.49Å; K67-Q71 PolarHBondContact O-N 3.07Å; C68-Q71 PolarHBondContact O-N 3.02Å; R69-Q71 VanDerWaalsContact C-N 3.34Å; R69-Q71 PolarHBondContact O-N 3.16Å; Q71-E73 VanDerWaalsContact C-N 3.34Å; Q71-Q74 PolarHBondContact O-N 3.16Å; Q71-F75 PolarHBondContact O-N 2.96Å
72S93Very high91.7Very high74 Ų74110.3 Ų110.352%0.51754%0.537SS..Hα-helixtrans-64-39.9175.5-178.50000111.7C68 R69 S70 F75 N76C68-S72 WeakPolarHBondContact O-CB 3.26Å; C68-S72 PolarHBondContact O-N 2.99Å; R69-S72 WeakPolarHBondContact O-CB 3.29Å; R69-S72 PolarHBondContact O-N 2.91Å; R69-S72 VanDerWaalsContact O-N 3.17Å; S70-S72 PolarHBondContact O-N 3.43Å; S72-F75 PolarHBondContact O-N 3.06Å; S72-N76 WeakPolarHBondContact O-CB 2.93Å; S72-N76 PolarHBondContact O-N 3.42Å
73E93.1Very high91.3Very high138 Ų138107.8 Ų107.865%0.64553%0.532SS*.Hα-helixtrans-62.9-42.6174.1-71.9176.7-17900112R69 S70 Q71 F75 N76 L77R69-E73 WeakPolarHBondContact O-CG 3.22Å; R69-E73 PolarHBondContact O-N 3.04Å; S70-E73 PolarHBondContact O-N 3.07Å; Q71-E73 VanDerWaalsContact C-N 3.34Å; E73-F75 PolarHBondContact O-N 3.19Å; E73-N76 WeakPolarHBondContact O-CB 3.35Å; E73-N76 PolarHBondContact O-N 2.76Å; E73-L77 PolarHBondContact O-N 2.87Å
74Q92.6Very high90.7Very high138 Ų138108.6 Ų108.665%0.64553%0.534SS*.Hα-helixtrans-60.9-44174.4-72.4-174.8-19.600112.1S70 Q71 N76 L77 L78S70-Q74 WeakPolarHBondContact O-CG 3.42Å; S70-Q74 PolarHBondContact O-N 3.16Å; Q71-Q74 PolarHBondContact O-N 3.16Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 2.79Å; Q74-L77 PolarHBondContact O-N 2.52Å; Q74-L78 PolarHBondContact O-N 3.49Å
75F91.6Very high90Very high143 Ų143107.7 Ų107.763%0.62753%0.526SS*.Hα-helixtrans-64.3-37.5176.2-175.9-95.7000112.2Q71 S72 E73 L78 S79Q71-F75 PolarHBondContact O-N 2.96Å; S72-F75 PolarHBondContact O-N 3.06Å; E73-F75 PolarHBondContact O-N 3.19Å; F75-L78 PolarHBondContact O-N 3.08Å; F75-S79 WeakPolarHBondContact CE1-OG 2.99Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 2.89Å
76N92.1Very high89.3Confident79 Ų79111.7 Ų111.742%0.42254%0.537SS..Hα-helixtrans-64-43.4175.9-166.7-67000111.4S72 E73 Q74 S79 K80S72-N76 WeakPolarHBondContact O-CB 2.93Å; S72-N76 PolarHBondContact O-N 3.42Å; E73-N76 WeakPolarHBondContact O-CB 3.35Å; E73-N76 PolarHBondContact O-N 2.76Å; Q74-N76 VanDerWaalsContact C-N 3.32Å; Q74-N76 PolarHBondContact O-N 2.79Å; N76-S79 PolarHBondContact O-N 3.38Å; N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.86Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 3.35Å; N76-K80 VanDerWaalsContact OD1-NZ 3.15Å
77L91.6Very high88.4Confident118 Ų118112.5 Ų112.562%0.61854%0.544SS*.Hα-helixtrans-62.4-47177-171.965000111.3E73 Q74 S79 K80 E81E73-L77 PolarHBondContact O-N 2.87Å; Q74-L77 PolarHBondContact O-N 2.52Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.74Å; L77-K80 PolarHBondContact O-N 2.9Å; L77-E81 PolarHBondContact O-N 3.48Å
78L88.9Confident87Confident85 Ų85112 Ų11245%0.44554%0.544SS..Hα-helixtrans-62.3-38.1177.3-170.566.8000111.9Q74 F75 E81 L82 L116Q74-L78 PolarHBondContact O-N 3.49Å; F75-L78 PolarHBondContact O-N 3.08Å; L78-E81 PolarHBondContact O-N 2.89Å; L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 PolarHBondContact O-N 2.99Å; L78-L116 HydrophobicContact CD1-CD2 3.6Å
79S87.7Confident85.4Confident44 Ų44111.9 Ų111.931%0.30855%0.548SS..Hα-helixtrans-63.5-43175.9-63.10000111.9F75 N76 L77 E81 L82 E83F75-S79 WeakPolarHBondContact CE1-OG 2.99Å; F75-S79 WeakPolarHBondContact O-CB 3.39Å; F75-S79 PolarHBondContact O-N 2.95Å; F75-S79 PolarHBondContact O-OG 2.89Å; N76-S79 PolarHBondContact O-N 3.38Å; L77-S79 VanDerWaalsContact C-N 3.29Å; L77-S79 PolarHBondContact O-N 2.74Å; S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 PolarHBondContact O-N 3.12Å; S79-L82 PolarHBondContact O-N 3.36Å; S79-E83 PolarHBondContact O-N 2.53Å
80K88.9Confident83.4Confident138 Ų138109 Ų10960%0.656%0.56SS**Hα-helixtrans-63.3-38.7174.9-74.8172176.2163.10112N76 L77 E83 K84N76-K80 WeakPolarHBondContact O-CG 3.43Å; N76-K80 PolarHBondContact O-N 2.86Å; N76-K80 WeakPolarHBondContact OD1-CE 3.48Å; N76-K80 PolarHBondContact OD1-NZ 3.35Å; N76-K80 VanDerWaalsContact OD1-NZ 3.15Å; L77-K80 PolarHBondContact O-N 2.9Å; K80-E83 PolarHBondContact O-N 2.75Å; K80-K84 PolarHBondContact O-N 3.22Å; K80-K84 VanDerWaalsContact O-N 3.08Å
81E88.9Confident81.2Confident84 Ų84115.2 Ų115.239%0.39358%0.58SS.*Hα-helixtrans-67.1-42.1176.8-167.2165.7-155.500111.5L77 L78 S79 E83 K84 F85L77-E81 PolarHBondContact O-N 3.48Å; L78-E81 PolarHBondContact O-N 2.89Å; S79-E81 VanDerWaalsContact C-N 3.32Å; S79-E81 PolarHBondContact O-N 3.12Å; E81-E83 PolarHBondContact O-N 2.99Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.88Å; E81-F85 HydrophobicContact CG-CD2 4.32Å; E81-F85 HydrophobicContact CG-CE2 3.96Å; E81-F85 WeakPolarHBondContact O-CD2 3.37Å; E81-F85 PolarHBondContact O-N 2.98Å
82L85.8Confident79Confident113 Ų113117.9 Ų117.959%0.59259%0.59SS**Hα-helixtrans-62.3-41.3174.3-170.669.8000112.4L78 S79 K84 F85 R86L78-L82 WeakPolarHBondContact O-CB 3.47Å; L78-L82 PolarHBondContact O-N 2.99Å; S79-L82 PolarHBondContact O-N 3.36Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.35Å; L82-F85 WeakPolarHBondContact O-CB 2.92Å; L82-F85 PolarHBondContact O-N 3.22Å; L82-R86 WeakPolarHBondContact O-CG 3.43Å; L82-R86 PolarHBondContact O-N 2.88Å
83E84.3Confident76.3Confident112 Ų112122.6 Ų122.652%0.52361%0.609SS.*Hα-helixtrans-61.3-40.5175.5-157.687.3-143.600111S79 K80 E81 F85 R86 L87S79-E83 PolarHBondContact O-N 2.53Å; K80-E83 PolarHBondContact O-N 2.75Å; E81-E83 PolarHBondContact O-N 2.99Å; E83-F85 PolarHBondContact O-N 2.73Å; E83-R86 PolarHBondContact O-N 2.83Å; E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 2.79Å
84K83.3Confident74Confident147 Ų147123.4 Ų123.464%0.63962%0.616SS**Hα-helixtrans-62.6-40.3175.5-169.9-177.6177.7-174.70111.9K80 E81 L82 L87 Q88K80-K84 PolarHBondContact O-N 3.22Å; K80-K84 VanDerWaalsContact O-N 3.08Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 2.88Å; L82-K84 VanDerWaalsContact C-N 3.3Å; L82-K84 PolarHBondContact O-N 3.35Å; K84-L87 PolarHBondContact O-N 2.89Å; K84-Q88 WeakPolarHBondContact O-CB 3.18Å; K84-Q88 PolarHBondContact O-N 3.4Å; K84-Q88 VanDerWaalsContact O-N 3.09Å
85F78.2Confident71.5Confident96 Ų96124.8 Ų124.842%0.42163%0.627SS.*Hα-helixtrans-61.9-42172.8-84.6-70.3000112.6E81 L82 E83 Q88 A89 S112E81-F85 HydrophobicContact CG-CD2 4.32Å; E81-F85 HydrophobicContact CG-CE2 3.96Å; E81-F85 WeakPolarHBondContact O-CD2 3.37Å; E81-F85 PolarHBondContact O-N 2.98Å; L82-F85 WeakPolarHBondContact O-CB 2.92Å; L82-F85 PolarHBondContact O-N 3.22Å; E83-F85 PolarHBondContact O-N 2.73Å; F85-Q88 PolarHBondContact O-N 2.8Å; F85-A89 PolarHBondContact O-N 2.86Å; F85-S112 VanDerWaalsContact CZ-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.49Å
86R78.6Confident68.5Low181 Ų181123.1 Ų123.168%0.68363%0.633SS**Hα-helixtrans-64.7-41.5178.2-69-175.372.7120.44.6112.3L82 E83 Q88 A89 G90L82-R86 WeakPolarHBondContact O-CG 3.43Å; L82-R86 PolarHBondContact O-N 2.88Å; E83-R86 PolarHBondContact O-N 2.83Å; R86-Q88 VanDerWaalsContact C-N 3.28Å; R86-Q88 PolarHBondContact O-N 2.91Å; R86-A89 PolarHBondContact O-N 2.76Å; R86-G90 PolarHBondContact O-N 3.18Å; R86-G90 VanDerWaalsContact O-N 3.08Å
87L74.1Confident65.4Low133 Ų133126.1 Ų126.170%0.69666%0.655SS**Hα-helixtrans-65.9-31.8176.8-72.3168000112.4E83 K84E83-L87 WeakPolarHBondContact O-CG 3.49Å; E83-L87 PolarHBondContact O-N 2.79Å; K84-L87 PolarHBondContact O-N 2.89Å
88Q64.5Low62.4Low136 Ų136129 Ų12964%0.63667%0.665SS**Hα-helixtrans-75.9-30.5175.7-164.3162.5-2.900112.7K84 F85 R86K84-Q88 WeakPolarHBondContact O-CB 3.18Å; K84-Q88 PolarHBondContact O-N 3.4Å; K84-Q88 VanDerWaalsContact O-N 3.09Å; F85-Q88 PolarHBondContact O-N 2.8Å; R86-Q88 VanDerWaalsContact C-N 3.28Å; R86-Q88 PolarHBondContact O-N 2.91Å
89A59Low60.4Low75 Ų75129.6 Ų129.662%0.6267%0.674SS**Hα-helixtrans-77.4-25.1175.500000113.8F85 R86 K91F85-A89 PolarHBondContact O-N 2.86Å; R86-A89 PolarHBondContact O-N 2.76Å; A89-K91 PolarHBondContact O-N 3.44Å
90G50.3Low57.8Low71 Ų71135 Ų13573%0.73270%0.698SS**THydrogen-bonded Turntrans-76.23.8179.200000115.9R86R86-G90 PolarHBondContact O-N 3.18Å; R86-G90 VanDerWaalsContact O-N 3.08Å
91K46.9Very low54.7Low184 Ų184135.3 Ų135.380%0.871%0.712SS**THydrogen-bonded Turntrans-106.431.4-179.1-157.5-176.8174.2177.30113.2A89A89-K91 PolarHBondContact O-N 3.44Å
92F45.8Very low52.1Low187 Ų187139.6 Ų139.682%0.8274%0.736SS**  trans-128.794.9169.1-87.6-86000108.7
93D35.9Very low49.4Very low173 Ų173139.5 Ų139.593%0.92575%0.745SS**  trans-103.5130167.8-129.6-10.6000108.7
94I46.2Very low46.7Very low154 Ų154143.2 Ų143.279%0.7976%0.763SS**  trans-94.7113-164.7-67.6165.3000109
95L38.3Very low44.2Very low168 Ų168141.5 Ų141.588%0.8877%0.769SS**  trans-155.4127.8155.9-86.9178.5000111.6
96S28.9Very low42.3Very low107 Ų107142.9 Ų142.975%0.74879%0.788SS**  trans107.499.2166.5-48.20000115.7
97T28.1Very low39.9Very low143 Ų143137.8 Ų137.888%0.87779%0.791SS**  91122.383.3-49.50000113.3
98E28.1Very low37.9Very low178 Ų178135.8 Ų135.883%0.83279%0.789SS**  trans-47.3-179.6-178.6-79.4-149.5158.200119.3
99P46.5Very low36.8Very low97 Ų97135.1 Ų135.163%0.6380%0.796SS**  cis-135.9170.9-3735.4-16.7000114.9
100L32.5Very low35.9Very low158 Ų158137.2 Ų137.283%0.82780%0.797SS**  trans61.5116.3160.1-68.3165.3000121.2
101T25.6Very low35.5Very low144 Ų144142.6 Ų142.688%0.88380%0.8SS**  165.6155.4113.740.40000112.4
102L33.9Very low35.2Very low174 Ų174136 Ų13691%0.91178%0.778SS**  trans-57.3142-174.2-80.7101.5000115.8
103S29.4Very low34.9Very low111 Ų111132.9 Ų132.978%0.77677%0.769SS**  137.3142.4125.3-159.70000114.1
104E25.8Very low35.3Very low190 Ų190128.2 Ų128.289%0.88875%0.749SS**  trans84.7131.3167.8-58.7-159.6138.500120.8
105S32.6Very low35.2Very low112 Ų112128.4 Ų128.478%0.78375%0.747SS**  trans-58.1155.5-178.3-153.20000113.6
106P37.8Very low35.5Very low125 Ų125124 Ų12481%0.81272%0.724SS**  -149.1146.968.333.9-11.3000118.3
107G27.5Very low36.2Very low73 Ų73125.2 Ų125.275%0.75372%0.721SS**  trans72.793.4138.500000118.9
108S33.1Very low37Very low91 Ų91124.9 Ų124.964%0.63671%0.714SS**  trans-69.5142.4165.762.40000112.1N110S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.19Å
109P41.3Very low37.5Very low123 Ų123119.6 Ų119.680%0.79971%0.707SS**SBendtrans-85.763.2-177.736.1-33.8000110.4
110N39Very low37.2Very low119 Ų119122.3 Ų122.364%0.63672%0.716SS**  trans-109.710179.6-87.1-38.9000114.4S108S108-N110 VanDerWaalsContact C-N 3.26Å; S108-N110 PolarHBondContact O-N 3.19Å
111K42.8Very low37.3Very low184 Ų184119 Ų11980%0.871%0.711SS**SBendtrans-91.5-8.6177.6-69.5-171.7178.4-178.60114.9S114K111-S114 PolarHBondContact O-OG 2.95Å
112S40.6Very low37.8Very low46 Ų46116.1 Ų116.132%0.32270%0.702SS.*SBendtrans-91.6-15.8-175.2-162.40000115.3F85F85-S112 VanDerWaalsContact CZ-OG 3.22Å; F85-S112 WeakPolarHBondContact CZ-OG 3.49Å
113L38.7Very low37.8Very low121 Ų121114.1 Ų114.163%0.63470%0.699SS**Hα-helixtrans-89.9-21.2-178.5-75.5169.5000113.2Q115L113-Q115 VanDerWaalsContact C-N 3.34Å
114S44.8Very low38.1Very low74 Ų74116.1 Ų116.152%0.51770%0.7SS.*Hα-helixtrans-76.6-19.317652.10000113.5K111K111-S114 PolarHBondContact O-OG 2.95Å
115Q44.8Very low38.2Very low158 Ų158116.4 Ų116.474%0.73870%0.701SS**Hα-helixtrans-83.6-26.1178.6-125.7161.4-33.300112.9L113L113-Q115 VanDerWaalsContact C-N 3.34Å
116L43.7Very low38.2Very low77 Ų77120.8 Ų120.840%0.40371%0.706SS.*Hα-helixtrans-75.4-26.9178.2-89.1161.4000113.8L78L78-L116 HydrophobicContact CD1-CD2 3.6Å
117L42.8Very low37.6Very low131 Ų131118.3 Ų118.369%0.68670%0.703SS**G310 helixtrans-83.4-11.8-178.7-75.2166.6000114
118N45.9Very low37.6Very low137 Ų137120.1 Ų120.173%0.73370%0.704SS**G310 helixtrans-85.3-5.5177.4-78.6-16.1000114
119G38.5Very low37.3Very low66 Ų66124.9 Ų124.968%0.6872%0.716SS**G310 helixtrans-87.40.7179.900000115.8
120L40.1Very low36.7Very low155 Ų155122.5 Ų122.581%0.81271%0.714SS**G310 helixtrans-100.17.6-175.5-73.9170.9000114.6
121A35.6Very low36.8Very low88 Ų88122.6 Ų122.673%0.72772%0.721SS**  trans-94.8110.8174.200000110.6
122A36Very low36.1Very low84 Ų84119.7 Ų119.769%0.69472%0.719SS**  trans-62.4146.8164.500000110.1I124A122-I124 PolarHBondContact O-N 2.88Å
123P33.7Very low35.5Very low131 Ų131122.2 Ų122.285%0.85174%0.737SS**  trans-71.9120.2174.612.6-1.9000109.7E125P123-E125 PolarHBondContact O-N 3.21Å
124I34.7Very low35.1Very low154 Ų154128 Ų12879%0.7975%0.75SS**  trans-72.1115.2163.9-74.8166.9000107.4A122A122-I124 PolarHBondContact O-N 2.88Å
125E28Very low34.3Very low196 Ų196128.9 Ų128.992%0.91676%0.757SS**  trans-71.3129.8167-140.5177-169.500109P123P123-E125 PolarHBondContact O-N 3.21Å
126K33.2Very low33.7Very low204 Ų204128.3 Ų128.389%0.88776%0.758SS**  trans-115.9123.9-176.5-118.4-169.5-177.9-176.20110.2
127G25Very low32.9Very low73 Ų73131.7 Ų131.775%0.75378%0.775SS**  trans-153.299.3150.900000107.8
128S26.9Very low32.1Very low111 Ų111130 Ų13078%0.77677%0.773SS**  74.7118.8100.9-155.30000111.9
129E28Very low31.4Very low190 Ų190130.7 Ų130.789%0.88877%0.773SS**  cis-149.416429.6-70.1-172.7141.400112.1
130G27.9Very low30.8Very low73 Ų73135.4 Ų135.475%0.75378%0.775SS**  trans-87.4-154.7-177.100000115.8
131P40.6Very low30.2Very low122 Ų122134.5 Ų134.579%0.79277%0.769SS**  cis-141.3176.28.337.6-15.7000118.1
132T28.1Very low29.7Very low122 Ų122141.4 Ų141.475%0.74878%0.776SS**  trans87.1103.2147.92.10000121.3
133S28.8Very low30.1Very low99 Ų99142.2 Ų142.269%0.69278%0.775SS**  139.1117.5100.2640000115.7
134R29.9Very low29.7Very low242 Ų242143.4 Ų143.491%0.91377%0.773SS**  trans54.1146.4135.1-65.5177.9173.5160.9-2.2119.3
135S28.9Very low29.3Very low94 Ų94143.9 Ų143.966%0.65777%0.772SS**  cis177.7139.3-11.6-100.20000106.6
136L31.7Very low29.3Very low146 Ų146141.7 Ų141.776%0.76477%0.765SS**  trans66.5120.2142.9-53.5174.3000123
137I27Very low28.9Very low148 Ų148137.5 Ų137.576%0.75976%0.762SS**  52.4120123.5-49.7168.8000118.2
138S26.1Very low29Very low94 Ų94137.3 Ų137.366%0.65776%0.759SS**  157.2130.2111-156.80000113
139E29.6Very low28.9Very low153 Ų153140.4 Ų140.472%0.71577%0.767SS**  trans19.3134.2143.1-55.6-176.8140.900121.4
140F27.1Very low29.1Very low165 Ų165140.7 Ų140.772%0.72477%0.765SS**  173.3125.1100.4-107.9-96.2000112.3
141I27.9Very low29.1Very low136 Ų136143 Ų14370%0.69777%0.767SS**  trans42114.3136.7-53.7-170.4000121.3
142R25.5Very low28.6Very low232 Ų232145.9 Ų145.988%0.87577%0.77SS**  20.4168.1129.8-82.5-168.5-174.1-160.93.4120.9
143P44.1Very low28.6Very low102 Ų102148.1 Ų148.166%0.66278%0.776SS**  cis-139.3-166.3-5040.1-19.3000112.4
144L23.6Very low28.4Very low155 Ų155151.2 Ų151.281%0.81278%0.784SS**  trans107.2111.2167.5-63.2156000115.1
145Q27.8Very low28.2Very low165 Ų165144.5 Ų144.577%0.77177%0.774SS**  60.8116.589.3-71.2-101.6-9.200110.8
146I26.5Very low28Very low149 Ų149146.5 Ų146.576%0.76478%0.783SS**  cis-165.3155.437.2-75127.4000108.5
147S25.4Very low27.7Very low117 Ų117147.8 Ų147.882%0.81878%0.782SS**  trans127.9123.1138.2-159.20000116
148G26.7Very low27.6Very low68 Ų68146 Ų14670%0.70178%0.78SS**  trans94.6110.5140.200000118.5
149D26.8Very low27.7Very low176 Ų176147.1 Ų147.194%0.94178%0.783SS**  trans72.1125.1159.4-78.3-9.9000121.3
150K30.3Very low27.5Very low197 Ų197149 Ų14986%0.85779%0.789SS**  trans-139.1124.4-171.9-166.5-177.1-169.8-179.30108.8
151P29.5Very low27.5Very low121 Ų121149.3 Ų149.379%0.78680%0.798SS**  trans-89.7141.5150.16.113000109.7
152E29.5Very low27.5Very low183 Ų183148 Ų14886%0.85580%0.8SS**  trans-52.8147.5170.3-75.3169116.300112.7
153L28.1Very low27.5Very low168 Ų168148.9 Ų148.988%0.8880%0.803SS**  -174.8109.2122.3-90.3-179.8000108.9
154L25.2Very low26.6Very low164 Ų164148.5 Ų148.586%0.85980%0.803SS**  trans-101.3123.3157.8-68.9172.5000105.5
155S24.9Very low26.9Very low101 Ų101152.3 Ų152.371%0.70681%0.807SS**  54.7101.175-176.70000113.4
156V25.6Very low26.8Very low137 Ų137148.8 Ų148.883%0.8381%0.806SS**  trans-161.3105.9136.9-162.30000105.9
157K24.5Very low26.7Very low173 Ų173146.7 Ų146.775%0.75281%0.805SS**  62.910971.7-148.6179.9-171.5178.30114.5
158P25.6Very low26.9Very low111 Ų111146.3 Ų146.372%0.72180%0.802SS**PPolyproline II helixtrans-82.4136165.131.5-27.3000110.1
159T28.1Very low27.7Very low117 Ų117148.8 Ų148.872%0.71881%0.805SS**PPolyproline II helixtrans-99.9116.2174.6-61.70000108.8L161T159-L161 HydrophobicContact CG2-CG 4.41Å
160F24.9Very low27.8Very low192 Ų192145 Ų14584%0.84280%0.798SS**PPolyproline II helixtrans-85.1134.2160.1-76.6-92.1000108.9
161L28.1Very low27.5Very low172 Ų172146.9 Ų146.990%0.90180%0.8SS**  trans-125.6127.3154.8-77.4178.2000109.4T159T159-L161 HydrophobicContact CG2-CG 4.41Å
162S27.6Very low27.4Very low107 Ų107145 Ų14575%0.74880%0.795SS**  trans-91.2148.8-177170.60000110.9
163R25Very low27.1Very low251 Ų251146.2 Ų146.295%0.94780%0.798SS**  trans-154.4138.8145-153.1170.5-167.7172.13.3111.6
164S25.4Very low27.2Very low95 Ų95146.2 Ų146.266%0.66480%0.798SS**  trans-127.7169.5-16439.70000112.8
165R29.6Very low27.2Very low235 Ų235144.3 Ų144.389%0.88780%0.798SS**  trans89.3141165.8-75.1-172.1179.1-176.30.7118.2
166A25.8Very low27.6Very low90 Ų90147.9 Ų147.974%0.74480%0.804SS**  cis-172.1159.8-0.900000114
167S24.6Very low28Very low106 Ų106149.3 Ų149.374%0.74180%0.803SS**  trans104.597.2133.9-158.40000122.5
168S28.9Very low28.3Very low109 Ų109147.8 Ų147.876%0.76280%0.803SS**  66.1161.5117.7-62.40000124
169P44Very low28.9Very low119 Ų119151.4 Ų151.477%0.77381%0.808SS**  cis-143.8175.1-18.532.2-9.6000118.5
170A28Very low29Very low96 Ų96154.9 Ų154.979%0.79382%0.816SS**  trans79.3136.5147.900000119
171R25.6Very low29.3Very low238 Ų238152.9 Ų152.990%0.89881%0.813SS**  cis-163.5142.446-151172.9-171.4162.60.7111.4
172A26.2Very low29.4Very low82 Ų82149.7 Ų149.768%0.67881%0.805SS**  trans-76.3158.5175.900000113.2
173F24.2Very low29.4Very low208 Ų208149.8 Ų149.891%0.91281%0.806SS**  -162.8136.7123.1-97.2-70.7000111.4
174L28.3Very low29.5Very low168 Ų168143.9 Ų143.988%0.8880%0.798SS**  trans-83.7151.2175.6-71.2159.9000111.2
175S26.4Very low29.6Very low123 Ų123146.5 Ų146.586%0.8681%0.81SS**  trans-163.9118136.1-169.70000111
176E33.8Very low29.9Very low176 Ų176145.3 Ų145.382%0.82281%0.806SS**  trans-68.9145.4161-70.3164117.500110.5
177M34.1Very low30.1Very low167 Ų167145.9 Ų145.982%0.82380%0.804SS**  164.9126.4102.4-112.3178.467.500112.4
178D30.1Very low30.5Very low141 Ų141150.6 Ų150.675%0.75481%0.811SS**  trans79.5141.3133.6-128-5.7000124.7
179K38.4Very low30.8Very low188 Ų188149.9 Ų149.982%0.81780%0.804SS**  trans-78.9141178.6-68.8170.6170.8-178.60111
180E29.2Very low30.9Very low189 Ų189154.7 Ų154.788%0.88381%0.807SS**  -173.1166120.8-107.5-166.7173.500112.7
181L32Very low32Very low151 Ų151154 Ų15479%0.79179%0.786SS**  trans-74.4147.9-155-81.1110.4000117.3
182S29.3Very low33.2Very low104 Ų104148.7 Ų148.773%0.72778%0.78SS**  trans72123.8138.865.60000122.2
183S27.8Very low34.8Very low109 Ų109146.6 Ų146.676%0.76277%0.766SS**  trans95.2115.7155.7750000118.5
184T28.3Very low37.2Very low127 Ų127144.6 Ų144.678%0.77976%0.757SS**  trans76.591.8160.6370000120.2
185T26.8Very low39.9Very low151 Ų151140.4 Ų140.493%0.92674%0.738SS**  -148.874117.7-1.30000110.4
186R35.2Very low42.8Very low210 Ų210138.2 Ų138.279%0.79271%0.711SS**  trans-63.8143.9155.3-178.2177.5179.21761108
187S31.3Very low45.5Very low101 Ų101132.8 Ų132.871%0.70669%0.688SS**  trans97.598.8164.377.30000118.2
188K32.7Very low48.2Very low205 Ų205124.9 Ų124.989%0.89165%0.649SS**  -114.5124104.8-80.8-177.5178.3175.70108R190K188-R190 PolarHBondContact O-N 3.32Å
189P35.9Very low51.2Low94 Ų94119.7 Ų119.761%0.6162%0.622SS**  trans-73.2123.4174.930.8-28.5000107.6F191P189-F191 VanDerWaalsContact C-N 3.27Å
190R45.3Very low53.8Low221 Ų221110.9 Ų110.983%0.83458%0.584SS**  trans-89.21.2157-70.8-165.9-166160.53.9112.6K188 T192K188-R190 PolarHBondContact O-N 3.32Å; R190-T192 PolarHBondContact O-N 3.39Å; R190-T192 VanDerWaalsContact O-N 3.14Å
191F51.5Low56.6Low81 Ų81108.2 Ų108.236%0.35557%0.566SS.*  trans-90.474.1178.7-63.8-90.1000110.2P189 Y229 E239P189-F191 VanDerWaalsContact C-N 3.27Å; F191-Y229 HydrophobicContact CD1-CD1 4.45Å; F191-Y229 AromaticContact CD1-CD2 3.96Å; F191-Y229 HydrophobicContact CD1-CD2 3.96Å; F191-Y229 AromaticContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CE1-CD2 4.16Å; F191-Y229 HydrophobicContact CE1-CG 4.44Å; F191-E239 HydrophobicContact CD1-CB 4.4Å; F191-E239 VanDerWaalsContact CD1-OE2 3.24Å; F191-E239 WeakPolarHBondContact CD1-OE2 3.48Å; F191-E239 HydrophobicContact CE1-CB 3.76Å; F191-E239 HydrophobicContact CE1-CG 4.41Å; F191-E239 WeakPolarHBondContact CE1-OE2 3.43Å
192T50.4Low59.3Low126 Ų126107 Ų10777%0.77355%0.552SS**  trans-111.898.2166.954.80000108.2R190R190-T192 PolarHBondContact O-N 3.39Å; R190-T192 VanDerWaalsContact O-N 3.14Å
193G60.2Low62.1Low38 Ų38105.8 Ų105.839%0.39254%0.543SS..SBendtrans-173.7160.4-179.600000111.7V195G193-V195 PolarHBondContact O-N 3.44Å
194K75.3Confident64.9Low167 Ų167102.4 Ų102.473%0.72651%0.514SS*.  trans-60.6121.7175.4-174.1175.7-179.9177.50109.2R196 G230K194-R196 HydrophobicContact CG-CG 4.3Å; K194-G230 PolarHBondContact O-N 2.95Å
195V83.4Confident67.7Low79 Ų7999.4 Ų99.448%0.47949%0.493SS..EExtended strand (participates in β ladder)trans-76.8132.8173.4-170.70000108.4G193 Y227 V228 Y229G193-V195 PolarHBondContact O-N 3.44Å; V195-Y227 HydrophobicContact CG1-CD1 4.05Å; V195-V228 WeakPolarHBondContact CA-O 3.39Å; V195-Y229 HydrophobicContact CB-CD1 4.44Å; V195-Y229 HydrophobicContact CB-CE1 4.42Å; V195-Y229 HydrophobicContact CG1-CD1 4.3Å; V195-Y229 HydrophobicContact CG1-CE1 3.99Å; V195-Y229 HydrophobicContact CG2-CD1 3.66Å; V195-Y229 HydrophobicContact CG2-CE1 3.62Å
196R88.4Confident70.5Confident77 Ų7792.3 Ų92.329%0.29145%0.449SS..EExtended strand (participates in β ladder)trans-133.5135.5177.6-66.2177.8-77.2168.1-0.7109.9K194 V228 G230 F257K194-R196 HydrophobicContact CG-CG 4.3Å; R196-V228 PolarHBondContact N-O 3.04Å; R196-V228 PolarHBondContact O-N 2.82Å; R196-G230 PolarHBondContact NH2-O 2.84Å; R196-F257 HydrophobicContact CB-CD1 3.66Å; R196-F257 HydrophobicContact CB-CE1 3.74Å; R196-F257 HydrophobicContact CG-CD1 4.43Å; R196-F257 HydrophobicContact CG-CE1 4.45Å
197L90.9Very high72.6Confident63 Ų6389.6 Ų89.633%0.3344%0.44SS..EExtended strand (participates in β ladder)trans-79.7131.1175.1-171.968.1000109.6Y225 Y227 V258L197-Y225 HydrophobicContact CD1-CD1 4.49Å; L197-Y225 HydrophobicContact CD2-CD1 4.12Å; L197-Y225 HydrophobicContact CG-CD1 4.17Å; L197-Y227 HydrophobicContact CD1-CD1 3.94Å; L197-Y227 HydrophobicContact CD1-CE1 3.67Å; L197-V258 HydrophobicContact CD2-CG2 4.41Å; L197-V258 HydrophobicContact CG-CG2 4.3Å; L197-V258 PolarHBondContact O-N 3.17Å
198C90.4Very high74.9Confident0 Ų091.3 Ų91.30%044%0.441CS..EExtended strand (participates in β ladder)trans-125.4155176.8-530000110.5Y225 L226 V228 V255 E256 F257C198-Y225 CarbonylContact O-C 3.49Å; C198-Y225 VanDerWaalsContact O-CA 3.24Å; C198-Y225 WeakPolarHBondContact O-CA 3.1Å; C198-L226 HydrophobicContact CB-CD2 4.41Å; C198-L226 HydrophobicContact CB-CG 4.32Å; C198-L226 PolarHBondContact N-O 3.23Å; C198-L226 PolarHBondContact O-N 3.46Å; C198-V228 HydrophobicContact CB-CG2 4.42Å; C198-V255 HydrophobicContact CB-CB 4.12Å; C198-E256 CarbonylContact C-O 3.5Å; C198-E256 WeakPolarHBondContact CA-O 3.23Å; C198-F257 WeakPolarHBondContact SG-CD1 3.36Å; C198-F257 WeakPolarHBondContact SG-CE1 3.23Å
199V92.8Very high76.4Confident33 Ų3383.3 Ų83.320%0.242%0.417CS..EExtended strand (participates in β ladder)trans-109.9135.116764.30000109.4R201 K224 Y225 V255 E256V199-R201 PolarHBondContact O-N 3.44Å; V199-K224 WeakPolarHBondContact CA-O 3.18Å; V199-Y225 HydrophobicContact CB-CD1 4.1Å; V199-Y225 HydrophobicContact CB-CE1 4.09Å; V199-Y225 HydrophobicContact CG2-CE1 4.41Å; V199-V255 CarbonylContact O-C 3.49Å; V199-V255 WeakPolarHBondContact O-CA 3.12Å; V199-E256 HydrophobicContact CG1-CB 4.04Å; V199-E256 PolarHBondContact N-O 2.77Å; V199-E256 PolarHBondContact O-N 2.86Å
200A92.6Very high77.3Confident2 Ų285.2 Ų85.22%0.01743%0.43CS..EExtended strand (participates in β ladder)trans-70.8120.917300000109.9L220 V221 A222 G223 K224 L226 F254A200-L220 HydrophobicContact CB-CB 3.96Å; A200-V221 WeakPolarHBondContact CB-O 3.48Å; A200-A222 CarbonylContact O-C 3.49Å; A200-A222 WeakPolarHBondContact O-CA 3.15Å; A200-G223 PolarHBondContact O-N 2.93Å; A200-K224 PolarHBondContact N-O 2.97Å; A200-L226 HydrophobicContact CB-CD2 4.18Å; A200-F254 CarbonylContact C-O 3.58Å; A200-F254 WeakPolarHBondContact CA-O 3.42Å
201R88.8Confident78.6Confident134 Ų13477.1 Ų77.151%0.50640%0.403SS..SBendtrans-75.2-31.9178.4-61.4-171.376.3-176.7-0.7112.4V199 F254 E256V199-R201 PolarHBondContact O-N 3.44Å; R201-F254 PolarHBondContact N-O 2.88Å; R201-E256 HydrophobicContact CG-CB 3.75Å; R201-E256 IonicContact CZ-OE2 3.34Å; R201-E256 IonicContact NE-OE2 2.92Å; R201-E256 PolarHBondContact NE-OE2 2.86Å
202Y87.5Confident79.4Confident126 Ų12681.8 Ų81.849%0.49443%0.426SS..SBendtrans-135154.5-177.5-53.1-71.2000109.7F254Y202-F254 HydrophobicContact CD2-CD1 4.43Å
203S88.8Confident80.7Confident77 Ų7781 Ų8154%0.53841%0.413SS..  trans-75.2137.6169.7-58.80000108.9L220 A222S203-L220 CarbonylContact C-O 3.52Å; S203-L220 VanDerWaalsContact CA-O 3.25Å; S203-L220 WeakPolarHBondContact CA-O 3.38Å; S203-A222 PolarHBondContact OG-N 3.21Å
204Y87.3Confident81.7Confident39 Ų3980.3 Ų80.315%0.15340%0.402CS..BIsolated β-bridgetrans-134.5127.8-178.7179.6-115.9000109.1P206 N211 E217 P219 L220 P251 F254Y204-P206 HydrophobicContact CD1-CG 4.19Å; Y204-P206 HydrophobicContact CE1-CB 4.31Å; Y204-P206 HydrophobicContact CE1-CG 3.81Å; Y204-N211 PolarHBondContact OH-ND2 2.71Å; Y204-E217 HydrophobicContact CE1-CB 4.48Å; Y204-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y204-E217 VanDerWaalsContact CZ-OE2 3.26Å; Y204-E217 PolarHBondContact OH-OE2 2.81Å; Y204-P219 CarbonylContact O-C 3.58Å; Y204-P219 WeakPolarHBondContact O-CA 3.36Å; Y204-L220 HydrophobicContact CD1-CG 4.45Å; Y204-L220 PolarHBondContact N-O 3.46Å; Y204-L220 PolarHBondContact O-N 2.77Å; Y204-P251 HydrophobicContact CD1-CG 3.89Å; Y204-P251 HydrophobicContact CE1-CG 3.82Å; Y204-P251 HydrophobicContact CG-CG 4.32Å; Y204-F254 HydrophobicContact CD2-CD1 4.29Å; Y204-F254 AromaticContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE2 4.45Å; Y204-F254 AromaticContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CG-CD1 4.31Å; Y204-F254 HydrophobicContact CG-CE1 4.34Å
205N86.9Confident82Confident64 Ų6478.5 Ų78.534%0.34240%0.396SS..  trans-118.5111173-179.111.3000107.9Y207 D208N205-Y207 PolarHBondContact O-N 3Å; N205-Y207 PolarHBondContact OD1-N 3.21Å; N205-D208 HydrophobicContact CB-CB 4.27Å; N205-D208 VanDerWaalsContact CB-OD2 3.3Å; N205-D208 WeakPolarHBondContact CB-OD2 3.22Å; N205-D208 PolarHBondContact ND2-OD1 2.89Å; N205-D208 PolarHBondContact ND2-OD2 2.82Å; N205-D208 VanDerWaalsContact ND2-OD2 3.13Å; N205-D208 PolarHBondContact O-N 3.37Å; N205-D208 VanDerWaalsContact O-N 3.09Å
206P84.8Confident81.9Confident1 Ų176.6 Ų76.61%0.00639%0.389CS..G310 helixtrans-55-23.5-179.9-2733.5000114.2Y204 P214 E217Y204-P206 HydrophobicContact CD1-CG 4.19Å; Y204-P206 HydrophobicContact CE1-CB 4.31Å; Y204-P206 HydrophobicContact CE1-CG 3.81Å; P206-P214 HydrophobicContact CB-CB 3.92Å; P206-P214 WeakPolarHBondContact CB-O 3.43Å; P206-E217 HydrophobicContact CB-CB 4Å; P206-E217 HydrophobicContact CG-CB 3.82Å
207Y79.3Confident81.9Confident154 Ų15474 Ų7460%0.60438%0.38SS*.G310 helixtrans-87.2-7.2-177.7-61.6-83.2000114.7N205 P214N205-Y207 PolarHBondContact O-N 3Å; N205-Y207 PolarHBondContact OD1-N 3.21Å; Y207-P214 HydrophobicContact CD1-CB 3.7Å; Y207-P214 HydrophobicContact CD1-CG 3.85Å; Y207-P214 HydrophobicContact CE1-CB 3.65Å; Y207-P214 HydrophobicContact CE1-CG 3.66Å; Y207-P214 HydrophobicContact CG-CB 4.18Å
208D79.9Confident81.8Confident136 Ų13671.1 Ų71.173%0.72737%0.365SS*.G310 helixtrans-89.6-0.9-178.3-71.8-14.8000113.3N205N205-D208 HydrophobicContact CB-CB 4.27Å; N205-D208 VanDerWaalsContact CB-OD2 3.3Å; N205-D208 WeakPolarHBondContact CB-OD2 3.22Å; N205-D208 PolarHBondContact ND2-OD1 2.89Å; N205-D208 PolarHBondContact ND2-OD2 2.82Å; N205-D208 VanDerWaalsContact ND2-OD2 3.13Å; N205-D208 PolarHBondContact O-N 3.37Å; N205-D208 VanDerWaalsContact O-N 3.09Å
209G64.4Low81.7Confident37 Ų3773.6 Ų73.638%0.38138%0.381SS..SBendtrans-124.5174.3-178.300000113.7N211G209-N211 PolarHBondContact O-N 3.4Å
210P55.3Low81.6Confident135 Ų13572.3 Ų72.388%0.87737%0.373SS*.  trans-79.441.3177.837.5-36.8000111.7
211N71.1Confident81.5Confident50 Ų5075.3 Ų75.327%0.26739%0.391SS..  trans-72.2133.8-176.3-69.419.4000109.7Y204 G209 H213 E217Y204-N211 PolarHBondContact OH-ND2 2.71Å; G209-N211 PolarHBondContact O-N 3.4Å; N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.44Å; N211-E217 VanDerWaalsContact ND2-CD 3.34Å; N211-E217 PolarHBondContact ND2-OE1 2.91Å; N211-E217 PolarHBondContact ND2-OE2 2.77Å
212E69.4Low81.6Confident179 Ų17971.3 Ų71.384%0.83639%0.386SS*.SBendtrans-72.7-24.7-179.4-64.6-170.7156.700112.4
213H77Confident81.5Confident110 Ų11067.7 Ų67.751%0.50939%0.388SS..  trans-14166.9-178.6-65.6-62.4000113.1N211 E215 A216N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.44Å; H213-E215 IonicContact CG-OE1 3.98Å; H213-E215 IonicContact ND1-OE1 2.94Å; H213-E215 PolarHBondContact ND1-OE1 2.82Å; H213-E215 PolarHBondContact O-N 2.83Å; H213-E215 VanDerWaalsContact O-N 3.16Å; H213-A216 HydrophobicContact CB-CB 4.22Å; H213-A216 PolarHBondContact O-N 2.84Å; H213-A216 VanDerWaalsContact O-N 3.08Å
214P80.9Confident81.6Confident24 Ų2469.7 Ų69.716%0.15639%0.387CS..G310 helixtrans-60.9-23.9-17927.5-36.4000113.5P206 Y207 A216 E217P206-P214 HydrophobicContact CB-CB 3.92Å; P206-P214 WeakPolarHBondContact CB-O 3.43Å; Y207-P214 HydrophobicContact CD1-CB 3.7Å; Y207-P214 HydrophobicContact CD1-CG 3.85Å; Y207-P214 HydrophobicContact CE1-CB 3.65Å; Y207-P214 HydrophobicContact CE1-CG 3.66Å; Y207-P214 HydrophobicContact CG-CB 4.18Å; P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.83Å; P214-E217 PolarHBondContact O-N 3.39Å
215E81.4Confident81.8Confident128 Ų12873.4 Ų73.460%0.59840%0.401SS*.G310 helixtrans-70.3-18176.468.8-79.7-17500114.5H213H213-E215 IonicContact CG-OE1 3.98Å; H213-E215 IonicContact ND1-OE1 2.94Å; H213-E215 PolarHBondContact ND1-OE1 2.82Å; H213-E215 PolarHBondContact O-N 2.83Å; H213-E215 VanDerWaalsContact O-N 3.16Å
216A81.7Confident82.1Confident40 Ų4070.4 Ų70.433%0.33139%0.385SS..G310 helixtrans-87.8-15.4178.800000112.6H213 P214 G248 L249H213-A216 HydrophobicContact CB-CB 4.22Å; H213-A216 PolarHBondContact O-N 2.84Å; H213-A216 VanDerWaalsContact O-N 3.08Å; P214-A216 VanDerWaalsContact C-N 3.27Å; P214-A216 PolarHBondContact O-N 2.83Å; A216-G248 CarbonylContact O-C 3.56Å; A216-G248 WeakPolarHBondContact O-CA 3.49Å; A216-L249 HydrophobicContact CB-CD1 4.49Å; A216-L249 PolarHBondContact O-N 3.32Å
217E88.7Confident82.4Confident23 Ų2374.9 Ų74.911%0.10740%0.403CS..BIsolated β-bridgetrans-104.4151.6-174.6-67.3179.5-126.900112.7Y204 P206 N211 P214 F237 L249Y204-E217 HydrophobicContact CE1-CB 4.48Å; Y204-E217 WeakPolarHBondContact CE1-OE2 3.37Å; Y204-E217 VanDerWaalsContact CZ-OE2 3.26Å; Y204-E217 PolarHBondContact OH-OE2 2.81Å; P206-E217 HydrophobicContact CB-CB 4Å; P206-E217 HydrophobicContact CG-CB 3.82Å; N211-E217 VanDerWaalsContact ND2-CD 3.34Å; N211-E217 PolarHBondContact ND2-OE1 2.91Å; N211-E217 PolarHBondContact ND2-OE2 2.77Å; P214-E217 PolarHBondContact O-N 3.39Å; E217-F237 HydrophobicContact CG-CE1 4.2Å; E217-L249 CarbonylContact C-O 3.53Å; E217-L249 WeakPolarHBondContact CA-O 3.15Å; E217-L249 HydrophobicContact CG-CB 4.13Å
218L88.4Confident83Confident2 Ų267.6 Ų67.61%0.0137%0.374CS..PPolyproline II helixtrans-90.3132.2-179.9-74.2175.5000112.3L220 G240 L242 Q246 L249 V250L218-L220 HydrophobicContact CB-CD2 4.39Å; L218-L220 PolarHBondContact O-N 2.67Å; L218-G240 VanDerWaalsContact CD1-C 3.45Å; L218-G240 VanDerWaalsContact CD1-O 3.27Å; L218-G240 WeakPolarHBondContact CD1-O 3.28Å; L218-L242 HydrophobicContact CB-CD1 4.5Å; L218-L242 HydrophobicContact CB-CG 4.47Å; L218-L242 HydrophobicContact CD1-CG 4.19Å; L218-L242 HydrophobicContact CD2-CD1 4.02Å; L218-L242 HydrophobicContact CD2-CG 4.16Å; L218-Q246 HydrophobicContact CD2-CB 4.05Å; L218-Q246 HydrophobicContact CD2-CG 3.71Å; L218-L249 PolarHBondContact N-O 3.12Å; L218-V250 HydrophobicContact CB-CG2 4.25Å; L218-V250 HydrophobicContact CD1-CG2 3.73Å; L218-V250 HydrophobicContact CG-CG2 4.44Å
219P89.6Confident83.3Confident52 Ų5263 Ų6334%0.33835%0.347SS..PPolyproline II helixtrans-68.8121.2169.228.9-32.4000109.9Y204 L242Y204-P219 CarbonylContact O-C 3.58Å; Y204-P219 WeakPolarHBondContact O-CA 3.36Å; P219-L242 HydrophobicContact CG-CD1 4.29Å
220L90.4Very high84.1Confident5 Ų562.1 Ų62.13%0.02634%0.337CS..BIsolated β-bridgetrans-100145179-50.6176.1000110A200 S203 Y204 L218 L226 L242 V250 P251 F254 V255A200-L220 HydrophobicContact CB-CB 3.96Å; S203-L220 CarbonylContact C-O 3.52Å; S203-L220 VanDerWaalsContact CA-O 3.25Å; S203-L220 WeakPolarHBondContact CA-O 3.38Å; Y204-L220 HydrophobicContact CD1-CG 4.45Å; Y204-L220 PolarHBondContact N-O 3.46Å; Y204-L220 PolarHBondContact O-N 2.77Å; L218-L220 HydrophobicContact CB-CD2 4.39Å; L218-L220 PolarHBondContact O-N 2.67Å; L220-L226 HydrophobicContact CD2-CD1 4.09Å; L220-L226 HydrophobicContact CD2-CD2 4.28Å; L220-L242 HydrophobicContact CD2-CD2 4.44Å; L220-V250 HydrophobicContact CD1-CG1 4.17Å; L220-V250 HydrophobicContact CD2-CG1 4.31Å; L220-P251 HydrophobicContact CD1-CG 4.32Å; L220-F254 HydrophobicContact CD1-CB 3.6Å; L220-V255 HydrophobicContact CD1-CG1 3.91Å
221V89.1Confident85.1Confident66 Ų6661.6 Ų61.640%0.433%0.332SS..  trans-121.1125.4171.21800000107.5A200 G223 K224A200-V221 WeakPolarHBondContact CB-O 3.48Å; V221-G223 PolarHBondContact O-N 3.02Å; V221-K224 HydrophobicContact CB-CB 4.5Å; V221-K224 HydrophobicContact CB-CD 3.79Å; V221-K224 HydrophobicContact CB-CG 3.93Å; V221-K224 HydrophobicContact CG1-CD 4.27Å; V221-K224 HydrophobicContact CG1-CG 4.21Å; V221-K224 HydrophobicContact CG2-CD 4.31Å; V221-K224 WeakPolarHBondContact O-CB 3.46Å; V221-K224 PolarHBondContact O-N 2.79Å
222A90.9Very high85.7Confident49 Ų4963.7 Ų63.741%0.40534%0.341SS..THydrogen-bonded Turntrans-49.8132.4-179.500000111.2A200 S203 K224A200-A222 CarbonylContact O-C 3.49Å; A200-A222 WeakPolarHBondContact O-CA 3.15Å; S203-A222 PolarHBondContact OG-N 3.21Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.28Å
223G85.8Confident86.3Confident51 Ų5158 Ų5853%0.52632%0.316SS..THydrogen-bonded Turntrans82.1-5-179.200000115.4A200 V221A200-G223 PolarHBondContact O-N 2.93Å; V221-G223 PolarHBondContact O-N 3.02Å
224K91Very high86.3Confident119 Ų11962.3 Ų62.352%0.51734%0.337SS..  trans-84.5146.5174-66.6-162.6-174.2174.70111.8V199 A200 V221 A222V199-K224 WeakPolarHBondContact CA-O 3.18Å; A200-K224 PolarHBondContact N-O 2.97Å; V221-K224 HydrophobicContact CB-CB 4.5Å; V221-K224 HydrophobicContact CB-CD 3.79Å; V221-K224 HydrophobicContact CB-CG 3.93Å; V221-K224 HydrophobicContact CG1-CD 4.27Å; V221-K224 HydrophobicContact CG1-CG 4.21Å; V221-K224 HydrophobicContact CG2-CD 4.31Å; V221-K224 WeakPolarHBondContact O-CB 3.46Å; V221-K224 PolarHBondContact O-N 2.79Å; A222-K224 VanDerWaalsContact C-N 3.31Å; A222-K224 PolarHBondContact O-N 3.28Å
225Y90.9Very high86.2Confident116 Ų11667.6 Ų67.646%0.45536%0.364SS..EExtended strand (participates in β ladder)trans-86.7150175.4-61.6-87.6000111.4L197 C198 V199 L243 V258L197-Y225 HydrophobicContact CD1-CD1 4.49Å; L197-Y225 HydrophobicContact CD2-CD1 4.12Å; L197-Y225 HydrophobicContact CG-CD1 4.17Å; C198-Y225 CarbonylContact O-C 3.49Å; C198-Y225 VanDerWaalsContact O-CA 3.24Å; C198-Y225 WeakPolarHBondContact O-CA 3.1Å; V199-Y225 HydrophobicContact CB-CD1 4.1Å; V199-Y225 HydrophobicContact CB-CE1 4.09Å; V199-Y225 HydrophobicContact CG2-CE1 4.41Å; Y225-L243 WeakPolarHBondContact O-CG 3.46Å; Y225-V258 HydrophobicContact CD1-CG2 4.06Å; Y225-V258 HydrophobicContact CE1-CG2 3.81Å
226L93.1Very high86.4Confident1 Ų162.3 Ų62.31%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-148.6157.4173.963.8144.1000110.3C198 A200 L220 V228 E241 L242 V250 V255C198-L226 HydrophobicContact CB-CD2 4.41Å; C198-L226 HydrophobicContact CB-CG 4.32Å; C198-L226 PolarHBondContact N-O 3.23Å; C198-L226 PolarHBondContact O-N 3.46Å; A200-L226 HydrophobicContact CB-CD2 4.18Å; L220-L226 HydrophobicContact CD2-CD1 4.09Å; L220-L226 HydrophobicContact CD2-CD2 4.28Å; L226-V228 HydrophobicContact CD1-CG2 4.2Å; L226-E241 WeakPolarHBondContact CB-O 3.33Å; L226-L242 HydrophobicContact CB-CD2 4.3Å; L226-V250 HydrophobicContact CD1-CB 4.21Å; L226-V250 HydrophobicContact CD1-CG1 3.63Å; L226-V250 HydrophobicContact CD1-CG2 3.55Å; L226-V255 HydrophobicContact CD1-CG1 4.24Å; L226-V255 HydrophobicContact CD2-CG1 3.93Å
227Y91.9Very high86.7Confident96 Ų9662.8 Ų62.838%0.37634%0.338SS..EExtended strand (participates in β ladder)trans-92.7137.8174-62.6-74.2000109.9V195 L197 G240 E241 L243V195-Y227 HydrophobicContact CG1-CD1 4.05Å; L197-Y227 HydrophobicContact CD1-CD1 3.94Å; L197-Y227 HydrophobicContact CD1-CE1 3.67Å; Y227-G240 CarbonylContact O-C 3.57Å; Y227-G240 WeakPolarHBondContact O-CA 3.29Å; Y227-E241 PolarHBondContact N-O 2.96Å; Y227-E241 PolarHBondContact O-N 3.2Å; Y227-L243 HydrophobicContact CE2-CD2 3.87Å
228V91.8Very high86.8Confident0 Ų063 Ų630%034%0.339CS..EExtended strand (participates in β ladder)trans-117.9134.9172.3162.50000109.1V195 R196 C198 L226 Y238 E239 F257V195-V228 WeakPolarHBondContact CA-O 3.39Å; R196-V228 PolarHBondContact N-O 3.04Å; R196-V228 PolarHBondContact O-N 2.82Å; C198-V228 HydrophobicContact CB-CG2 4.42Å; L226-V228 HydrophobicContact CD1-CG2 4.2Å; V228-Y238 HydrophobicContact CG1-CD1 3.61Å; V228-Y238 HydrophobicContact CG1-CD2 4.42Å; V228-Y238 HydrophobicContact CG1-CE1 4.42Å; V228-Y238 HydrophobicContact CG1-CG 3.62Å; V228-Y238 HydrophobicContact CG2-CG 4.43Å; V228-E239 CarbonylContact C-O 3.54Å; V228-E239 WeakPolarHBondContact CA-O 3.23Å; V228-F257 HydrophobicContact CB-CE1 4.3Å; V228-F257 HydrophobicContact CG1-CE1 4.14Å; V228-F257 HydrophobicContact CG1-CZ 4.33Å
229Y86.6Confident86.8Confident41 Ų4166.5 Ų66.516%0.16136%0.355CS..EExtended strand (participates in β ladder)trans-108.7130.6-179.1-59.5-84000110.2F191 V195 E239 E241F191-Y229 HydrophobicContact CD1-CD1 4.45Å; F191-Y229 AromaticContact CD1-CD2 3.96Å; F191-Y229 HydrophobicContact CD1-CD2 3.96Å; F191-Y229 AromaticContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CD1-CG 3.82Å; F191-Y229 HydrophobicContact CE1-CD2 4.16Å; F191-Y229 HydrophobicContact CE1-CG 4.44Å; V195-Y229 HydrophobicContact CB-CD1 4.44Å; V195-Y229 HydrophobicContact CB-CE1 4.42Å; V195-Y229 HydrophobicContact CG1-CD1 4.3Å; V195-Y229 HydrophobicContact CG1-CE1 3.99Å; V195-Y229 HydrophobicContact CG2-CD1 3.66Å; V195-Y229 HydrophobicContact CG2-CE1 3.62Å; Y229-E239 PolarHBondContact N-O 2.87Å; Y229-E241 HydrophobicContact CE2-CB 3.73Å; Y229-E241 PolarHBondContact OH-OE2 2.93Å
230G80.1Confident86.9Confident18 Ų1864.1 Ų64.119%0.18634%0.339CS..SBendtrans77.2-157.5172.200000114.8K194 R196K194-G230 PolarHBondContact O-N 2.95Å; R196-G230 PolarHBondContact NH2-O 2.84Å
231T77.6Confident87Confident124 Ų12465.1 Ų65.176%0.76134%0.344SS*.  trans-102.3162.4177.851.40000110.5
232M82.6Confident87Confident93 Ų9362.8 Ų62.846%0.45833%0.329SS..  trans-60.9139.1174.5-166.117873.800109.7F237 Y238M232-F237 WeakPolarHBondContact CA-O 3.38Å; M232-Y238 HydrophobicContact CB-CD1 4.11Å; M232-Y238 HydrophobicContact CB-CE1 3.55Å; M232-Y238 HydrophobicContact CG-CE1 4.25Å; M232-Y238 VanDerWaalsContact N-CE1 3.34Å
233D83.8Confident86.8Confident59 Ų5965.9 Ų65.932%0.31634%0.339SS..  trans-77.8176.9172.562.423.4000112.1D235 G236 F237D233-D235 PolarHBondContact O-N 3.47Å; D233-D235 PolarHBondContact OD1-N 3.27Å; D233-D235 VanDerWaalsContact OD1-N 3.15Å; D233-G236 PolarHBondContact O-N 3.21Å; D233-G236 PolarHBondContact OD1-N 3.2Å; D233-F237 PolarHBondContact N-O 3.47Å; D233-F237 PolarHBondContact OD1-N 2.98Å
234E76.1Confident86.6Confident202 Ų20269.2 Ų69.294%0.94434%0.344SS*.THydrogen-bonded Turntrans-64.8-20.2-178.9-62.1-176173.300112.7
235D79.6Confident86.2Confident134 Ų13465.4 Ų65.472%0.71734%0.339SS*.THydrogen-bonded Turntrans-93.6-2.8-179.6-63-48.5000113D233 F237D233-D235 PolarHBondContact O-N 3.47Å; D233-D235 PolarHBondContact OD1-N 3.27Å; D233-D235 VanDerWaalsContact OD1-N 3.15Å; D235-F237 HydrophobicContact CB-CD2 4Å; D235-F237 HydrophobicContact CB-CE2 4.42Å; D235-F237 WeakPolarHBondContact O-CD2 3.45Å
236G84.3Confident86Confident18 Ų1864.5 Ų64.519%0.18634%0.339CS..SBendtrans86.417.4175.900000114.7D233 S252D233-G236 PolarHBondContact O-N 3.21Å; D233-G236 PolarHBondContact OD1-N 3.2Å; G236-S252 WeakPolarHBondContact O-CB 3.18Å; G236-S252 PolarHBondContact O-N 3.48Å; G236-S252 VanDerWaalsContact O-N 3.12Å; G236-S252 PolarHBondContact O-OG 2.87Å
237F88.4Confident85.8Confident49 Ų4970.1 Ų70.122%0.21536%0.36CS..EExtended strand (participates in β ladder)trans-103.4156.6176.4-67-98.2000111.7E217 M232 D233 D235 L249 V250 P251E217-F237 HydrophobicContact CG-CE1 4.2Å; M232-F237 WeakPolarHBondContact CA-O 3.38Å; D233-F237 PolarHBondContact N-O 3.47Å; D233-F237 PolarHBondContact OD1-N 2.98Å; D235-F237 HydrophobicContact CB-CD2 4Å; D235-F237 HydrophobicContact CB-CE2 4.42Å; D235-F237 WeakPolarHBondContact O-CD2 3.45Å; F237-L249 HydrophobicContact CB-CB 4.29Å; F237-L249 HydrophobicContact CB-CD2 4.45Å; F237-L249 HydrophobicContact CD1-CB 4.05Å; F237-L249 HydrophobicContact CG-CB 4.45Å; F237-V250 WeakPolarHBondContact CA-O 3.44Å; F237-P251 HydrophobicContact CD1-CB 4.06Å; F237-P251 HydrophobicContact CE1-CB 3.81Å; F237-P251 HydrophobicContact CE1-CG 4.43Å
238Y89.9Confident85.7Confident29 Ų2966.4 Ų66.411%0.11435%0.351CS..EExtended strand (participates in β ladder)trans-112144.4170.3-70.8-66.8000109.4V228 M232 G240 L249 V250 V255 F257V228-Y238 HydrophobicContact CG1-CD1 3.61Å; V228-Y238 HydrophobicContact CG1-CD2 4.42Å; V228-Y238 HydrophobicContact CG1-CE1 4.42Å; V228-Y238 HydrophobicContact CG1-CG 3.62Å; V228-Y238 HydrophobicContact CG2-CG 4.43Å; M232-Y238 HydrophobicContact CB-CD1 4.11Å; M232-Y238 HydrophobicContact CB-CE1 3.55Å; M232-Y238 HydrophobicContact CG-CE1 4.25Å; M232-Y238 VanDerWaalsContact N-CE1 3.34Å; Y238-G240 PolarHBondContact O-N 3.18Å; Y238-L249 CarbonylContact O-C 3.6Å; Y238-L249 WeakPolarHBondContact O-CA 2.96Å; Y238-V250 PolarHBondContact N-O 3.21Å; Y238-V250 PolarHBondContact O-N 2.93Å; Y238-V255 HydrophobicContact CD2-CG2 4.11Å; Y238-V255 HydrophobicContact CE2-CG2 4.28Å; Y238-F257 HydrophobicContact CE1-CE2 4.48Å; Y238-F257 AromaticContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE2-CE2 4.08Å; Y238-F257 AromaticContact CE2-CZ 3.92Å; Y238-F257 HydrophobicContact CE2-CZ 3.92Å; Y238-F257 AromaticContact CZ-CE2 3.8Å; Y238-F257 AromaticContact CZ-CZ 3.61Å
239E89.6Confident85.6Confident75 Ų7569 Ų6935%0.3536%0.364SS..EExtended strand (participates in β ladder)trans-74.8122.3163.9-57.7-173.6157.500108.9F191 V228 Y229 L249F191-E239 HydrophobicContact CD1-CB 4.4Å; F191-E239 VanDerWaalsContact CD1-OE2 3.24Å; F191-E239 WeakPolarHBondContact CD1-OE2 3.48Å; F191-E239 HydrophobicContact CE1-CB 3.76Å; F191-E239 HydrophobicContact CE1-CG 4.41Å; F191-E239 WeakPolarHBondContact CE1-OE2 3.43Å; V228-E239 CarbonylContact C-O 3.54Å; V228-E239 WeakPolarHBondContact CA-O 3.23Å; Y229-E239 PolarHBondContact N-O 2.87Å; E239-L249 HydrophobicContact CG-CD2 4.3Å
240G90.8Very high85.8Confident1 Ų167 Ų671%0.0136%0.357CS..EExtended strand (participates in β ladder)trans-136.6169.6-176.100000114.9L218 Y227 Y238 R247 G248L218-G240 VanDerWaalsContact CD1-C 3.45Å; L218-G240 VanDerWaalsContact CD1-O 3.27Å; L218-G240 WeakPolarHBondContact CD1-O 3.28Å; Y227-G240 CarbonylContact O-C 3.57Å; Y227-G240 WeakPolarHBondContact O-CA 3.29Å; Y238-G240 PolarHBondContact O-N 3.18Å; G240-R247 WeakPolarHBondContact O-CA 3.31Å; G240-G248 PolarHBondContact N-O 2.81Å; G240-G248 PolarHBondContact O-N 3.28Å; G240-G248 VanDerWaalsContact O-O 3.07Å
241E92.5Very high86.3Confident26 Ų2666.7 Ų66.712%0.12135%0.351CS..EExtended strand (participates in β ladder)trans-140.2124.5179-177.3167.5-160.400109.8L226 Y227 Y229 Q246 R247L226-E241 WeakPolarHBondContact CB-O 3.33Å; Y227-E241 PolarHBondContact N-O 2.96Å; Y227-E241 PolarHBondContact O-N 3.2Å; Y229-E241 HydrophobicContact CE2-CB 3.73Å; Y229-E241 PolarHBondContact OH-OE2 2.93Å; E241-Q246 CarbonylContact C-O 3.54Å; E241-Q246 VanDerWaalsContact CA-O 3.26Å; E241-Q246 WeakPolarHBondContact CA-O 3.21Å; E241-R247 HydrophobicContact CB-CG 4Å; E241-R247 VanDerWaalsContact CD-NE 3.28Å; E241-R247 VanDerWaalsContact CD-NH2 3.34Å; E241-R247 HydrophobicContact CG-CG 3.75Å; E241-R247 IonicContact OE1-CZ 2.7Å; E241-R247 IonicContact OE1-NE 3.7Å; E241-R247 PolarHBondContact OE1-NE 2.83Å; E241-R247 IonicContact OE1-NH2 3.01Å; E241-R247 PolarHBondContact OE1-NH2 2.77Å; E241-R247 IonicContact OE2-CZ 2.81Å; E241-R247 VanDerWaalsContact OE2-CZ 3.32Å; E241-R247 IonicContact OE2-NE 2.93Å; E241-R247 PolarHBondContact OE2-NE 2.79Å; E241-R247 IonicContact OE2-NH2 2.83Å; E241-R247 PolarHBondContact OE2-NH2 2.9Å
242L90.8Very high86.8Confident18 Ų1861.9 Ų61.99%0.09432%0.323CS..EExtended strand (participates in β ladder)trans-69.4160.4171.6-72.2173.2000110.3L218 P219 L220 L226 D244 G245 Q246L218-L242 HydrophobicContact CB-CD1 4.5Å; L218-L242 HydrophobicContact CB-CG 4.47Å; L218-L242 HydrophobicContact CD1-CG 4.19Å; L218-L242 HydrophobicContact CD2-CD1 4.02Å; L218-L242 HydrophobicContact CD2-CG 4.16Å; P219-L242 HydrophobicContact CG-CD1 4.29Å; L220-L242 HydrophobicContact CD2-CD2 4.44Å; L226-L242 HydrophobicContact CB-CD2 4.3Å; L242-D244 WeakPolarHBondContact CB-OD1 3.35Å; L242-D244 PolarHBondContact O-N 2.94Å; L242-D244 VanDerWaalsContact O-N 3.14Å; L242-G245 PolarHBondContact O-N 2.84Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 HydrophobicContact CD1-CB 4.34Å; L242-Q246 PolarHBondContact N-O 2.82Å
243L85.4Confident87.1Confident114 Ų11463.7 Ų63.760%0.59733%0.334SS*.THydrogen-bonded Turntrans-63.3-17.5178.1-69.4170.4000114.1Y225 Y227 G245Y225-L243 WeakPolarHBondContact O-CG 3.46Å; Y227-L243 HydrophobicContact CE2-CD2 3.87Å; L243-G245 VanDerWaalsContact C-N 3.26Å
244D82.1Confident87.2Confident120 Ų12063.7 Ų63.764%0.64233%0.331SS*.THydrogen-bonded Turntrans-83-0.4173.858.416.4000113.2L242 Q246L242-D244 WeakPolarHBondContact CB-OD1 3.35Å; L242-D244 PolarHBondContact O-N 2.94Å; L242-D244 VanDerWaalsContact O-N 3.14Å; D244-Q246 VanDerWaalsContact OD1-CB 3.32Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.29Å; D244-Q246 PolarHBondContact OD1-N 2.9Å
245G82.1Confident87.7Confident39 Ų3954.7 Ų54.740%0.40229%0.29SS..SBendtrans86.72.7179.200000114.4L242 L243L242-G245 PolarHBondContact O-N 2.84Å; L243-G245 VanDerWaalsContact C-N 3.26Å
246Q86.3Confident88.3Confident98 Ų9853.1 Ų53.146%0.45828%0.279SS..  trans-71.5132.2173.3-164.8179.433.300110.1L218 E241 L242 D244L218-Q246 HydrophobicContact CD2-CB 4.05Å; L218-Q246 HydrophobicContact CD2-CG 3.71Å; E241-Q246 CarbonylContact C-O 3.54Å; E241-Q246 VanDerWaalsContact CA-O 3.26Å; E241-Q246 WeakPolarHBondContact CA-O 3.21Å; L242-Q246 HydrophobicContact CB-CB 4.49Å; L242-Q246 HydrophobicContact CD1-CB 4.34Å; L242-Q246 PolarHBondContact N-O 2.82Å; D244-Q246 VanDerWaalsContact OD1-CB 3.32Å; D244-Q246 WeakPolarHBondContact OD1-CB 3.29Å; D244-Q246 PolarHBondContact OD1-N 2.9Å
247R89.4Confident88.4Confident118 Ų11855.1 Ų55.145%0.44528%0.282SS..EExtended strand (participates in β ladder)trans-115.3144-176.7-62.4176-179.1-140.3-13.3110.7G240 E241G240-R247 WeakPolarHBondContact O-CA 3.31Å; E241-R247 HydrophobicContact CB-CG 4Å; E241-R247 VanDerWaalsContact CD-NE 3.28Å; E241-R247 VanDerWaalsContact CD-NH2 3.34Å; E241-R247 HydrophobicContact CG-CG 3.75Å; E241-R247 IonicContact OE1-CZ 2.7Å; E241-R247 IonicContact OE1-NE 3.7Å; E241-R247 PolarHBondContact OE1-NE 2.83Å; E241-R247 IonicContact OE1-NH2 3.01Å; E241-R247 PolarHBondContact OE1-NH2 2.77Å; E241-R247 IonicContact OE2-CZ 2.81Å; E241-R247 VanDerWaalsContact OE2-CZ 3.32Å; E241-R247 IonicContact OE2-NE 2.93Å; E241-R247 PolarHBondContact OE2-NE 2.79Å; E241-R247 IonicContact OE2-NH2 2.83Å; E241-R247 PolarHBondContact OE2-NH2 2.9Å
248G89.6Confident88.1Confident19 Ų1955.9 Ų55.920%0.19629%0.291CS..EExtended strand (participates in β ladder)trans173.9-172.1178.200000111.5A216 G240A216-G248 CarbonylContact O-C 3.56Å; A216-G248 WeakPolarHBondContact O-CA 3.49Å; G240-G248 PolarHBondContact N-O 2.81Å; G240-G248 PolarHBondContact O-N 3.28Å; G240-G248 VanDerWaalsContact O-O 3.07Å
249L90.9Very high86.8Confident54 Ų5463 Ų6328%0.28333%0.325SS..EExtended strand (participates in β ladder)trans-79.8140.5179.1-62.5175.3000110.8A216 E217 L218 F237 Y238 E239A216-L249 HydrophobicContact CB-CD1 4.49Å; A216-L249 PolarHBondContact O-N 3.32Å; E217-L249 CarbonylContact C-O 3.53Å; E217-L249 WeakPolarHBondContact CA-O 3.15Å; E217-L249 HydrophobicContact CG-CB 4.13Å; L218-L249 PolarHBondContact N-O 3.12Å; F237-L249 HydrophobicContact CB-CB 4.29Å; F237-L249 HydrophobicContact CB-CD2 4.45Å; F237-L249 HydrophobicContact CD1-CB 4.05Å; F237-L249 HydrophobicContact CG-CB 4.45Å; Y238-L249 CarbonylContact O-C 3.6Å; Y238-L249 WeakPolarHBondContact O-CA 2.96Å; E239-L249 HydrophobicContact CG-CD2 4.3Å
250V90.9Very high84.6Confident0 Ų067.2 Ų67.20%035%0.35CS..EExtended strand (participates in β ladder)trans-122.7117-176.6174.90000107.8L218 L220 L226 F237 Y238 S252 V255L218-V250 HydrophobicContact CB-CG2 4.25Å; L218-V250 HydrophobicContact CD1-CG2 3.73Å; L218-V250 HydrophobicContact CG-CG2 4.44Å; L220-V250 HydrophobicContact CD1-CG1 4.17Å; L220-V250 HydrophobicContact CD2-CG1 4.31Å; L226-V250 HydrophobicContact CD1-CB 4.21Å; L226-V250 HydrophobicContact CD1-CG1 3.63Å; L226-V250 HydrophobicContact CD1-CG2 3.55Å; F237-V250 WeakPolarHBondContact CA-O 3.44Å; Y238-V250 PolarHBondContact N-O 3.21Å; Y238-V250 PolarHBondContact O-N 2.93Å; V250-S252 PolarHBondContact O-N 2.95Å; V250-V255 HydrophobicContact CG1-CB 4.35Å; V250-V255 HydrophobicContact CG1-CG1 3.42Å; V250-V255 VanDerWaalsContact CG1-CG1 3.42Å; V250-V255 HydrophobicContact CG1-CG2 4.01Å
251P89.9Confident82.2Confident10 Ų1074.3 Ų74.37%0.06539%0.388CS..EExtended strand (participates in β ladder)trans-66.4124.7178.723-30.5000110.8Y204 L220 F237 N253 F254Y204-P251 HydrophobicContact CD1-CG 3.89Å; Y204-P251 HydrophobicContact CE1-CG 3.82Å; Y204-P251 HydrophobicContact CG-CG 4.32Å; L220-P251 HydrophobicContact CD1-CG 4.32Å; F237-P251 HydrophobicContact CD1-CB 4.06Å; F237-P251 HydrophobicContact CE1-CB 3.81Å; F237-P251 HydrophobicContact CE1-CG 4.43Å; P251-N253 PolarHBondContact O-N 2.9Å; P251-F254 HydrophobicContact CB-CD2 3.87Å; P251-F254 HydrophobicContact CG-CB 4.18Å; P251-F254 HydrophobicContact CG-CD2 3.79Å; P251-F254 HydrophobicContact CG-CG 4.13Å; P251-F254 PolarHBondContact O-N 3.06Å
252S87.7Confident79.7Confident23 Ų2380.1 Ų80.116%0.16142%0.42CS..G310 helixtrans-59-33.1-17459.60000113.9G236 V250 F254 V255G236-S252 WeakPolarHBondContact O-CB 3.18Å; G236-S252 PolarHBondContact O-N 3.48Å; G236-S252 VanDerWaalsContact O-N 3.12Å; G236-S252 PolarHBondContact O-OG 2.87Å; V250-S252 PolarHBondContact O-N 2.95Å; S252-F254 PolarHBondContact O-N 2.83Å; S252-V255 PolarHBondContact O-N 2.88Å
253N88.1Confident77Confident132 Ų13285.5 Ų85.571%0.70645%0.453SS*.G310 helixtrans-65.2-17.9179.4-68.1-47.4000113.8P251P251-N253 PolarHBondContact O-N 2.9Å
254F86.9Confident74.5Confident58 Ų5886.3 Ų86.325%0.25447%0.466SS..G310 helixtrans-100.6-2.1-174.3-73.8-104.8000113.2A200 R201 Y202 Y204 L220 P251 S252A200-F254 CarbonylContact C-O 3.58Å; A200-F254 WeakPolarHBondContact CA-O 3.42Å; R201-F254 PolarHBondContact N-O 2.88Å; Y202-F254 HydrophobicContact CD2-CD1 4.43Å; Y204-F254 HydrophobicContact CD2-CD1 4.29Å; Y204-F254 AromaticContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE1 3.89Å; Y204-F254 HydrophobicContact CD2-CE2 4.45Å; Y204-F254 AromaticContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CD2-CZ 3.98Å; Y204-F254 HydrophobicContact CG-CD1 4.31Å; Y204-F254 HydrophobicContact CG-CE1 4.34Å; L220-F254 HydrophobicContact CD1-CB 3.6Å; P251-F254 HydrophobicContact CB-CD2 3.87Å; P251-F254 HydrophobicContact CG-CB 4.18Å; P251-F254 HydrophobicContact CG-CD2 3.79Å; P251-F254 HydrophobicContact CG-CG 4.13Å; P251-F254 PolarHBondContact O-N 3.06Å; S252-F254 PolarHBondContact O-N 2.83Å
255V87.3Confident72.1Confident13 Ų1385.9 Ų85.98%0.07947%0.472CS..EExtended strand (participates in β ladder)trans-128.7147.2-174.3-63.40000112.3C198 V199 L220 L226 Y238 V250 S252C198-V255 HydrophobicContact CB-CB 4.12Å; V199-V255 CarbonylContact O-C 3.49Å; V199-V255 WeakPolarHBondContact O-CA 3.12Å; L220-V255 HydrophobicContact CD1-CG1 3.91Å; L226-V255 HydrophobicContact CD1-CG1 4.24Å; L226-V255 HydrophobicContact CD2-CG1 3.93Å; Y238-V255 HydrophobicContact CD2-CG2 4.11Å; Y238-V255 HydrophobicContact CE2-CG2 4.28Å; V250-V255 HydrophobicContact CG1-CB 4.35Å; V250-V255 HydrophobicContact CG1-CG1 3.42Å; V250-V255 VanDerWaalsContact CG1-CG1 3.42Å; V250-V255 HydrophobicContact CG1-CG2 4.01Å; S252-V255 PolarHBondContact O-N 2.88Å
256E90.7Very high69.6Low101 Ų10187.8 Ų87.847%0.47248%0.484SS..EExtended strand (participates in β ladder)trans-123.8126.6177.6-172.8166.4-177.900109.1C198 V199 R201 V258C198-E256 CarbonylContact C-O 3.5Å; C198-E256 WeakPolarHBondContact CA-O 3.23Å; V199-E256 HydrophobicContact CG1-CB 4.04Å; V199-E256 PolarHBondContact N-O 2.77Å; V199-E256 PolarHBondContact O-N 2.86Å; R201-E256 HydrophobicContact CG-CB 3.75Å; R201-E256 IonicContact CZ-OE2 3.34Å; R201-E256 IonicContact NE-OE2 2.92Å; R201-E256 PolarHBondContact NE-OE2 2.86Å; E256-V258 PolarHBondContact O-N 3.49Å
257F87.9Confident67.2Low60 Ų6092 Ų9226%0.26350%0.503SS..EExtended strand (participates in β ladder)trans-70.3128178.8-69.4-80.3000110.1R196 C198 V228 Y238 Q259R196-F257 HydrophobicContact CB-CD1 3.66Å; R196-F257 HydrophobicContact CB-CE1 3.74Å; R196-F257 HydrophobicContact CG-CD1 4.43Å; R196-F257 HydrophobicContact CG-CE1 4.45Å; C198-F257 WeakPolarHBondContact SG-CD1 3.36Å; C198-F257 WeakPolarHBondContact SG-CE1 3.23Å; V228-F257 HydrophobicContact CB-CE1 4.3Å; V228-F257 HydrophobicContact CG1-CE1 4.14Å; V228-F257 HydrophobicContact CG1-CZ 4.33Å; Y238-F257 HydrophobicContact CE1-CE2 4.48Å; Y238-F257 AromaticContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE1-CZ 3.9Å; Y238-F257 HydrophobicContact CE2-CE2 4.08Å; Y238-F257 AromaticContact CE2-CZ 3.92Å; Y238-F257 HydrophobicContact CE2-CZ 3.92Å; Y238-F257 AromaticContact CZ-CE2 3.8Å; Y238-F257 AromaticContact CZ-CZ 3.61Å; F257-Q259 PolarHBondContact O-N 2.9Å
258V82Confident64.4Low66 Ų6694.9 Ų94.940%0.452%0.522SS..  trans-73.8114.8170.1-173.80000106.1L197 Y225 E256 D260L197-V258 HydrophobicContact CD2-CG2 4.41Å; L197-V258 HydrophobicContact CG-CG2 4.3Å; L197-V258 PolarHBondContact O-N 3.17Å; Y225-V258 HydrophobicContact CD1-CG2 4.06Å; Y225-V258 HydrophobicContact CE1-CG2 3.81Å; E256-V258 PolarHBondContact O-N 3.49Å; V258-D260 PolarHBondContact O-N 3.2Å
259Q61Low61.7Low177 Ų177105.1 Ų105.183%0.82756%0.555SS**  trans-62.8119.5177.6-71.3-178.914.200109.1F257F257-Q259 PolarHBondContact O-N 2.9Å
260D45.3Very low58.6Low165 Ų165109.3 Ų109.388%0.88258%0.577SS**  trans-76.5114.6155.1-104.1-17.1000106.9V258 D262V258-D260 PolarHBondContact O-N 3.2Å; D260-D262 PolarHBondContact O-N 3.21Å
261D40.3Very low55.6Low149 Ų149115.7 Ų115.780%0.79762%0.616SS**  trans-60.6107.3160.9-106.7-34.4000108.2
262D39.4Very low52.6Low149 Ų149121.3 Ų121.380%0.79765%0.651SS**  trans-160.788.3143.6-97.7-28.5000111.1D260D260-D262 PolarHBondContact O-N 3.21Å
263T34.2Very low49.8Very low130 Ų130126.1 Ų126.180%0.79868%0.679SS**  trans70129.716166.10000118.8
264P32.8Very low46.9Very low131 Ų131129.2 Ų129.285%0.85169%0.686SS**  -127.9144.481.235.5-25.4000114.3
265S30.8Very low43.9Very low111 Ų111135 Ų13578%0.77671%0.714SS**  trans-56.1136.7174.6-161.40000112.9
266A30.4Very low41.6Very low79 Ų79139.5 Ų139.565%0.65374%0.743SS**  trans62.4107.1141.800000118.4
267Q35.3Very low38.4Very low186 Ų186137.5 Ų137.587%0.86975%0.749SS**  180110.481.5-88.5-174.9-27.500110.9
268H30.1Very low35.5Very low179 Ų179144.6 Ų144.683%0.82978%0.776SS**  trans38.2101.7137.1-88.3-89000119.5
269R33Very low32.8Very low235 Ų235147.3 Ų147.389%0.88779%0.788SS**  trans-69.3135.4131.9-81.9-178.1162166.4-3.3109.3
270N27.1Very low31.2Very low141 Ų141144.3 Ų144.375%0.75478%0.777SS**  trans177.2120130.6-89.8-14.2000109.8
271T27.2Very low30.5Very low134 Ų134144.1 Ų144.182%0.82277%0.771SS**  161101.6115.843.20000112.2
272T27.9Very low29.8Very low128 Ų128142.4 Ų142.479%0.78577%0.77SS**  15.3120.5122.3-50.80000119.5
273V29Very low29.2Very low124 Ų124140 Ų14075%0.75277%0.766SS**  trans72116.9138.8-176.10000119
274K25.7Very low28.9Very low197 Ų197142.2 Ų142.286%0.85777%0.771SS**  167.2112.4119.5-87.9-172.3-175.61740111.3
275E24.9Very low28.5Very low180 Ų180139.3 Ų139.384%0.84177%0.766SS**  trans-70.1166.2133.3-111.8-160.6127.100107.9
276P38.1Very low29.3Very low108 Ų108140 Ų14070%0.70177%0.767SS**  cis-142.7172.82136.7-15.5000116.3
277G23.9Very low30.3Very low58 Ų58141.1 Ų141.160%0.59877%0.768SS**  trans77.8125.1137.700000118.6
278Y27Very low29.9Very low209 Ų209142.9 Ų142.982%0.8277%0.767SS**  169.5119.385.8-93.7-80.6000110.1
279L26.4Very low30Very low123 Ų123142.4 Ų142.464%0.64477%0.765SS**  trans58125130.1-73.2-179.3000121.6
280N26.2Very low29.8Very low115 Ų115136.9 Ų136.962%0.61576%0.762SS**  trans77145.2140.4-54.3-31.6000116
281H30Very low30Very low160 Ų160136.3 Ų136.374%0.74177%0.769SS**  cis-152.7135.129.1-51.6-99.6000106.9
282S26.7Very low29.9Very low113 Ų113133.7 Ų133.779%0.7977%0.769SS**  41.3131.4105.3-630000114.7
283S26.1Very low30.1Very low100 Ų100135 Ų13570%0.69978%0.777SS**  cis-171.7151.412.1-82.60000109.5
284L27.7Very low30Very low175 Ų175132.3 Ų132.392%0.91677%0.774SS**  trans4.7130.6141.3-66148.1000119.2
285G26Very low30.2Very low71 Ų71130.2 Ų130.273%0.73278%0.778SS**  138.6154.5128.500000118.4
286P47.7Very low30.5Very low124 Ų124132.2 Ų132.281%0.80578%0.777SS**  trans-122.8-142.5-145.335.8-13.7000111.1
287P50.3Low30.7Very low103 Ų103132.4 Ų132.467%0.66978%0.779SS**  cis-127.3-177.9-43.922.9-0.4000113.2
288R27.8Very low30.9Very low223 Ų223134.2 Ų134.284%0.84278%0.782SS**  trans130.2116.8133.3-67.7-166.6164.4-174.6-3.8118.5
289H30.4Very low31.2Very low170 Ų170132.7 Ų132.779%0.78779%0.786SS**  trans36.8134.6130.1-60.1-72.9000125.1
290S29.2Very low31.2Very low118 Ų118132.2 Ų132.283%0.82579%0.794SS**  153.1153.2115.152.30000109.9
291S30.8Very low31.2Very low130 Ų130132 Ų13291%0.90980%0.801SS**  cis-167.8160.33.4-136.80000108.1
292G26.2Very low31.2Very low79 Ų79131.6 Ų131.681%0.81480%0.804SS**  trans169.4106.2167.300000115.9
293T31.1Very low31.5Very low155 Ų155132.2 Ų132.295%0.95180%0.802SS**  trans-79.5152.9-171.226.10000117.3
294G28.2Very low31.4Very low67 Ų67133.4 Ų133.469%0.69181%0.811SS**  trans164.598.1153.400000118.5
295T29.5Very low31.5Very low153 Ų153133.1 Ų133.194%0.93981%0.81SS**  trans69.4124.3148.317.40000123.1
296R30.6Very low31.5Very low222 Ų222135.7 Ų135.784%0.83882%0.817SS**  trans-94.2-179167.6-72.2177.784.2166.35.4110.5
297P43.6Very low30.6Very low112 Ų112138.6 Ų138.673%0.72782%0.817SS**  cis-140.4165.26.829.8-5000119.4
298S27.4Very low29.5Very low96 Ų96139.4 Ų139.467%0.67182%0.815SS**  trans26.3137.3142.9-61.80000124.7
299I32.4Very low29.3Very low177 Ų177135.4 Ų135.491%0.90881%0.81SS**  -153.6139.1117.635.9172.5000111.6
300S26.9Very low28.9Very low114 Ų114133.9 Ų133.980%0.79782%0.817SS**  trans-87.5156173.4-660000112.6
301S26.8Very low28.8Very low109 Ų109136.1 Ų136.176%0.76282%0.819SS**  169108.6129.560.90000109.6
302L30Very low28.5Very low153 Ų153134.9 Ų134.980%0.80181%0.81SS**  72.2107.885-69.7172.8000115.1
303V31.9Very low28.4Very low125 Ų125137.5 Ų137.576%0.75881%0.811SS**  trans21.4139.3135.6-75.20000120.8
304S25.9Very low28.1Very low126 Ų126135.8 Ų135.888%0.88181%0.805SS**  trans-147.7115.4144-72.20000110.8
305D28.7Very low28.1Very low168 Ų168137.7 Ų137.790%0.89881%0.808SS**  trans-69.4149.8155.8-92.9-42000110
306S25.8Very low28.1Very low126 Ų126138.8 Ų138.888%0.88181%0.807SS**  trans-151.3123.215450.30000111
307K28.7Very low27.9Very low184 Ų184132 Ų13280%0.881%0.806SS**  trans-112.3147.8178-163.8-161.3178.3-177.20108.7
308L27.7Very low27.1Very low121 Ų121135.4 Ų135.463%0.63481%0.814SS**  trans104.6120.3152.6-59.9-179.7000120.6
309D23.5Very low27Very low139 Ų139138.3 Ų138.374%0.74382%0.822SS**  trans66.1123.2133.9-59.2-17.9000122.1
310C22.6Very low26.7Very low137 Ų137137.1 Ų137.193%0.92682%0.817SS**  -170.4135.5116.7-96.30000112.6
311L27.5Very low26.7Very low165 Ų165139.7 Ų139.786%0.86482%0.821SS**  trans-73.8150.8172.1-66.8152.8000112
312S23Very low26.6Very low104 Ų104137.9 Ų137.973%0.72782%0.82SS**  148.8115.2122.7-640000114.8
313T24.5Very low26.5Very low135 Ų135136.7 Ų136.783%0.82882%0.824SS**  trans38.7121.5136.652.70000121.9
314S24.8Very low26.4Very low119 Ų119136.6 Ų136.683%0.83283%0.829SS**  -175.1140.8112.158.20000113.6
315S27.5Very low26.5Very low107 Ų107135.8 Ų135.875%0.74882%0.823SS**  trans-54.1141.7175.850.80000118.2
316L31.3Very low26.5Very low175 Ų175135.6 Ų135.692%0.91682%0.822SS**  trans-153.5126.1134.6-64.4179.6000105
317G25.5Very low26.8Very low79 Ų79133.1 Ų133.181%0.81482%0.817SS**  cis89.969.337.800000109.7
318M27.2Very low26.8Very low185 Ų185130.3 Ų130.391%0.91182%0.815SS**  trans-153.292.2164-148-175.1-160.600111.8
319D25.1Very low27.2Very low157 Ų157128.8 Ų128.884%0.8483%0.829SS**  trans-76.4131.8151.3-74-44.9000108.4
320L25.1Very low27.5Very low152 Ų152127.3 Ų127.380%0.79683%0.825SS**  trans18099.2140.6-101.6148.4000112.3
321L28.2Very low28.2Very low167 Ų167127.8 Ų127.887%0.87482%0.818SS**  trans18.2130.1130.6-58.1168.5000119.4
322G25Very low28.7Very low72 Ų72125.6 Ų125.674%0.74281%0.807SS**  trans10999.413400000117.1
323S27.5Very low29.7Very low127 Ų127123.7 Ų123.789%0.88879%0.791SS**  trans-150.298.4142.6-86.60000110.1
324S29.5Very low30.4Very low123 Ų123119.2 Ų119.286%0.8677%0.765SS**  trans-83.3124.7160-30.50000107.8
325S27.1Very low31.5Very low109 Ų109119.9 Ų119.976%0.76276%0.757SS**  trans-155.9104152.2670000111.6
326N29Very low32.3Very low164 Ų164122.4 Ų122.488%0.87776%0.763SS**  trans25.7126.7144.7-60.917000120.6
327G33.4Very low33Very low75 Ų75118.9 Ų118.977%0.77374%0.741SS**  95.463.1121.600000117.1
328T28.6Very low34.2Very low125 Ų125116.7 Ų116.777%0.76771%0.712SS**  trans-159129152.1-290000109.7T330T328-T330 PolarHBondContact O-N 3.09Å
329G34.7Very low35.4Very low89 Ų89109.6 Ų109.692%0.91869%0.687SS**  trans-70.769.6-179.900000113.4
330T29.8Very low37Very low107 Ų107110.9 Ų110.966%0.65669%0.688SS**  trans-94.9123.4167.465.90000108.4T328 D332T328-T330 PolarHBondContact O-N 3.09Å; T330-D332 PolarHBondContact O-N 2.86Å
331L38.2Very low39.1Very low148 Ų148109.4 Ų109.478%0.77568%0.681SS**  trans-51.6101.3174-74161.7000110.3V333L331-V333 PolarHBondContact O-N 2.89Å
332D36.7Very low41.7Very low118 Ų118104 Ų10463%0.63165%0.652SS**  trans-78.993.1-174.6-17932000110.4T330 S334 K479T330-D332 PolarHBondContact O-N 2.86Å; D332-S334 PolarHBondContact O-N 3.26Å; D332-K479 PolarHBondContact O-NZ 2.66Å
333V45.6Very low44.7Very low65 Ų65101.7 Ų101.739%0.39462%0.624SS.*  trans-85.396.1156.8-178.70000105.8L331 I335L331-V333 PolarHBondContact O-N 2.89Å; V333-I335 PolarHBondContact O-N 3.08Å; V333-I335 VanDerWaalsContact O-N 3.08Å
334S38.9Very low47.8Very low41 Ų4196 Ų9629%0.28758%0.583SS.*  trans-46.6115.1161.847.60000108.6D332 D336 E337D332-S334 PolarHBondContact O-N 3.26Å; S334-D336 PolarHBondContact O-N 3.14Å; S334-E337 PolarHBondContact O-N 2.94Å; S334-E337 VanDerWaalsContact O-N 3.16Å
335I46.8Very low50.8Low132 Ų13292 Ų9268%0.67755%0.55SS*.G310 helixtrans-53.1-20.4178.1-69.4167.2000111.5V333 E337 V338V333-I335 PolarHBondContact O-N 3.08Å; V333-I335 VanDerWaalsContact O-N 3.08Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.16Å; I335-V338 PolarHBondContact O-N 2.83Å
336D44.9Very low54Low160 Ų16086.8 Ų86.886%0.85651%0.513SS*.G310 helixtrans-57.5-20.4174.7-841.8000116S334S334-D336 PolarHBondContact O-N 3.14Å
337E47.3Very low57.1Low101 Ų10182.6 Ų82.647%0.47249%0.485SS..G310 helixtrans-96.7-10.5179.8-148.9-176.8170.300113.4S334 I335 G339S334-E337 PolarHBondContact O-N 2.94Å; S334-E337 VanDerWaalsContact O-N 3.16Å; I335-E337 PolarHBondContact O-N 2.85Å; I335-E337 VanDerWaalsContact O-N 3.16Å; E337-G339 PolarHBondContact O-N 3.18Å
338V49.2Very low59.8Low33 Ų3386.1 Ų86.120%0.248%0.475CS..SBendtrans-94.786.2170.2-176.70000106.6I335 E340 I342 P369I335-V338 PolarHBondContact O-N 2.83Å; V338-E340 PolarHBondContact O-N 3.34Å; V338-I342 HydrophobicContact CG1-CB 4.39Å; V338-P369 HydrophobicContact CG1-CG 3.94Å
339G53.1Low63Low37 Ų3780.2 Ų80.238%0.38144%0.439SS..  trans-49.1144.8166.600000109.6E337 D341 I342E337-G339 PolarHBondContact O-N 3.18Å; G339-D341 PolarHBondContact O-N 3.28Å; G339-I342 PolarHBondContact O-N 2.73Å
340E59.3Low65.8Low183 Ų18379.6 Ų79.686%0.85542%0.415SS*.THydrogen-bonded Turntrans-56.6-6.5-173.6-64.9-171.7157.800114.6V338 W372V338-E340 PolarHBondContact O-N 3.34Å; E340-W372 WeakPolarHBondContact O-CZ2 3.41Å
341D67.6Low68.9Low122 Ų12275.6 Ų75.665%0.65239%0.389SS*.THydrogen-bonded Turntrans-118.58.8180-155.535.9000115.3G339 W372 R420G339-D341 PolarHBondContact O-N 3.28Å; D341-W372 VanDerWaalsContact C-CZ2 3.42Å; D341-R420 IonicContact OD1-NH1 3.93Å; D341-R420 PolarHBondContact OD1-NH1 2.78Å
342I83.3Confident71.5Confident52 Ų5272 Ų7227%0.26737%0.37SS..SBendtrans-85.4116173.8-56.7179.3000111.4V338 G339 P344 W372V338-I342 HydrophobicContact CG1-CB 4.39Å; G339-I342 PolarHBondContact O-N 2.73Å; I342-P344 WeakPolarHBondContact O-CD 3.46Å; I342-W372 VanDerWaalsContact N-CZ2 3.32Å; I342-W372 VanDerWaalsContact O-CH2 3.23Å; I342-W372 WeakPolarHBondContact O-CH2 3.49Å; I342-W372 WeakPolarHBondContact O-CZ2 3.31Å
343V89.1Confident74.2Confident25 Ų2572 Ų7215%0.15237%0.365CS..PPolyproline II helixtrans-55.8123.5177.9-177.20000111.3Y345 W372 T418 R420V343-Y345 PolarHBondContact O-N 2.9Å; V343-W372 HydrophobicContact CB-CZ3 4.32Å; V343-W372 HydrophobicContact CG2-CH2 4.31Å; V343-W372 HydrophobicContact CG2-CZ3 4.1Å; V343-T418 HydrophobicContact CG1-CG2 3.79Å; V343-R420 HydrophobicContact CG2-CB 4.4Å
344P91.3Very high76.4Confident6 Ų673.2 Ų73.24%0.03937%0.366CS..PPolyproline II helixtrans-56.8126.3-178.5-27.333.4000111.9I342 P366 L368 W372 S416I342-P344 WeakPolarHBondContact O-CD 3.46Å; P344-P366 HydrophobicContact CB-CB 3.77Å; P344-P366 HydrophobicContact CB-CG 4.43Å; P344-L368 HydrophobicContact CB-CD2 4.03Å; P344-L368 HydrophobicContact CG-CD2 3.95Å; P344-W372 HydrophobicContact CG-CB 4.18Å; P344-W372 HydrophobicContact CG-CD2 3.76Å; P344-W372 HydrophobicContact CG-CE3 3.97Å; P344-W372 HydrophobicContact CG-CG 3.85Å; P344-S416 VanDerWaalsContact O-CB 3.3Å; P344-S416 WeakPolarHBondContact O-CB 3.19Å; P344-S416 PolarHBondContact O-OG 2.83Å
345Y92.9Very high79Confident39 Ų3974.5 Ų74.515%0.15337%0.369CS..  trans-109.8146.5-173.153.2-82.4000112.3V343 R347 P366 R427V343-Y345 PolarHBondContact O-N 2.9Å; Y345-R347 HydrophobicContact CD2-CG 4.39Å; Y345-R347 HydrophobicContact CE2-CG 4.32Å; Y345-P366 VanDerWaalsContact O-CA 3.31Å; Y345-P366 WeakPolarHBondContact O-CA 3.43Å; Y345-P366 VanDerWaalsContact O-CB 3.23Å; Y345-P366 WeakPolarHBondContact O-CB 3.49Å; Y345-R427 HydrophobicContact CD1-CB 4.3Å; Y345-R427 HydrophobicContact CD1-CG 4.49Å; Y345-R427 HydrophobicContact CD2-CB 3.53Å; Y345-R427 HydrophobicContact CD2-CG 4.43Å; Y345-R427 HydrophobicContact CE2-CB 3.94Å; Y345-R427 HydrophobicContact CG-CB 3.71Å; Y345-R427 HydrophobicContact CG-CG 4.37Å; Y345-R427 PolarHBondContact OH-NH1 3.4Å
346P94.8Very high81Confident0 Ų072.4 Ų72.40%037%0.371CS..  trans-58.7155.8174-17.631.5000110.6W363 D364 Y378 V414 C428P346-W363 HydrophobicContact CB-CG 4.39Å; P346-D364 WeakPolarHBondContact CA-O 3.26Å; P346-Y378 HydrophobicContact CB-CD1 4.41Å; P346-Y378 HydrophobicContact CB-CE1 4.31Å; P346-Y378 HydrophobicContact CG-CD1 3.66Å; P346-Y378 HydrophobicContact CG-CE1 3.84Å; P346-V414 HydrophobicContact CB-CG1 4.29Å; P346-V414 HydrophobicContact CG-CB 4.42Å; P346-V414 HydrophobicContact CG-CG1 3.96Å; P346-C428 VanDerWaalsContact C-SG 3.54Å; P346-C428 HydrophobicContact CB-CB 4.33Å; P346-C428 WeakPolarHBondContact O-CB 3.36Å; P346-C428 PolarHBondContact O-SG 3.25Å
347R92.9Very high83.3Confident77 Ų7772.2 Ų72.229%0.29136%0.363SS..EExtended strand (participates in β ladder)trans-126.9167.6-174.9-59.4-177.3-60.5155.82.2111.2Y345 I349 D364 V367Y345-R347 HydrophobicContact CD2-CG 4.39Å; Y345-R347 HydrophobicContact CE2-CG 4.32Å; R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 3.32Å; R347-D364 HydrophobicContact CB-CB 4.46Å; R347-D364 PolarHBondContact N-O 3.13Å; R347-D364 PolarHBondContact O-N 3.16Å; R347-V367 VanDerWaalsContact NH2-CG2 3.29Å
348R91.7Very high85.6Confident149 Ų14968.3 Ų68.356%0.56235%0.347SS*.EExtended strand (participates in β ladder)trans52.646.3168.8-65.9-179.855.9-149.110.4113.3N350 D364 N463R348-N350 PolarHBondContact O-N 3.46Å; R348-D364 HydrophobicContact CB-CB 4.32Å; R348-D364 WeakPolarHBondContact CD-OD2 3.22Å; R348-D364 IonicContact CZ-OD2 3.89Å; R348-D364 IonicContact NE-OD2 3.99Å; R348-D364 PolarHBondContact NE-OD2 3.04Å; R348-D364 IonicContact NH1-OD2 2.72Å; R348-D364 PolarHBondContact NH1-OD2 3.45Å; R348-N463 VanDerWaalsContact CA-OD1 3.27Å; R348-N463 WeakPolarHBondContact CA-OD1 3.18Å
349I95.3Very high87.9Confident0 Ų066.7 Ų66.70%034%0.337CS..EExtended strand (participates in β ladder)trans-59.7127175.1-171.4173.4000109.9R347 G362 V414 L430 N463R347-I349 VanDerWaalsContact C-N 3.32Å; R347-I349 PolarHBondContact O-N 3.32Å; I349-G362 CarbonylContact C-O 3.58Å; I349-G362 WeakPolarHBondContact CA-O 3.36Å; I349-V414 HydrophobicContact CD1-CG2 3.9Å; I349-L430 HydrophobicContact CB-CD2 4.45Å; I349-L430 HydrophobicContact CD1-CD2 4.19Å; I349-L430 HydrophobicContact CD1-CG 4.01Å; I349-L430 HydrophobicContact CG1-CD2 3.81Å; I349-L430 HydrophobicContact CG1-CG 4.2Å; I349-L430 HydrophobicContact CG2-CB 4.39Å; I349-L430 HydrophobicContact CG2-CD2 4.16Å; I349-L430 HydrophobicContact CG2-CG 4.42Å; I349-N463 PolarHBondContact N-OD1 2.81Å; I349-N463 PolarHBondContact O-ND2 2.93Å
350N93.6Very high90Very high76 Ų7667.4 Ų67.441%0.40633%0.331SS..EExtended strand (participates in β ladder)trans-128.1137.3-178.172.6-32.5000112R348 I352 I361 G362R348-N350 PolarHBondContact O-N 3.46Å; N350-I352 PolarHBondContact O-N 3.15Å; N350-I361 CarbonylContact O-C 3.6Å; N350-I361 VanDerWaalsContact O-CA 3.26Å; N350-I361 WeakPolarHBondContact O-CA 3.39Å; N350-G362 PolarHBondContact N-O 3.49Å; N350-G362 PolarHBondContact O-N 3.48Å; N350-G362 WeakPolarHBondContact OD1-CA 3.32Å; N350-G362 PolarHBondContact OD1-N 3.01Å; N350-G362 VanDerWaalsContact OD1-N 3.14Å; N350-G362 PolarHBondContact OD1-O 3.31Å
351L93.9Very high91.8Very high24 Ų2458.7 Ų58.713%0.12629%0.291CS..EExtended strand (participates in β ladder)trans-80.1102.1168.6-17962000108.4Q354 V359 I361 L430 V432 Q510L351-Q354 HydrophobicContact CD2-CB 4.28Å; L351-V359 HydrophobicContact CD1-CB 4Å; L351-V359 HydrophobicContact CD1-CG1 4.22Å; L351-I361 HydrophobicContact CD1-CG2 4.44Å; L351-L430 HydrophobicContact CB-CD2 4.23Å; L351-V432 HydrophobicContact CD1-CG1 3.97Å; L351-V432 HydrophobicContact CD2-CG1 4.03Å; L351-Q510 PolarHBondContact O-NE2 2.82Å
352I93.9Very high93.2Very high73 Ų7352.9 Ų52.937%0.37426%0.26SS..EExtended strand (participates in β ladder)trans-73.9-45.9179.7-60.6176.9000109.7N350 I360 K397N350-I352 PolarHBondContact O-N 3.15Å; I352-I360 WeakPolarHBondContact CA-O 3.3Å; I352-I360 HydrophobicContact CB-CB 4.25Å; I352-I360 HydrophobicContact CB-CG2 4Å; I352-I360 WeakPolarHBondContact CB-O 3.25Å; I352-I360 HydrophobicContact CD1-CG2 4.14Å; I352-I360 HydrophobicContact CG2-CG2 4.29Å; I352-I360 PolarHBondContact N-O 3.33Å; I352-K397 HydrophobicContact CD1-CD 3.75Å; I352-K397 HydrophobicContact CD1-CG 3.94Å
353K92.5Very high93.8Very high118 Ų11850.6 Ų50.651%0.51325%0.248SC..EExtended strand (participates in β ladder)trans-153.2134.8179.2-163.8166.1-172.8173.60111.6L355 V359 I360K353-L355 HydrophobicContact CD-CD2 3.93Å; K353-L355 HydrophobicContact CG-CD2 4.05Å; K353-L355 HydrophobicContact CG-CG 4.4Å; K353-V359 CarbonylContact O-C 3.41Å; K353-V359 WeakPolarHBondContact O-CA 3.33Å; K353-I360 HydrophobicContact CB-CB 4.25Å; K353-I360 HydrophobicContact CB-CD1 4.19Å; K353-I360 HydrophobicContact CB-CG1 4.38Å; K353-I360 PolarHBondContact N-O 2.87Å; K353-I360 PolarHBondContact O-N 3.31Å
354Q92.7Very high94.1Very high90 Ų9051.7 Ų51.742%0.42125%0.253SS..EExtended strand (participates in β ladder)trans-103.3123.1168.5-173163.2-52.500109.4L351 V359 L405L351-Q354 HydrophobicContact CD2-CB 4.28Å; Q354-V359 HydrophobicContact CG-CG1 4.17Å; Q354-L405 HydrophobicContact CG-CD1 3.48Å; Q354-L405 VanDerWaalsContact CG-CD1 3.48Å
355L92.8Very high94.1Very high67 Ų6754.3 Ų54.335%0.35127%0.27SS..  trans-110170.2176.5-57.8171000109K353 K357 S358 L405K353-L355 HydrophobicContact CD-CD2 3.93Å; K353-L355 HydrophobicContact CG-CD2 4.05Å; K353-L355 HydrophobicContact CG-CG 4.4Å; L355-K357 PolarHBondContact O-N 2.67Å; L355-K357 VanDerWaalsContact O-N 3.15Å; L355-S358 CarbonylContact C-O 3.53Å; L355-S358 WeakPolarHBondContact CA-O 3.38Å; L355-S358 VanDerWaalsContact CB-O 3.32Å; L355-S358 WeakPolarHBondContact CB-O 3.18Å; L355-S358 WeakPolarHBondContact CB-OG 3.12Å; L355-S358 VanDerWaalsContact CD1-OG 3.23Å; L355-S358 WeakPolarHBondContact CD1-OG 3.36Å; L355-S358 PolarHBondContact N-O 2.8Å; L355-L405 WeakPolarHBondContact O-CD1 3.4Å
356A88.9Confident94Very high88 Ų8852.9 Ų52.973%0.72727%0.266SS*.SBendtrans-58.4-32.8-176.200000114.1
357K93.7Very high93.6Very high157 Ų15757 Ų5768%0.68329%0.29SS*.SBendtrans-133.211.9-176.2-61.8-176179.71790114.5L355 K402 L403L355-K357 PolarHBondContact O-N 2.67Å; L355-K357 VanDerWaalsContact O-N 3.15Å; K357-K402 PolarHBondContact O-N 3.21Å; K357-K402 VanDerWaalsContact O-N 3.12Å; K357-L403 CarbonylContact C-O 3.5Å; K357-L403 WeakPolarHBondContact CA-O 3.23Å; K357-L403 PolarHBondContact O-N 3.25Å
358S95.8Very high93.2Very high18 Ų1856.7 Ų56.713%0.12629%0.294CS..EExtended strand (participates in β ladder)trans-158.5163.4-174.654.10000111.3L355 I400L355-S358 CarbonylContact C-O 3.53Å; L355-S358 WeakPolarHBondContact CA-O 3.38Å; L355-S358 VanDerWaalsContact CB-O 3.32Å; L355-S358 WeakPolarHBondContact CB-O 3.18Å; L355-S358 WeakPolarHBondContact CB-OG 3.12Å; L355-S358 VanDerWaalsContact CD1-OG 3.23Å; L355-S358 WeakPolarHBondContact CD1-OG 3.36Å; L355-S358 PolarHBondContact N-O 2.8Å; S358-I400 CarbonylContact C-O 3.59Å; S358-I400 WeakPolarHBondContact CA-O 3.45Å; S358-I400 WeakPolarHBondContact CB-O 3.5Å
359V96.9Very high92.5Very high0 Ų051 Ų510%028%0.277CS..EExtended strand (participates in β ladder)trans-137.9149175.9-61.10000110.6L351 K353 Q354 I361 L399 I400 L403 L405 I412 V432L351-V359 HydrophobicContact CD1-CB 4Å; L351-V359 HydrophobicContact CD1-CG1 4.22Å; K353-V359 CarbonylContact O-C 3.41Å; K353-V359 WeakPolarHBondContact O-CA 3.33Å; Q354-V359 HydrophobicContact CG-CG1 4.17Å; V359-I361 HydrophobicContact CG2-CG2 4.44Å; V359-L399 WeakPolarHBondContact O-CA 3.39Å; V359-I400 HydrophobicContact CG2-CB 3.91Å; V359-I400 HydrophobicContact CG2-CD1 4.07Å; V359-I400 HydrophobicContact CG2-CG1 4.44Å; V359-I400 PolarHBondContact N-O 3.05Å; V359-I400 PolarHBondContact O-N 3.46Å; V359-L403 HydrophobicContact CG1-CD1 4.21Å; V359-L403 HydrophobicContact CG2-CD1 3.73Å; V359-L405 HydrophobicContact CG1-CD1 3.51Å; V359-L405 HydrophobicContact CG1-CD2 4.39Å; V359-I412 HydrophobicContact CG2-CD1 3.48Å; V359-I412 VanDerWaalsContact CG2-CD1 3.48Å; V359-V432 HydrophobicContact CG1-CB 4.45Å; V359-V432 HydrophobicContact CG1-CG2 4.23Å
360I96.6Very high91.6Very high51 Ų5157.2 Ų57.226%0.26232%0.317SS..EExtended strand (participates in β ladder)trans-110.1121.1171.5-54.9176.4000107I352 K353 S398 L399I352-I360 WeakPolarHBondContact CA-O 3.3Å; I352-I360 HydrophobicContact CB-CB 4.25Å; I352-I360 HydrophobicContact CB-CG2 4Å; I352-I360 WeakPolarHBondContact CB-O 3.25Å; I352-I360 HydrophobicContact CD1-CG2 4.14Å; I352-I360 HydrophobicContact CG2-CG2 4.29Å; I352-I360 PolarHBondContact N-O 3.33Å; K353-I360 HydrophobicContact CB-CB 4.25Å; K353-I360 HydrophobicContact CB-CD1 4.19Å; K353-I360 HydrophobicContact CB-CG1 4.38Å; K353-I360 PolarHBondContact N-O 2.87Å; K353-I360 PolarHBondContact O-N 3.31Å; I360-S398 WeakPolarHBondContact CA-O 3.19Å; I360-L399 HydrophobicContact CG1-CD1 3.77Å
361I97Very high90.6Very high0 Ų057.2 Ų57.20%034%0.335CS..EExtended strand (participates in β ladder)trans-113.9155.6175.658.8151.8000110.8N350 L351 V359 W363 V380 K397 S398 I400 I412 V414N350-I361 CarbonylContact O-C 3.6Å; N350-I361 VanDerWaalsContact O-CA 3.26Å; N350-I361 WeakPolarHBondContact O-CA 3.39Å; L351-I361 HydrophobicContact CD1-CG2 4.44Å; V359-I361 HydrophobicContact CG2-CG2 4.44Å; I361-W363 HydrophobicContact CD1-CE3 3.97Å; I361-W363 HydrophobicContact CD1-CZ3 3.75Å; I361-W363 HydrophobicContact CG1-CE3 4.46Å; I361-W363 HydrophobicContact CG1-CZ3 4.14Å; I361-V380 HydrophobicContact CD1-CG1 3.9Å; I361-K397 CarbonylContact O-C 3.5Å; I361-K397 VanDerWaalsContact O-CA 3.25Å; I361-K397 WeakPolarHBondContact O-CA 3.21Å; I361-S398 PolarHBondContact N-O 3.22Å; I361-S398 PolarHBondContact O-N 3.45Å; I361-I400 HydrophobicContact CD1-CD1 4.08Å; I361-I400 HydrophobicContact CG1-CD1 4.06Å; I361-I412 HydrophobicContact CD1-CG2 3.72Å; I361-I412 HydrophobicContact CG2-CD1 4.2Å; I361-I412 HydrophobicContact CG2-CG2 4.33Å; I361-V414 HydrophobicContact CD1-CG2 3.84Å
362G96.8Very high89.7Confident1 Ų156.8 Ų56.81%0.0133%0.332CS..EExtended strand (participates in β ladder)trans-133166.6165.800000111.2I349 N350 T396I349-G362 CarbonylContact C-O 3.58Å; I349-G362 WeakPolarHBondContact CA-O 3.36Å; N350-G362 PolarHBondContact N-O 3.49Å; N350-G362 PolarHBondContact O-N 3.48Å; N350-G362 WeakPolarHBondContact OD1-CA 3.32Å; N350-G362 PolarHBondContact OD1-N 3.01Å; N350-G362 VanDerWaalsContact OD1-N 3.14Å; N350-G362 PolarHBondContact OD1-O 3.31Å; G362-T396 CarbonylContact C-O 3.45Å; G362-T396 WeakPolarHBondContact CA-O 3.31Å
363W96.4Very high88.8Confident4 Ų455.7 Ų55.72%0.01534%0.338CS..EExtended strand (participates in β ladder)trans-155166175.760.293.5000110.6P346 I361 Y378 V380 V390 T396 S398 V414P346-W363 HydrophobicContact CB-CG 4.39Å; I361-W363 HydrophobicContact CD1-CE3 3.97Å; I361-W363 HydrophobicContact CD1-CZ3 3.75Å; I361-W363 HydrophobicContact CG1-CE3 4.46Å; I361-W363 HydrophobicContact CG1-CZ3 4.14Å; W363-Y378 HydrophobicContact CZ2-CD2 4.07Å; W363-Y378 HydrophobicContact CZ2-CG 4.05Å; W363-Y378 AromaticContact NE1-CD1 3.65Å; W363-Y378 AromaticContact NE1-CD2 3.75Å; W363-Y378 AromaticContact NE1-CE1 3.78Å; W363-Y378 AromaticContact NE1-CE2 3.88Å; W363-Y378 AromaticContact NE1-CG 3.62Å; W363-Y378 AromaticContact NE1-CZ 3.89Å; W363-V380 HydrophobicContact CH2-CG2 3.68Å; W363-V380 HydrophobicContact CZ2-CG2 4.47Å; W363-V380 HydrophobicContact CZ3-CG2 4.04Å; W363-V390 HydrophobicContact CH2-CG2 4.08Å; W363-V390 HydrophobicContact CZ2-CB 4.39Å; W363-V390 HydrophobicContact CZ2-CG2 4.32Å; W363-T396 PolarHBondContact N-O 3.14Å; W363-T396 WeakPolarHBondContact O-CB 3.13Å; W363-T396 PolarHBondContact O-OG1 3.09Å; W363-S398 WeakPolarHBondContact CH2-OG 3.23Å; W363-V414 HydrophobicContact CD2-CB 4.48Å; W363-V414 HydrophobicContact CD2-CG1 3.86Å; W363-V414 HydrophobicContact CD2-CG2 4.12Å; W363-V414 HydrophobicContact CE3-CG1 4.31Å; W363-V414 HydrophobicContact CE3-CG2 3.86Å; W363-V414 HydrophobicContact CG-CG1 4.18Å; W363-V414 HydrophobicContact CH2-CG1 4.49Å; W363-V414 HydrophobicContact CZ2-CG1 4.08Å; W363-V414 HydrophobicContact CZ3-CG2 4.23Å
364D94.8Very high88.4Confident47 Ų4754.9 Ų54.925%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-98148.4171.7-70.8-7.2000110.5P346 R347 R348P346-D364 WeakPolarHBondContact CA-O 3.26Å; R347-D364 HydrophobicContact CB-CB 4.46Å; R347-D364 PolarHBondContact N-O 3.13Å; R347-D364 PolarHBondContact O-N 3.16Å; R348-D364 HydrophobicContact CB-CB 4.32Å; R348-D364 WeakPolarHBondContact CD-OD2 3.22Å; R348-D364 IonicContact CZ-OD2 3.89Å; R348-D364 IonicContact NE-OD2 3.99Å; R348-D364 PolarHBondContact NE-OD2 3.04Å; R348-D364 IonicContact NH1-OD2 2.72Å; R348-D364 PolarHBondContact NH1-OD2 3.45Å
365P92.4Very high88.3Confident61 Ų6151 Ų5140%0.39633%0.329SS..PPolyproline II helixtrans-61.8152.6173.827.1-34.2000111.7Y378P365-Y378 WeakPolarHBondContact CB-OH 3.5Å
366P91.3Very high88.2Confident10 Ų1051.4 Ų51.47%0.06534%0.338CS..PPolyproline II helixtrans-59.9151.4172.522.4-31.9000111.8P344 Y345 I375P344-P366 HydrophobicContact CB-CB 3.77Å; P344-P366 HydrophobicContact CB-CG 4.43Å; Y345-P366 VanDerWaalsContact O-CA 3.31Å; Y345-P366 WeakPolarHBondContact O-CA 3.43Å; Y345-P366 VanDerWaalsContact O-CB 3.23Å; Y345-P366 WeakPolarHBondContact O-CB 3.49Å; P366-I375 HydrophobicContact CB-CD1 4.3Å; P366-I375 HydrophobicContact CG-CD1 3.13Å
367V86.3Confident88.5Confident86 Ų8647.3 Ų47.352%0.52131%0.305SS..PPolyproline II helixtrans-77.3127.3161.5-173.40000107.2R347 P369R347-V367 VanDerWaalsContact NH2-CG2 3.29Å; V367-P369 WeakPolarHBondContact O-CD 3.25Å
368L83.3Confident88.6Confident71 Ų7140 Ų4037%0.37227%0.273SS..  trans-94.8112.4177.8-71174.4000109.2P344 I375P344-L368 HydrophobicContact CB-CD2 4.03Å; P344-L368 HydrophobicContact CG-CD2 3.95Å; L368-I375 HydrophobicContact CD1-CD1 4.31Å; L368-I375 HydrophobicContact CD2-CD1 3.52Å; L368-I375 HydrophobicContact CD2-CG1 4Å; L368-I375 HydrophobicContact CG-CD1 4.17Å
369P78Confident88.7Confident30 Ų3040.4 Ų40.420%0.19527%0.273CS..  trans-66.5154.5169-9.824.2000110.2V338 V367 G371 W372V338-P369 HydrophobicContact CG1-CG 3.94Å; V367-P369 WeakPolarHBondContact O-CD 3.25Å; P369-G371 PolarHBondContact O-N 3Å; P369-W372 HydrophobicContact CG-CG 4.4Å; P369-W372 PolarHBondContact O-N 3.36Å
370P75.2Confident88.7Confident129 Ų12940.4 Ų40.484%0.83827%0.273SS*.THydrogen-bonded Turntrans-53.7130.9176.4-24.133.8000111.4
371G74.1Confident88.7Confident76 Ų7638.2 Ų38.278%0.78426%0.262SS*.THydrogen-bonded Turntrans91.40174.500000117.2P369 G373P369-G371 PolarHBondContact O-N 3Å; G371-G373 PolarHBondContact O-N 2.76Å
372W74.1Confident88.8Confident16 Ų1638.3 Ų38.36%0.06126%0.262CS..  trans-77.1-13.3-177.4-95.788.8000116.8E340 D341 I342 V343 P344 P369 R420E340-W372 WeakPolarHBondContact O-CZ2 3.41Å; D341-W372 VanDerWaalsContact C-CZ2 3.42Å; I342-W372 VanDerWaalsContact N-CZ2 3.32Å; I342-W372 VanDerWaalsContact O-CH2 3.23Å; I342-W372 WeakPolarHBondContact O-CH2 3.49Å; I342-W372 WeakPolarHBondContact O-CZ2 3.31Å; V343-W372 HydrophobicContact CB-CZ3 4.32Å; V343-W372 HydrophobicContact CG2-CH2 4.31Å; V343-W372 HydrophobicContact CG2-CZ3 4.1Å; P344-W372 HydrophobicContact CG-CB 4.18Å; P344-W372 HydrophobicContact CG-CD2 3.76Å; P344-W372 HydrophobicContact CG-CE3 3.97Å; P344-W372 HydrophobicContact CG-CG 3.85Å; P369-W372 HydrophobicContact CG-CG 4.4Å; P369-W372 PolarHBondContact O-N 3.36Å; W372-R420 HydrophobicContact CZ3-CB 4.49Å; W372-R420 HydrophobicContact CZ3-CG 4.37Å
373G76.3Confident88.7Confident50 Ų5041.4 Ų41.452%0.51528%0.279SS..  trans81.7-168.6-178.400000114.2G371G371-G373 PolarHBondContact O-N 2.76Å
374S84.1Confident88.5Confident101 Ų10147.6 Ų47.671%0.70631%0.306SS*.  trans-92.2138-174.757.80000112.5
375I90.6Very high88.6Confident8 Ų851.4 Ų51.44%0.04132%0.322CS..  trans-83131.5170.4-62.5160.9000108.7P366 L368 G377 Y392 T418P366-I375 HydrophobicContact CB-CD1 4.3Å; P366-I375 HydrophobicContact CG-CD1 3.13Å; L368-I375 HydrophobicContact CD1-CD1 4.31Å; L368-I375 HydrophobicContact CD2-CD1 3.52Å; L368-I375 HydrophobicContact CD2-CG1 4Å; L368-I375 HydrophobicContact CG-CD1 4.17Å; I375-G377 WeakPolarHBondContact CG2-O 3.45Å; I375-Y392 HydrophobicContact CB-CD2 3.6Å; I375-Y392 HydrophobicContact CB-CE2 3.79Å; I375-Y392 HydrophobicContact CB-CG 4.04Å; I375-Y392 HydrophobicContact CD1-CD2 4.33Å; I375-Y392 HydrophobicContact CD1-CE2 3.74Å; I375-Y392 HydrophobicContact CG1-CE2 4.38Å; I375-Y392 HydrophobicContact CG2-CD2 3.51Å; I375-Y392 HydrophobicContact CG2-CE2 4.05Å; I375-Y392 HydrophobicContact CG2-CG 4.14Å; I375-Y392 WeakPolarHBondContact O-CB 3.38Å; I375-T418 HydrophobicContact CG1-CG2 4.09Å
376S90.6Very high88.8Confident75 Ų7552.1 Ų52.152%0.52433%0.326SS..  trans-80.9-35.6178.1600000112.6Y392 I417S376-Y392 WeakPolarHBondContact O-CB 3.45Å; S376-Y392 PolarHBondContact O-N 2.9Å; S376-I417 PolarHBondContact N-O 2.95Å; S376-I417 VanDerWaalsContact OG-CB 3.31Å; S376-I417 WeakPolarHBondContact OG-CB 3.15Å; S376-I417 VanDerWaalsContact OG-CG2 3.28Å; S376-I417 WeakPolarHBondContact OG-CG2 3.2Å; S376-I417 PolarHBondContact OG-O 2.72Å
377G93.9Very high89Confident3 Ų356.7 Ų56.73%0.03134%0.341CS..EExtended strand (participates in β ladder)trans174.3-159177.900000113.3I375 V390 S416 I417I375-G377 WeakPolarHBondContact CG2-O 3.45Å; G377-V390 CarbonylContact C-O 3.57Å; G377-V390 WeakPolarHBondContact CA-O 3.4Å; G377-S416 CarbonylContact O-C 3.59Å; G377-I417 PolarHBondContact O-N 3.02Å
378Y96.8Very high89.4Confident4 Ų455.8 Ų55.82%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-126138.8179.3-52.8-78.7000110.5P346 W363 P365 S389 V390 Y392 T396 V414 Q415P346-Y378 HydrophobicContact CB-CD1 4.41Å; P346-Y378 HydrophobicContact CB-CE1 4.31Å; P346-Y378 HydrophobicContact CG-CD1 3.66Å; P346-Y378 HydrophobicContact CG-CE1 3.84Å; W363-Y378 HydrophobicContact CZ2-CD2 4.07Å; W363-Y378 HydrophobicContact CZ2-CG 4.05Å; W363-Y378 AromaticContact NE1-CD1 3.65Å; W363-Y378 AromaticContact NE1-CD2 3.75Å; W363-Y378 AromaticContact NE1-CE1 3.78Å; W363-Y378 AromaticContact NE1-CE2 3.88Å; W363-Y378 AromaticContact NE1-CG 3.62Å; W363-Y378 AromaticContact NE1-CZ 3.89Å; P365-Y378 WeakPolarHBondContact CB-OH 3.5Å; Y378-S389 CarbonylContact O-C 3.56Å; Y378-S389 VanDerWaalsContact O-CA 3.25Å; Y378-S389 WeakPolarHBondContact O-CA 3.31Å; Y378-V390 HydrophobicContact CD2-CB 4.44Å; Y378-V390 PolarHBondContact N-O 2.83Å; Y378-V390 PolarHBondContact O-N 3.35Å; Y378-Y392 HydrophobicContact CE2-CD2 4.07Å; Y378-Y392 AromaticContact CZ-CD2 3.89Å; Y378-Y392 WeakPolarHBondContact OH-CE2 3.48Å; Y378-T396 HydrophobicContact CE2-CG2 4.29Å; Y378-V414 HydrophobicContact CD1-CG1 4.32Å; Y378-V414 HydrophobicContact CG-CG1 4.47Å; Y378-Q415 CarbonylContact C-O 3.56Å; Y378-Q415 WeakPolarHBondContact CA-O 3.34Å
379N96.6Very high89.9Confident25 Ų2556.3 Ų56.313%0.13434%0.342CS..EExtended strand (participates in β ladder)trans-99132.6164-79.2-26.5000109L381 V386 S389 V414 Q415 I417N379-L381 HydrophobicContact CB-CD1 4Å; N379-L381 WeakPolarHBondContact O-CD1 3.47Å; N379-V386 HydrophobicContact CB-CG1 4.22Å; N379-V386 HydrophobicContact CB-CG2 4.32Å; N379-S389 PolarHBondContact OD1-OG 3.22Å; N379-V414 CarbonylContact O-C 3.48Å; N379-V414 VanDerWaalsContact O-CA 3.32Å; N379-V414 WeakPolarHBondContact O-CA 3.47Å; N379-Q415 HydrophobicContact CB-CB 4.47Å; N379-Q415 PolarHBondContact N-O 2.92Å; N379-Q415 PolarHBondContact O-N 3.47Å; N379-I417 HydrophobicContact CB-CD1 4.37Å; N379-I417 VanDerWaalsContact CG-CD1 3.42Å; N379-I417 WeakPolarHBondContact ND2-CD1 3.33Å; N379-I417 VanDerWaalsContact OD1-CD1 3.29Å; N379-I417 WeakPolarHBondContact OD1-CD1 3.4Å
380V97.3Very high90.6Very high0 Ų055.7 Ų55.70%034%0.337CS..EExtended strand (participates in β ladder)trans-104.2116.6171.4-179.60000107.8I361 W363 R387 M388 V390 I400 I412 V414I361-V380 HydrophobicContact CD1-CG1 3.9Å; W363-V380 HydrophobicContact CH2-CG2 3.68Å; W363-V380 HydrophobicContact CZ2-CG2 4.47Å; W363-V380 HydrophobicContact CZ3-CG2 4.04Å; V380-R387 PolarHBondContact O-N 3.44Å; V380-M388 HydrophobicContact CB-CG 3.67Å; V380-M388 HydrophobicContact CB-SD 4.44Å; V380-M388 HydrophobicContact CG1-CG 4.38Å; V380-M388 HydrophobicContact CG2-CG 3.99Å; V380-M388 PolarHBondContact N-O 3.01Å; V380-M388 PolarHBondContact O-N 3.05Å; V380-V390 HydrophobicContact CG2-CG2 4.45Å; V380-I400 HydrophobicContact CG1-CD1 3.63Å; V380-I400 HydrophobicContact CG1-CG1 4.09Å; V380-I412 HydrophobicContact CG1-CG2 4.32Å; V380-V414 HydrophobicContact CG2-CG2 4.46Å
381L97.8Very high91.5Very high6 Ų654 Ų543%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-107.8142.3-174.1-5788.8000110.4N379 E385 V386 I412 S413 Q415N379-L381 HydrophobicContact CB-CD1 4Å; N379-L381 WeakPolarHBondContact O-CD1 3.47Å; L381-E385 CarbonylContact C-O 3.54Å; L381-E385 WeakPolarHBondContact CA-O 3.31Å; L381-V386 HydrophobicContact CD2-CG2 4.19Å; L381-V386 HydrophobicContact CG-CG2 4.15Å; L381-I412 VanDerWaalsContact O-CA 3.31Å; L381-I412 WeakPolarHBondContact O-CA 3.39Å; L381-S413 PolarHBondContact N-O 3.48Å; L381-S413 PolarHBondContact O-N 3Å; L381-Q415 HydrophobicContact CD1-CB 4.19Å; L381-Q415 HydrophobicContact CD1-CG 3.69Å
382V97.3Very high92.2Very high1 Ų155.2 Ų55.21%0.00631%0.308CS..EExtended strand (participates in β ladder)trans-119.5116.7167.4176.80000107.1K384 E385 R387 I400 L403 Y410 R411V382-K384 PolarHBondContact O-N 3.19Å; V382-E385 PolarHBondContact N-O 3.09Å; V382-E385 WeakPolarHBondContact O-CB 3.16Å; V382-E385 PolarHBondContact O-N 3.44Å; V382-R387 HydrophobicContact CB-CG 3.76Å; V382-R387 HydrophobicContact CG2-CB 4.44Å; V382-R387 HydrophobicContact CG2-CG 3.54Å; V382-I400 HydrophobicContact CG2-CD1 4.44Å; V382-I400 HydrophobicContact CG2-CG2 3.7Å; V382-L403 HydrophobicContact CG1-CD2 3.98Å; V382-L403 HydrophobicContact CG2-CD2 4.47Å; V382-Y410 HydrophobicContact CG1-CD1 3.63Å; V382-Y410 HydrophobicContact CG1-CE1 4.44Å; V382-Y410 HydrophobicContact CG1-CG 4.24Å; V382-R411 CarbonylContact C-O 3.6Å; V382-R411 WeakPolarHBondContact CA-O 3.48Å
383D94.5Very high92.6Very high67 Ų6758 Ų5836%0.35834%0.341SS..THydrogen-bonded Turntrans48.145.5-176.6-61.7-35.1000113.4E385 Y410 R411D383-E385 PolarHBondContact O-N 3.29Å; D383-Y410 WeakPolarHBondContact OD2-CD1 3.49Å; D383-R411 PolarHBondContact N-O 2.81Å; D383-R411 PolarHBondContact OD1-N 3Å; D383-R411 IonicContact OD1-NH1 3.06Å
384K93.9Very high92.9Very high134 Ų13457.4 Ų57.458%0.58334%0.335SS*.THydrogen-bonded Turntrans75-3.4-179.3-44.9-172.3175.6-165.80115.9V382 E425V382-K384 PolarHBondContact O-N 3.19Å; K384-E425 VanDerWaalsContact CE-OE1 3.25Å; K384-E425 WeakPolarHBondContact CE-OE1 3.25Å; K384-E425 IonicContact NZ-OE1 3.3Å
385E96.2Very high93.1Very high126 Ų12663.1 Ų63.159%0.58934%0.342SS*.EExtended strand (participates in β ladder)trans-90.7125.8174.2-62.9-177.2168.700110.5L381 V382 D383 R387L381-E385 CarbonylContact C-O 3.54Å; L381-E385 WeakPolarHBondContact CA-O 3.31Å; V382-E385 PolarHBondContact N-O 3.09Å; V382-E385 WeakPolarHBondContact O-CB 3.16Å; V382-E385 PolarHBondContact O-N 3.44Å; D383-E385 PolarHBondContact O-N 3.29Å; E385-R387 PolarHBondContact O-N 3.28Å; E385-R387 VanDerWaalsContact O-N 3.12Å
386V96Very high93.3Very high77 Ų7764.5 Ų64.547%0.46735%0.35SS..EExtended strand (participates in β ladder)trans-66113.4174-178.90000108.9N379 L381N379-V386 HydrophobicContact CB-CG1 4.22Å; N379-V386 HydrophobicContact CB-CG2 4.32Å; L381-V386 HydrophobicContact CD2-CG2 4.19Å; L381-V386 HydrophobicContact CG-CG2 4.15Å
387R95.6Very high93.5Very high106 Ų10667.3 Ų67.340%0.435%0.353SS..EExtended strand (participates in β ladder)trans-89.9-32.1176.3-71.5-61.6-172.294.8-1.5112.2V380 V382 E385V380-R387 PolarHBondContact O-N 3.44Å; V382-R387 HydrophobicContact CB-CG 3.76Å; V382-R387 HydrophobicContact CG2-CB 4.44Å; V382-R387 HydrophobicContact CG2-CG 3.54Å; E385-R387 PolarHBondContact O-N 3.28Å; E385-R387 VanDerWaalsContact O-N 3.12Å
388M94.4Very high93.6Very high67 Ų6767.6 Ų67.633%0.3336%0.355SS..EExtended strand (participates in β ladder)trans-160.4158.8179.362.2-167.1-39.500111.7V380V380-M388 HydrophobicContact CB-CG 3.67Å; V380-M388 HydrophobicContact CB-SD 4.44Å; V380-M388 HydrophobicContact CG1-CG 4.38Å; V380-M388 HydrophobicContact CG2-CG 3.99Å; V380-M388 PolarHBondContact N-O 3.01Å; V380-M388 PolarHBondContact O-N 3.05Å
389S94.4Very high93.6Very high81 Ų8171.1 Ų71.157%0.56637%0.373SS*.EExtended strand (participates in β ladder)trans-120.7133.5173.6-54.40000109.8Y378 N379Y378-S389 CarbonylContact O-C 3.56Å; Y378-S389 VanDerWaalsContact O-CA 3.25Å; Y378-S389 WeakPolarHBondContact O-CA 3.31Å; N379-S389 PolarHBondContact OD1-OG 3.22Å
390V93.9Very high93.6Very high17 Ų1770.1 Ų70.110%0.10337%0.368CS..EExtended strand (participates in β ladder)trans-113.9123.6-178.8-178.60000108.5W363 G377 Y378 V380W363-V390 HydrophobicContact CH2-CG2 4.08Å; W363-V390 HydrophobicContact CZ2-CB 4.39Å; W363-V390 HydrophobicContact CZ2-CG2 4.32Å; G377-V390 CarbonylContact C-O 3.57Å; G377-V390 WeakPolarHBondContact CA-O 3.4Å; Y378-V390 HydrophobicContact CD2-CB 4.44Å; Y378-V390 PolarHBondContact N-O 2.83Å; Y378-V390 PolarHBondContact O-N 3.35Å; V380-V390 HydrophobicContact CG2-CG2 4.45Å
391P92.7Very high93.5Very high93 Ų9375.6 Ų75.660%0.60439%0.394SS*.EExtended strand (participates in β ladder)trans-64.9147.7179.727.2-34.3000111.5G394P391-G394 PolarHBondContact O-N 2.76Å
392Y89.6Confident93.3Very high102 Ų10283.9 Ų83.940%0.443%0.43SS..THydrogen-bonded Turntrans-64.5142.8175.8-170.4-102.3000110.8I375 S376 Y378 G394I375-Y392 HydrophobicContact CB-CD2 3.6Å; I375-Y392 HydrophobicContact CB-CE2 3.79Å; I375-Y392 HydrophobicContact CB-CG 4.04Å; I375-Y392 HydrophobicContact CD1-CD2 4.33Å; I375-Y392 HydrophobicContact CD1-CE2 3.74Å; I375-Y392 HydrophobicContact CG1-CE2 4.38Å; I375-Y392 HydrophobicContact CG2-CD2 3.51Å; I375-Y392 HydrophobicContact CG2-CE2 4.05Å; I375-Y392 HydrophobicContact CG2-CG 4.14Å; I375-Y392 WeakPolarHBondContact O-CB 3.38Å; S376-Y392 WeakPolarHBondContact O-CB 3.45Å; S376-Y392 PolarHBondContact O-N 2.9Å; Y378-Y392 HydrophobicContact CE2-CD2 4.07Å; Y378-Y392 AromaticContact CZ-CD2 3.89Å; Y378-Y392 WeakPolarHBondContact OH-CE2 3.48Å; Y392-G394 PolarHBondContact O-N 3.12Å
393G82.4Confident93.1Very high74 Ų7484 Ų8476%0.76343%0.43SS*.THydrogen-bonded Turntrans80.3-5.3-171.500000115
394G81.3Confident93.1Very high38 Ų3884.2 Ų84.239%0.39243%0.431SS..SBendtrans-76.5-177.1170.400000113.7P391 Y392 T396P391-G394 PolarHBondContact O-N 2.76Å; Y392-G394 PolarHBondContact O-N 3.12Å; G394-T396 PolarHBondContact O-N 3.13Å
395R88.4Confident93Very high221 Ų22178.3 Ų78.383%0.83441%0.406SS*.  trans-67.3126.6173.4-66.2179.6-179.5177.80.2109.6K397R395-K397 PolarHBondContact O-N 3.08Å
396T94.6Very high92.7Very high37 Ų3775.9 Ų75.923%0.22741%0.407CS..SBendtrans-81.549175.356.90000112G362 W363 Y378 G394G362-T396 CarbonylContact C-O 3.45Å; G362-T396 WeakPolarHBondContact CA-O 3.31Å; W363-T396 PolarHBondContact N-O 3.14Å; W363-T396 WeakPolarHBondContact O-CB 3.13Å; W363-T396 PolarHBondContact O-OG1 3.09Å; Y378-T396 HydrophobicContact CE2-CG2 4.29Å; G394-T396 PolarHBondContact O-N 3.13Å
397K95.4Very high92.6Very high134 Ų13476 Ų7658%0.58341%0.408SS*.EExtended strand (participates in β ladder)trans-140.7145.6178.5-64.4-176.5-179.4179.90109.2I352 I361 R395I352-K397 HydrophobicContact CD1-CD 3.75Å; I352-K397 HydrophobicContact CD1-CG 3.94Å; I361-K397 CarbonylContact O-C 3.5Å; I361-K397 VanDerWaalsContact O-CA 3.25Å; I361-K397 WeakPolarHBondContact O-CA 3.21Å; R395-K397 PolarHBondContact O-N 3.08Å
398S95.6Very high92.5Very high10 Ų1074.2 Ų74.27%0.0741%0.407CS..EExtended strand (participates in β ladder)trans-149.4142.1-179.9-73.20000112.4I360 I361 W363I360-S398 WeakPolarHBondContact CA-O 3.19Å; I361-S398 PolarHBondContact N-O 3.22Å; I361-S398 PolarHBondContact O-N 3.45Å; W363-S398 WeakPolarHBondContact CH2-OG 3.23Å
399L96.6Very high92.5Very high77 Ų7774 Ų7440%0.40341%0.409SS..EExtended strand (participates in β ladder)trans-97122.3171.3172.367.1000108.3V359 I360 E401V359-L399 WeakPolarHBondContact O-CA 3.39Å; I360-L399 HydrophobicContact CG1-CD1 3.77Å; L399-E401 HydrophobicContact CD1-CG 4.43Å; L399-E401 HydrophobicContact CD2-CG 4.02Å; L399-E401 HydrophobicContact CG-CG 3.89Å
400I96.9Very high92.6Very high5 Ų571.5 Ų71.53%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-110114.5177.8-55.4163.3000107.5S358 V359 I361 V380 V382 L403 I412S358-I400 CarbonylContact C-O 3.59Å; S358-I400 WeakPolarHBondContact CA-O 3.45Å; S358-I400 WeakPolarHBondContact CB-O 3.5Å; V359-I400 HydrophobicContact CG2-CB 3.91Å; V359-I400 HydrophobicContact CG2-CD1 4.07Å; V359-I400 HydrophobicContact CG2-CG1 4.44Å; V359-I400 PolarHBondContact N-O 3.05Å; V359-I400 PolarHBondContact O-N 3.46Å; I361-I400 HydrophobicContact CD1-CD1 4.08Å; I361-I400 HydrophobicContact CG1-CD1 4.06Å; V380-I400 HydrophobicContact CG1-CD1 3.63Å; V380-I400 HydrophobicContact CG1-CG1 4.09Å; V382-I400 HydrophobicContact CG2-CD1 4.44Å; V382-I400 HydrophobicContact CG2-CG2 3.7Å; I400-L403 HydrophobicContact CB-CD1 4.39Å; I400-L403 HydrophobicContact CG2-CD1 3.88Å; I400-L403 HydrophobicContact CG2-CD2 4.18Å; I400-L403 HydrophobicContact CG2-CG 4.14Å; I400-I412 HydrophobicContact CD1-CD1 4.01Å; I400-I412 HydrophobicContact CD1-CG1 4.27Å; I400-I412 HydrophobicContact CD1-CG2 3.58Å
401E94.9Very high92.8Very high114 Ų11472.4 Ų72.453%0.53339%0.389SS..EExtended strand (participates in β ladder)trans-100.7172.9-177.5-57.2-172.7142.800112.5L399 L403L399-E401 HydrophobicContact CD1-CG 4.43Å; L399-E401 HydrophobicContact CD2-CG 4.02Å; L399-E401 HydrophobicContact CG-CG 3.89Å; E401-L403 PolarHBondContact O-N 3.23Å
402K93.6Very high93Very high181 Ų18168 Ų6879%0.78736%0.36SS*.SBendtrans61.342175.7-52.5176.3-178.4175.70112.7K357K357-K402 PolarHBondContact O-N 3.21Å; K357-K402 VanDerWaalsContact O-N 3.12Å
403L94.6Very high93.4Very high3 Ų363.1 Ų63.12%0.01634%0.341CS..  trans-102.4138.9172.4-58.7-179.4000109.9K357 V359 V382 I400 E401 L405 Y410K357-L403 CarbonylContact C-O 3.5Å; K357-L403 WeakPolarHBondContact CA-O 3.23Å; K357-L403 PolarHBondContact O-N 3.25Å; V359-L403 HydrophobicContact CG1-CD1 4.21Å; V359-L403 HydrophobicContact CG2-CD1 3.73Å; V382-L403 HydrophobicContact CG1-CD2 3.98Å; V382-L403 HydrophobicContact CG2-CD2 4.47Å; I400-L403 HydrophobicContact CB-CD1 4.39Å; I400-L403 HydrophobicContact CG2-CD1 3.88Å; I400-L403 HydrophobicContact CG2-CD2 4.18Å; I400-L403 HydrophobicContact CG2-CG 4.14Å; E401-L403 PolarHBondContact O-N 3.23Å; L403-L405 HydrophobicContact CB-CD2 3.69Å; L403-L405 HydrophobicContact CB-CG 4.01Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.21Å; L403-Y410 HydrophobicContact CB-CD2 4.31Å; L403-Y410 HydrophobicContact CB-CE2 4.06Å; L403-Y410 HydrophobicContact CD2-CD1 4.16Å; L403-Y410 HydrophobicContact CD2-CD2 4.35Å; L403-Y410 HydrophobicContact CD2-CE1 4.24Å; L403-Y410 HydrophobicContact CD2-CE2 4.4Å; L403-Y410 HydrophobicContact CD2-CG 4.22Å
404N93.4Very high94.1Very high72 Ų7259.6 Ų59.639%0.38531%0.305SS..  trans-9976.9171.9-173.4-4.7000110.4A406 T407 N408 Y410N404-A406 PolarHBondContact O-N 2.95Å; N404-T407 PolarHBondContact ND2-OG1 2.91Å; N404-T407 PolarHBondContact O-N 3.15Å; N404-T407 PolarHBondContact OD1-OG1 3.39Å; N404-N408 WeakPolarHBondContact O-CB 3.38Å; N404-N408 PolarHBondContact O-N 3.01Å; N404-Y410 PolarHBondContact N-OH 3.48Å
405L92.9Very high94.9Very high10 Ų1059 Ų595%0.05229%0.292CS..THydrogen-bonded Turntrans-72-15.8-173.3-57.4-175.2000113.8Q354 L355 V359 L403 Y410 V432 G433 K434Q354-L405 HydrophobicContact CG-CD1 3.48Å; Q354-L405 VanDerWaalsContact CG-CD1 3.48Å; L355-L405 WeakPolarHBondContact O-CD1 3.4Å; V359-L405 HydrophobicContact CG1-CD1 3.51Å; V359-L405 HydrophobicContact CG1-CD2 4.39Å; L403-L405 HydrophobicContact CB-CD2 3.69Å; L403-L405 HydrophobicContact CB-CG 4.01Å; L403-L405 HydrophobicContact CD1-CD2 4.04Å; L403-L405 PolarHBondContact O-N 3.21Å; L405-Y410 HydrophobicContact CD2-CD2 3.69Å; L405-Y410 HydrophobicContact CD2-CE2 4.1Å; L405-V432 HydrophobicContact CD2-CG2 3.95Å; L405-G433 CarbonylContact O-C 3.53Å; L405-K434 PolarHBondContact O-N 3.32Å; L405-K434 VanDerWaalsContact O-N 3.13Å
406A90.4Very high95.2Very high74 Ų7448.4 Ų48.461%0.61225%0.252SS*.THydrogen-bonded Turntrans-76.6-32-179.900000112.3N404 K434N404-A406 PolarHBondContact O-N 2.95Å; A406-K434 WeakPolarHBondContact O-CD 3.4Å
407T92.7Very high95.1Very high79 Ų7948.6 Ų48.649%0.48525%0.251SS..THydrogen-bonded Turntrans-111-25.4-177.766.50000113.2N404N404-T407 PolarHBondContact ND2-OG1 2.91Å; N404-T407 PolarHBondContact O-N 3.15Å; N404-T407 PolarHBondContact OD1-OG1 3.39Å
408N94.2Very high94.9Very high70 Ų7043 Ų4337%0.37423%0.228SC..  trans-120.9151.7-169.9-55.3-22000111.5N404 Y410 K434N404-N408 WeakPolarHBondContact O-CB 3.38Å; N404-N408 PolarHBondContact O-N 3.01Å; N408-Y410 HydrophobicContact CB-CD2 4.35Å; N408-Y410 HydrophobicContact CB-CE2 3.63Å; N408-Y410 PolarHBondContact ND2-OH 3.3Å; N408-Y410 VanDerWaalsContact ND2-OH 3.09Å; N408-K434 PolarHBondContact O-N 2.95Å; N408-K434 VanDerWaalsContact O-N 3.16Å
409T95Very high94.6Very high62 Ų6248.8 Ų48.838%0.3826%0.258SS..EExtended strand (participates in β ladder)trans-101.3131.8167.6-42.70000108.1L431 V432 K434 V436T409-L431 HydrophobicContact CG2-CB 4.38Å; T409-L431 HydrophobicContact CG2-CD2 4.37Å; T409-V432 CarbonylContact C-O 3.49Å; T409-V432 WeakPolarHBondContact CA-O 3.37Å; T409-K434 PolarHBondContact OG1-O 3.48Å; T409-V436 HydrophobicContact CG2-CG2 3.71Å
410Y96.4Very high94.2Very high29 Ų2951.5 Ų51.511%0.11426%0.263CS..EExtended strand (participates in β ladder)trans-119.2142.4177.8-64.5-85.1000110V382 D383 L403 N404 L405 N408 L431 V432V382-Y410 HydrophobicContact CG1-CD1 3.63Å; V382-Y410 HydrophobicContact CG1-CE1 4.44Å; V382-Y410 HydrophobicContact CG1-CG 4.24Å; D383-Y410 WeakPolarHBondContact OD2-CD1 3.49Å; L403-Y410 HydrophobicContact CB-CD2 4.31Å; L403-Y410 HydrophobicContact CB-CE2 4.06Å; L403-Y410 HydrophobicContact CD2-CD1 4.16Å; L403-Y410 HydrophobicContact CD2-CD2 4.35Å; L403-Y410 HydrophobicContact CD2-CE1 4.24Å; L403-Y410 HydrophobicContact CD2-CE2 4.4Å; L403-Y410 HydrophobicContact CD2-CG 4.22Å; N404-Y410 PolarHBondContact N-OH 3.48Å; L405-Y410 HydrophobicContact CD2-CD2 3.69Å; L405-Y410 HydrophobicContact CD2-CE2 4.1Å; N408-Y410 HydrophobicContact CB-CD2 4.35Å; N408-Y410 HydrophobicContact CB-CE2 3.63Å; N408-Y410 PolarHBondContact ND2-OH 3.3Å; N408-Y410 VanDerWaalsContact ND2-OH 3.09Å; Y410-L431 WeakPolarHBondContact O-CA 3.44Å; Y410-V432 PolarHBondContact N-O 3.35Å; Y410-V432 PolarHBondContact O-N 2.9Å
411R96.7Very high93.9Very high35 Ų3552.3 Ų52.313%0.13227%0.273CS..EExtended strand (participates in β ladder)trans-97.2125.2167.1-176.4-179.3-56.77913.1110.4V382 D383 L431 Y441V382-R411 CarbonylContact C-O 3.6Å; V382-R411 WeakPolarHBondContact CA-O 3.48Å; D383-R411 PolarHBondContact N-O 2.81Å; D383-R411 PolarHBondContact OD1-N 3Å; D383-R411 IonicContact OD1-NH1 3.06Å; R411-L431 HydrophobicContact CB-CD2 3.79Å; R411-L431 HydrophobicContact CG-CD2 4.23Å; R411-Y441 PolarHBondContact NE-OH 3.05Å; R411-Y441 PolarHBondContact NH2-OH 3.19Å
412I97.8Very high93.8Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-107.3123.8176.4-56.8169.2000107.3V359 I361 V380 L381 I400 S429 L430 V432V359-I412 HydrophobicContact CG2-CD1 3.48Å; V359-I412 VanDerWaalsContact CG2-CD1 3.48Å; I361-I412 HydrophobicContact CD1-CG2 3.72Å; I361-I412 HydrophobicContact CG2-CD1 4.2Å; I361-I412 HydrophobicContact CG2-CG2 4.33Å; V380-I412 HydrophobicContact CG1-CG2 4.32Å; L381-I412 VanDerWaalsContact O-CA 3.31Å; L381-I412 WeakPolarHBondContact O-CA 3.39Å; I400-I412 HydrophobicContact CD1-CD1 4.01Å; I400-I412 HydrophobicContact CD1-CG1 4.27Å; I400-I412 HydrophobicContact CD1-CG2 3.58Å; I412-S429 CarbonylContact O-C 3.51Å; I412-S429 WeakPolarHBondContact O-CA 3.41Å; I412-L430 HydrophobicContact CB-CD1 4.45Å; I412-L430 HydrophobicContact CD1-CD1 4.45Å; I412-L430 PolarHBondContact N-O 2.92Å; I412-L430 PolarHBondContact O-N 3.33Å; I412-V432 HydrophobicContact CD1-CB 4.36Å; I412-V432 HydrophobicContact CD1-CG1 3.84Å; I412-V432 HydrophobicContact CD1-CG2 3.52Å; I412-V432 HydrophobicContact CG1-CG2 4.15Å
413S97.8Very high93.9Very high0 Ų041.8 Ų41.80%023%0.233CC..EExtended strand (participates in β ladder)trans-126.3147.1179.7-47.40000109.9L381 E425 C428 S429L381-S413 PolarHBondContact N-O 3.48Å; L381-S413 PolarHBondContact O-N 3Å; S413-E425 WeakPolarHBondContact CB-O 3.38Å; S413-C428 CarbonylContact C-O 3.45Å; S413-C428 VanDerWaalsContact CA-O 3.31Å; S413-C428 WeakPolarHBondContact CA-O 3.48Å; S413-S429 WeakPolarHBondContact OG-CB 3.21Å
414V97.6Very high93.8Very high0 Ų043.9 Ų43.90%024%0.244CC..EExtended strand (participates in β ladder)trans-122118175.4-171.50000108.8P346 I349 I361 W363 Y378 N379 V380 C428P346-V414 HydrophobicContact CB-CG1 4.29Å; P346-V414 HydrophobicContact CG-CB 4.42Å; P346-V414 HydrophobicContact CG-CG1 3.96Å; I349-V414 HydrophobicContact CD1-CG2 3.9Å; I361-V414 HydrophobicContact CD1-CG2 3.84Å; W363-V414 HydrophobicContact CD2-CB 4.48Å; W363-V414 HydrophobicContact CD2-CG1 3.86Å; W363-V414 HydrophobicContact CD2-CG2 4.12Å; W363-V414 HydrophobicContact CE3-CG1 4.31Å; W363-V414 HydrophobicContact CE3-CG2 3.86Å; W363-V414 HydrophobicContact CG-CG1 4.18Å; W363-V414 HydrophobicContact CH2-CG1 4.49Å; W363-V414 HydrophobicContact CZ2-CG1 4.08Å; W363-V414 HydrophobicContact CZ3-CG2 4.23Å; Y378-V414 HydrophobicContact CD1-CG1 4.32Å; Y378-V414 HydrophobicContact CG-CG1 4.47Å; N379-V414 CarbonylContact O-C 3.48Å; N379-V414 VanDerWaalsContact O-CA 3.32Å; N379-V414 WeakPolarHBondContact O-CA 3.47Å; V380-V414 HydrophobicContact CG2-CG2 4.46Å; V414-C428 PolarHBondContact N-O 3.05Å; V414-C428 WeakPolarHBondContact O-CB 3.27Å
415Q96.3Very high93.9Very high25 Ų2542.1 Ų42.112%0.11723%0.233CC..EExtended strand (participates in β ladder)trans-102.4142.7175.2-64.7178.5-52.800109.6Y378 N379 L381 P422 S423 E425Y378-Q415 CarbonylContact C-O 3.56Å; Y378-Q415 WeakPolarHBondContact CA-O 3.34Å; N379-Q415 HydrophobicContact CB-CB 4.47Å; N379-Q415 PolarHBondContact N-O 2.92Å; N379-Q415 PolarHBondContact O-N 3.47Å; L381-Q415 HydrophobicContact CD1-CB 4.19Å; L381-Q415 HydrophobicContact CD1-CG 3.69Å; Q415-P422 HydrophobicContact CB-CB 4.32Å; Q415-S423 WeakPolarHBondContact CA-OG 3.16Å; Q415-S423 VanDerWaalsContact CD-O 3.29Å; Q415-S423 VanDerWaalsContact CG-O 3.23Å; Q415-S423 WeakPolarHBondContact CG-O 3.32Å; Q415-S423 PolarHBondContact NE2-O 2.98Å; Q415-E425 HydrophobicContact CG-CB 4.23Å
416S94.8Very high94Very high0 Ų042.4 Ų42.40%024%0.235CC..EExtended strand (participates in β ladder)trans-77.8156.3159.971.80000109P344 G377 P422 S423P344-S416 VanDerWaalsContact O-CB 3.3Å; P344-S416 WeakPolarHBondContact O-CB 3.19Å; P344-S416 PolarHBondContact O-OG 2.83Å; G377-S416 CarbonylContact O-C 3.59Å; S416-P422 CarbonylContact O-C 3.39Å; S416-P422 WeakPolarHBondContact O-CA 3.18Å; S416-S423 PolarHBondContact N-OG 2.84Å; S416-S423 PolarHBondContact O-N 3.48Å; S416-S423 WeakPolarHBondContact OG-CB 3.25Å; S416-S423 PolarHBondContact OG-OG 2.98Å
417I93.6Very high94.2Very high41 Ų4141.1 Ų41.121%0.2121%0.214CC..EExtended strand (participates in β ladder)trans-120.2115.6176.2-50169.5000107.9S376 G377 N379S376-I417 PolarHBondContact N-O 2.95Å; S376-I417 VanDerWaalsContact OG-CB 3.31Å; S376-I417 WeakPolarHBondContact OG-CB 3.15Å; S376-I417 VanDerWaalsContact OG-CG2 3.28Å; S376-I417 WeakPolarHBondContact OG-CG2 3.2Å; S376-I417 PolarHBondContact OG-O 2.72Å; G377-I417 PolarHBondContact O-N 3.02Å; N379-I417 HydrophobicContact CB-CD1 4.37Å; N379-I417 VanDerWaalsContact CG-CD1 3.42Å; N379-I417 WeakPolarHBondContact ND2-CD1 3.33Å; N379-I417 VanDerWaalsContact OD1-CD1 3.29Å; N379-I417 WeakPolarHBondContact OD1-CD1 3.4Å
418T91.7Very high94.3Very high15 Ų1537.3 Ų37.39%0.09219%0.191CC..EExtended strand (participates in β ladder)trans-115.8175.8174.972.20000110.7V343 I375 R420 G421V343-T418 HydrophobicContact CG1-CG2 3.79Å; I375-T418 HydrophobicContact CG1-CG2 4.09Å; T418-R420 PolarHBondContact O-N 3.38Å; T418-R420 PolarHBondContact OG1-N 2.95Å; T418-G421 PolarHBondContact N-O 2.69Å; T418-G421 PolarHBondContact O-N 3.15Å; T418-G421 VanDerWaalsContact O-N 3.16Å; T418-G421 PolarHBondContact OG1-O 2.94Å; T418-G421 VanDerWaalsContact OG1-O 3.05Å
419D88.6Confident94.5Very high132 Ų13234 Ų3471%0.70617%0.174SC*.THydrogen-bonded Turntrans-60.9-29.6169.559-16.6000113G421D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.32Å
420R88.2Confident94.5Very high134 Ų13431.3 Ų31.351%0.50616%0.157SC..THydrogen-bonded Turntrans-80.9-3.1174.2-55.4-160.3-171-172.85.4114.2D341 V343 W372 T418D341-R420 IonicContact OD1-NH1 3.93Å; D341-R420 PolarHBondContact OD1-NH1 2.78Å; V343-R420 HydrophobicContact CG2-CB 4.4Å; W372-R420 HydrophobicContact CZ3-CB 4.49Å; W372-R420 HydrophobicContact CZ3-CG 4.37Å; T418-R420 PolarHBondContact O-N 3.38Å; T418-R420 PolarHBondContact OG1-N 2.95Å
421G90.6Very high94.5Very high22 Ų2231.1 Ų31.123%0.22716%0.158CC..EExtended strand (participates in β ladder)trans113.6-172.9179.900000113.8T418 D419T418-G421 PolarHBondContact N-O 2.69Å; T418-G421 PolarHBondContact O-N 3.15Å; T418-G421 VanDerWaalsContact O-N 3.16Å; T418-G421 PolarHBondContact OG1-O 2.94Å; T418-G421 VanDerWaalsContact OG1-O 3.05Å; D419-G421 VanDerWaalsContact C-N 3.28Å; D419-G421 PolarHBondContact O-N 3.32Å
422P93.4Very high94.4Very high74 Ų7429.5 Ų29.548%0.48115%0.152SC..EExtended strand (participates in β ladder)trans-78.2148.7-18031.7-33.9000112Q415 S416Q415-P422 HydrophobicContact CB-CB 4.32Å; S416-P422 CarbonylContact O-C 3.39Å; S416-P422 WeakPolarHBondContact O-CA 3.18Å
423S94.6Very high94.2Very high0 Ų030.1 Ų30.10%016%0.158CC..PPolyproline II helixtrans-67.3162171.371.90000112.6Q415 S416 E425Q415-S423 WeakPolarHBondContact CA-OG 3.16Å; Q415-S423 VanDerWaalsContact CD-O 3.29Å; Q415-S423 VanDerWaalsContact CG-O 3.23Å; Q415-S423 WeakPolarHBondContact CG-O 3.32Å; Q415-S423 PolarHBondContact NE2-O 2.98Å; S416-S423 PolarHBondContact N-OG 2.84Å; S416-S423 PolarHBondContact O-N 3.48Å; S416-S423 WeakPolarHBondContact OG-CB 3.25Å; S416-S423 PolarHBondContact OG-OG 2.98Å; S423-E425 PolarHBondContact O-N 3.37Å
424D93.9Very high93.8Very high48 Ų4834.7 Ų34.726%0.25718%0.178SC..PPolyproline II helixtrans-56.7128.6174.5-174.2-18.3000111.8L426 R427 Y483D424-L426 PolarHBondContact O-N 3.18Å; D424-L426 PolarHBondContact OD1-N 3.12Å; D424-R427 HydrophobicContact CB-CB 4.47Å; D424-R427 HydrophobicContact CB-CG 3.87Å; D424-Y483 VanDerWaalsContact CG-OH 3.31Å; D424-Y483 PolarHBondContact OD1-OH 2.69Å; D424-Y483 VanDerWaalsContact OD2-CE1 3.26Å; D424-Y483 WeakPolarHBondContact OD2-CE1 3.31Å; D424-Y483 VanDerWaalsContact OD2-CZ 3.3Å; D424-Y483 PolarHBondContact OD2-OH 3.37Å
425E94.1Very high93.4Very high34 Ų3439.5 Ų39.516%0.15920%0.204CC..SBendtrans-65.9-34.6-177.667178.4-17400112.9K384 S413 Q415 S423 R427K384-E425 VanDerWaalsContact CE-OE1 3.25Å; K384-E425 WeakPolarHBondContact CE-OE1 3.25Å; K384-E425 IonicContact NZ-OE1 3.3Å; S413-E425 WeakPolarHBondContact CB-O 3.38Å; Q415-E425 HydrophobicContact CG-CB 4.23Å; S423-E425 PolarHBondContact O-N 3.37Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.28Å
426L94.8Very high93.2Very high17 Ų1738.8 Ų38.89%0.08920%0.201CC..G310 helixtrans-78.2-20.1-173-68.1-180000112.8D424 C428 S429 M458 S462 Y483D424-L426 PolarHBondContact O-N 3.18Å; D424-L426 PolarHBondContact OD1-N 3.12Å; L426-C428 PolarHBondContact O-N 2.96Å; L426-S429 PolarHBondContact O-OG 3.33Å; L426-M458 HydrophobicContact CD1-CB 4.28Å; L426-M458 HydrophobicContact CD1-CG 4.5Å; L426-M458 HydrophobicContact CD2-CB 4.25Å; L426-M458 HydrophobicContact CD2-CE 4Å; L426-S462 WeakPolarHBondContact O-CB 3.46Å; L426-Y483 HydrophobicContact CB-CD1 3.86Å; L426-Y483 HydrophobicContact CB-CE1 3.66Å; L426-Y483 HydrophobicContact CB-CE2 4.4Å; L426-Y483 HydrophobicContact CB-CG 4.3Å; L426-Y483 HydrophobicContact CD1-CD2 3.79Å; L426-Y483 HydrophobicContact CD1-CE1 4.34Å; L426-Y483 HydrophobicContact CD1-CE2 3.54Å; L426-Y483 HydrophobicContact CD1-CG 4.29Å
427R94.4Very high93.2Very high46 Ų4640.6 Ų40.617%0.17421%0.212CC..G310 helixtrans-69.6-19.6179.5-67.4-166.9172.9-131.5-0.2113.4Y345 D424 E425 S462 Y483Y345-R427 HydrophobicContact CD1-CB 4.3Å; Y345-R427 HydrophobicContact CD1-CG 4.49Å; Y345-R427 HydrophobicContact CD2-CB 3.53Å; Y345-R427 HydrophobicContact CD2-CG 4.43Å; Y345-R427 HydrophobicContact CE2-CB 3.94Å; Y345-R427 HydrophobicContact CG-CB 3.71Å; Y345-R427 HydrophobicContact CG-CG 4.37Å; Y345-R427 PolarHBondContact OH-NH1 3.4Å; D424-R427 HydrophobicContact CB-CB 4.47Å; D424-R427 HydrophobicContact CB-CG 3.87Å; E425-R427 VanDerWaalsContact C-N 3.32Å; E425-R427 PolarHBondContact O-N 3.28Å; R427-S462 WeakPolarHBondContact O-CB 3.21Å; R427-S462 PolarHBondContact O-OG 3.17Å; R427-Y483 HydrophobicContact CG-CE1 4.31Å
428C96.3Very high93.3Very high0 Ų038.7 Ų38.70%020%0.202CC..G310 helixtrans-140.577.1176.3-162.50000110.5P346 S413 V414 L426 S462P346-C428 VanDerWaalsContact C-SG 3.54Å; P346-C428 HydrophobicContact CB-CB 4.33Å; P346-C428 WeakPolarHBondContact O-CB 3.36Å; P346-C428 PolarHBondContact O-SG 3.25Å; S413-C428 CarbonylContact C-O 3.45Å; S413-C428 VanDerWaalsContact CA-O 3.31Å; S413-C428 WeakPolarHBondContact CA-O 3.48Å; V414-C428 PolarHBondContact N-O 3.05Å; V414-C428 WeakPolarHBondContact O-CB 3.27Å; L426-C428 PolarHBondContact O-N 2.96Å; C428-S462 WeakPolarHBondContact CA-OG 3.02Å
429S97Very high93.5Very high1 Ų138.4 Ų38.41%0.00720%0.201CC..EExtended strand (participates in β ladder)trans-143.8153.6-175.165.90000113.3I412 S413 L426 N461 S462I412-S429 CarbonylContact O-C 3.51Å; I412-S429 WeakPolarHBondContact O-CA 3.41Å; S413-S429 WeakPolarHBondContact OG-CB 3.21Å; L426-S429 PolarHBondContact O-OG 3.33Å; S429-N461 WeakPolarHBondContact O-CA 3.27Å; S429-S462 PolarHBondContact N-OG 3.25Å; S429-S462 PolarHBondContact O-N 3.41Å; S429-S462 PolarHBondContact O-OG 3.16Å
430L96.3Very high93.9Very high4 Ų432.2 Ų32.22%0.02117%0.168CC..EExtended strand (participates in β ladder)trans-145.9156.5169.963.377000111.7I349 L351 I412 V432 S460 N461I349-L430 HydrophobicContact CB-CD2 4.45Å; I349-L430 HydrophobicContact CD1-CD2 4.19Å; I349-L430 HydrophobicContact CD1-CG 4.01Å; I349-L430 HydrophobicContact CG1-CD2 3.81Å; I349-L430 HydrophobicContact CG1-CG 4.2Å; I349-L430 HydrophobicContact CG2-CB 4.39Å; I349-L430 HydrophobicContact CG2-CD2 4.16Å; I349-L430 HydrophobicContact CG2-CG 4.42Å; L351-L430 HydrophobicContact CB-CD2 4.23Å; I412-L430 HydrophobicContact CB-CD1 4.45Å; I412-L430 HydrophobicContact CD1-CD1 4.45Å; I412-L430 PolarHBondContact N-O 2.92Å; I412-L430 PolarHBondContact O-N 3.33Å; L430-V432 HydrophobicContact CD1-CG1 3.29Å; L430-S460 CarbonylContact C-O 3.54Å; L430-S460 WeakPolarHBondContact CA-O 3.34Å; L430-N461 HydrophobicContact CB-CB 4.43Å
431L96.3Very high94.2Very high26 Ų2627.9 Ų27.914%0.13615%0.152CC..EExtended strand (participates in β ladder)trans-92.5141171.6-66.3-178.1000111.4T409 Y410 R411 V436 Y441 S460T409-L431 HydrophobicContact CG2-CB 4.38Å; T409-L431 HydrophobicContact CG2-CD2 4.37Å; Y410-L431 WeakPolarHBondContact O-CA 3.44Å; R411-L431 HydrophobicContact CB-CD2 3.79Å; R411-L431 HydrophobicContact CG-CD2 4.23Å; L431-V436 HydrophobicContact CB-CG1 3.85Å; L431-V436 HydrophobicContact CB-CG2 4.01Å; L431-Y441 HydrophobicContact CD1-CD1 4.02Å; L431-Y441 HydrophobicContact CD1-CE1 3.6Å; L431-Y441 HydrophobicContact CG-CE1 4.27Å; L431-S460 PolarHBondContact N-O 3.34Å
432V95Very high94.4Very high1 Ų135.2 Ų35.21%0.00617%0.174CC..EExtended strand (participates in β ladder)trans-134158.6172.2-58.90000111.4L351 V359 L405 T409 Y410 I412 L430L351-V432 HydrophobicContact CD1-CG1 3.97Å; L351-V432 HydrophobicContact CD2-CG1 4.03Å; V359-V432 HydrophobicContact CG1-CB 4.45Å; V359-V432 HydrophobicContact CG1-CG2 4.23Å; L405-V432 HydrophobicContact CD2-CG2 3.95Å; T409-V432 CarbonylContact C-O 3.49Å; T409-V432 WeakPolarHBondContact CA-O 3.37Å; Y410-V432 PolarHBondContact N-O 3.35Å; Y410-V432 PolarHBondContact O-N 2.9Å; I412-V432 HydrophobicContact CD1-CB 4.36Å; I412-V432 HydrophobicContact CD1-CG1 3.84Å; I412-V432 HydrophobicContact CD1-CG2 3.52Å; I412-V432 HydrophobicContact CG1-CG2 4.15Å; L430-V432 HydrophobicContact CD1-CG1 3.29Å
433G91.9Very high94.5Very high13 Ų1332.7 Ų32.713%0.13416%0.157CC..EExtended strand (participates in β ladder)trans102.7-147.7174.100000113.1L405L405-G433 CarbonylContact O-C 3.53Å
434K90.9Very high94.6Very high96 Ų9640 Ų4042%0.41718%0.184SC..THydrogen-bonded Turntrans-69.7144.8-172.7-158-164.6174-174.10111.3L405 A406 N408 T409 V436L405-K434 PolarHBondContact O-N 3.32Å; L405-K434 VanDerWaalsContact O-N 3.13Å; A406-K434 WeakPolarHBondContact O-CD 3.4Å; N408-K434 PolarHBondContact O-N 2.95Å; N408-K434 VanDerWaalsContact O-N 3.16Å; T409-K434 PolarHBondContact OG1-O 3.48Å; K434-V436 PolarHBondContact O-N 3.02Å
435D88.2Confident94.8Very high101 Ų10138.6 Ų38.654%0.5418%0.178SC..THydrogen-bonded Turntrans5623.8168.7-54.4-40.6000115.9V437D435-V437 PolarHBondContact O-N 3.46Å
436V93.4Very high94.8Very high10 Ų1038.5 Ų38.56%0.06118%0.178CC..  trans-68129.1177.2176.20000110.3T409 L431 K434 L511 Q515T409-V436 HydrophobicContact CG2-CG2 3.71Å; L431-V436 HydrophobicContact CB-CG1 3.85Å; L431-V436 HydrophobicContact CB-CG2 4.01Å; K434-V436 PolarHBondContact O-N 3.02Å; V436-L511 HydrophobicContact CB-CD2 4Å; V436-L511 HydrophobicContact CG1-CD2 3.92Å; V436-Q515 WeakPolarHBondContact O-CB 3.22Å; V436-Q515 VanDerWaalsContact O-CD 3.3Å; V436-Q515 PolarHBondContact O-OE1 2.95Å
437V94.9Very high94.6Very high38 Ų3840.3 Ų40.323%0.2320%0.201CC..  trans-121.2167.1177.2-63.10000111.1D435 A439 S460 Q515 K518D435-V437 PolarHBondContact O-N 3.46Å; V437-A439 HydrophobicContact CG2-CB 4.09Å; V437-S460 VanDerWaalsContact O-CB 3.24Å; V437-S460 WeakPolarHBondContact O-CB 3.41Å; V437-Q515 HydrophobicContact CG1-CB 4.08Å; V437-Q515 HydrophobicContact CG1-CG 4.1Å; V437-K518 HydrophobicContact CB-CB 4.09Å; V437-K518 HydrophobicContact CG1-CB 4.14Å; V437-K518 HydrophobicContact CG1-CD 3.94Å
438V95.5Very high94.6Very high0 Ų040.2 Ų40.20%020%0.203CC..SBendtrans-72.1-32.8176.4174.20000111.6S460 Y464 A502 P504 P508 L511 Q515 K518 R519V438-S460 PolarHBondContact O-OG 3.08Å; V438-Y464 HydrophobicContact CB-CE2 4.48Å; V438-Y464 HydrophobicContact CG1-CD2 4.17Å; V438-Y464 HydrophobicContact CG1-CE2 3.89Å; V438-A502 HydrophobicContact CG1-CB 3.97Å; V438-A502 WeakPolarHBondContact O-CB 3.34Å; V438-P504 HydrophobicContact CG1-CG 3.55Å; V438-P508 HydrophobicContact CG2-CG 4.1Å; V438-L511 HydrophobicContact CG2-CD1 3.9Å; V438-Q515 PolarHBondContact N-O 3.24Å; V438-K518 CarbonylContact C-O 3.53Å; V438-K518 PolarHBondContact N-O 3.49Å; V438-R519 HydrophobicContact CB-CG 4.02Å; V438-R519 HydrophobicContact CG1-CB 4.29Å; V438-R519 HydrophobicContact CG1-CG 3.79Å
439A96.1Very high94.3Very high9 Ų942.2 Ų42.27%0.07422%0.216CC..SBendtrans-57.4141.8-178.400000112.4V437 S460 K518V437-A439 HydrophobicContact CG2-CB 4.09Å; A439-S460 WeakPolarHBondContact O-CB 3.49Å; A439-K518 WeakPolarHBondContact CB-O 3.12Å; A439-K518 PolarHBondContact N-O 2.98Å
440P96.4Very high93.8Very high3 Ų343.1 Ų43.12%0.01922%0.22CC..  trans-68.9165166.128.3-25.5000110.2W457 M458 V500 I521P440-W457 HydrophobicContact CB-CB 4.37Å; P440-W457 HydrophobicContact CB-CG 4.27Å; P440-M458 CarbonylContact C-O 3.48Å; P440-M458 WeakPolarHBondContact CA-O 3.17Å; P440-M458 WeakPolarHBondContact CB-O 3.37Å; P440-V500 HydrophobicContact CG-CB 4.4Å; P440-V500 HydrophobicContact CG-CG1 3.99Å; P440-I521 HydrophobicContact CB-CG2 4.44Å; P440-I521 HydrophobicContact CG-CG2 3.71Å
441Y94.2Very high93.4Very high42 Ų4244.5 Ų44.517%0.16523%0.23CC..EExtended strand (participates in β ladder)trans-135.4166.9-176.257.5-74.8000110.2R411 L431 L443 M458 P459R411-Y441 PolarHBondContact NE-OH 3.05Å; R411-Y441 PolarHBondContact NH2-OH 3.19Å; L431-Y441 HydrophobicContact CD1-CD1 4.02Å; L431-Y441 HydrophobicContact CD1-CE1 3.6Å; L431-Y441 HydrophobicContact CG-CE1 4.27Å; Y441-L443 PolarHBondContact O-N 3.43Å; Y441-M458 VanDerWaalsContact CD1-O 3.25Å; Y441-M458 WeakPolarHBondContact CD1-O 3.26Å; Y441-M458 HydrophobicContact CD2-SD 4.18Å; Y441-M458 HydrophobicContact CE1-CB 4.49Å; Y441-M458 WeakPolarHBondContact CE1-O 3.13Å; Y441-M458 HydrophobicContact CE2-CB 4.24Å; Y441-M458 HydrophobicContact CE2-CE 4.02Å; Y441-M458 HydrophobicContact CE2-CG 4.25Å; Y441-M458 HydrophobicContact CE2-SD 3.33Å; Y441-M458 WeakPolarHBondContact CE2-SD 3.36Å; Y441-M458 PolarHBondContact N-O 3.43Å; Y441-M458 WeakPolarHBondContact O-CA 3.36Å; Y441-M458 PolarHBondContact O-N 2.77Å; Y441-M458 WeakPolarHBondContact OH-CE 3.45Å; Y441-P459 WeakPolarHBondContact CE1-O 3.03Å; Y441-P459 PolarHBondContact OH-O 3.28Å
442Y94.4Very high93.1Very high176 Ų17644 Ų4469%0.6923%0.229SC*.EExtended strand (participates in β ladder)trans49.155.3-173-62.9-64.1000113.7R444 M458Y442-R444 PolarHBondContact O-N 2.78Å; Y442-M458 HydrophobicContact CD2-SD 3.56Å; Y442-M458 VanDerWaalsContact CD2-SD 3.56Å; Y442-M458 HydrophobicContact CE2-SD 4.37Å; Y442-M458 HydrophobicContact CG-SD 4.36Å
443L96.5Very high93.2Very high21 Ų2144 Ų4411%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-69.9122.9171-17166.6000109.6Y441 L455 W457 V500 I521 V523Y441-L443 PolarHBondContact O-N 3.43Å; L443-L455 HydrophobicContact CD1-CD1 3.64Å; L443-L455 HydrophobicContact CD1-CD2 4.48Å; L443-L455 HydrophobicContact CD1-CG 4.07Å; L443-L455 HydrophobicContact CG-CD1 4.1Å; L443-W457 HydrophobicContact CD1-CB 3.8Å; L443-W457 HydrophobicContact CD1-CE3 4.42Å; L443-V500 HydrophobicContact CD1-CB 4.3Å; L443-V500 HydrophobicContact CD1-CG2 3.56Å; L443-V500 HydrophobicContact CD2-CG2 4.21Å; L443-I521 HydrophobicContact CB-CD1 3.81Å; L443-I521 HydrophobicContact CB-CG1 3.95Å; L443-I521 HydrophobicContact CB-CG2 3.97Å; L443-I521 HydrophobicContact CD2-CG1 4.5Å; L443-I521 HydrophobicContact CD2-CG2 4.09Å; L443-I521 HydrophobicContact CG-CG2 4.43Å; L443-V523 HydrophobicContact CD2-CB 3.97Å; L443-V523 HydrophobicContact CD2-CG1 3.5Å; L443-V523 VanDerWaalsContact CD2-CG1 3.5Å; L443-V523 HydrophobicContact CG-CB 4.39Å; L443-V523 HydrophobicContact CG-CG1 3.82Å
444R96.3Very high93.4Very high153 Ų15347.2 Ų47.258%0.57724%0.24SC*.EExtended strand (participates in β ladder)trans-130.3140.4-177.5-171.1-177.8178-122.7-1.5110.4Y442 D446 L455 S456Y442-R444 PolarHBondContact O-N 2.78Å; R444-D446 WeakPolarHBondContact CD-OD2 3.15Å; R444-D446 VanDerWaalsContact CG-OD2 3.23Å; R444-D446 WeakPolarHBondContact CG-OD2 3.1Å; R444-D446 IonicContact CZ-OD1 3.86Å; R444-D446 IonicContact CZ-OD2 2.67Å; R444-D446 IonicContact NE-OD1 3.47Å; R444-D446 PolarHBondContact NE-OD1 2.8Å; R444-D446 IonicContact NE-OD2 2.76Å; R444-D446 PolarHBondContact NE-OD2 2.85Å; R444-D446 VanDerWaalsContact NE-OD2 3.14Å; R444-D446 IonicContact NH1-OD1 3.25Å; R444-D446 PolarHBondContact NH1-OD1 3.48Å; R444-D446 VanDerWaalsContact NH1-OD1 3.13Å; R444-D446 IonicContact NH1-OD2 3.51Å; R444-D446 PolarHBondContact NH1-OD2 2.9Å; R444-D446 IonicContact NH2-OD1 3.96Å; R444-D446 PolarHBondContact NH2-OD1 3.37Å; R444-D446 IonicContact NH2-OD2 3.46Å; R444-L455 WeakPolarHBondContact O-CA 3.46Å; R444-S456 PolarHBondContact N-O 3.3Å; R444-S456 PolarHBondContact O-N 2.73Å
445V97.3Very high93.7Very high20 Ų2042.7 Ų42.712%0.12122%0.22CC..EExtended strand (participates in β ladder)trans-116.7126.4171.7-167.80000108.9I448 A453 E454 L455 V523 F525V445-I448 HydrophobicContact CB-CD1 4.41Å; V445-I448 HydrophobicContact CG1-CD1 4.04Å; V445-I448 HydrophobicContact CG1-CG1 3.82Å; V445-A453 HydrophobicContact CG1-CB 3.77Å; V445-E454 CarbonylContact C-O 3.38Å; V445-E454 VanDerWaalsContact CA-O 3.31Å; V445-E454 WeakPolarHBondContact CA-O 3.31Å; V445-L455 HydrophobicContact CG2-CD1 3.77Å; V445-V523 HydrophobicContact CG2-CG1 3.52Å; V445-F525 HydrophobicContact CB-CB 4.24Å; V445-F525 HydrophobicContact CB-CD1 4.47Å; V445-F525 HydrophobicContact CB-CG 4.34Å; V445-F525 HydrophobicContact CG1-CB 4.2Å; V445-F525 HydrophobicContact CG1-CD1 3.99Å; V445-F525 HydrophobicContact CG1-CD2 4.07Å; V445-F525 HydrophobicContact CG1-CE1 4.37Å; V445-F525 HydrophobicContact CG1-CE2 4.45Å; V445-F525 HydrophobicContact CG1-CG 3.82Å; V445-F525 HydrophobicContact CG2-CB 4.35Å; V445-F525 HydrophobicContact CG2-CD1 4.05Å; V445-F525 HydrophobicContact CG2-CG 4.36Å
446D94.5Very high94.2Very high32 Ų3239.1 Ų39.117%0.17120%0.204CC..EExtended strand (participates in β ladder)trans-132172.8-174.2-66.2-60.3000111.9R444 I448 E454R444-D446 WeakPolarHBondContact CD-OD2 3.15Å; R444-D446 VanDerWaalsContact CG-OD2 3.23Å; R444-D446 WeakPolarHBondContact CG-OD2 3.1Å; R444-D446 IonicContact CZ-OD1 3.86Å; R444-D446 IonicContact CZ-OD2 2.67Å; R444-D446 IonicContact NE-OD1 3.47Å; R444-D446 PolarHBondContact NE-OD1 2.8Å; R444-D446 IonicContact NE-OD2 2.76Å; R444-D446 PolarHBondContact NE-OD2 2.85Å; R444-D446 VanDerWaalsContact NE-OD2 3.14Å; R444-D446 IonicContact NH1-OD1 3.25Å; R444-D446 PolarHBondContact NH1-OD1 3.48Å; R444-D446 VanDerWaalsContact NH1-OD1 3.13Å; R444-D446 IonicContact NH1-OD2 3.51Å; R444-D446 PolarHBondContact NH1-OD2 2.9Å; R444-D446 IonicContact NH2-OD1 3.96Å; R444-D446 PolarHBondContact NH2-OD1 3.37Å; R444-D446 IonicContact NH2-OD2 3.46Å; D446-I448 PolarHBondContact O-N 3.25Å; D446-E454 PolarHBondContact N-O 3.4Å; D446-E454 PolarHBondContact O-N 2.81Å
447G91.5Very high94.3Very high55 Ų5538.8 Ų38.857%0.56720%0.201SC*.SBendtrans53.632.9174.700000112.5T449G447-T449 PolarHBondContact O-N 3.31Å; G447-T449 VanDerWaalsContact O-N 3.14Å
448I93.6Very high94.4Very high43 Ų4338.7 Ų38.722%0.22120%0.199CC..  trans-70.3111.7-175.5-57.9166.8000107.6V445 D446 A453 F525 C526 Q528V445-I448 HydrophobicContact CB-CD1 4.41Å; V445-I448 HydrophobicContact CG1-CD1 4.04Å; V445-I448 HydrophobicContact CG1-CG1 3.82Å; D446-I448 PolarHBondContact O-N 3.25Å; I448-A453 HydrophobicContact CG1-CB 4.2Å; I448-F525 HydrophobicContact CD1-CB 3.98Å; I448-F525 HydrophobicContact CD1-CD2 4.02Å; I448-F525 HydrophobicContact CD1-CG 4.37Å; I448-F525 HydrophobicContact CG1-CD2 4.1Å; I448-F525 HydrophobicContact CG2-CD2 3.99Å; I448-F525 HydrophobicContact CG2-CE2 4.32Å; I448-C526 WeakPolarHBondContact CG2-O 3.5Å; I448-Q528 VanDerWaalsContact O-CD 3.27Å; I448-Q528 WeakPolarHBondContact O-CG 3.36Å; I448-Q528 PolarHBondContact O-NE2 3.06Å
449T89.5Confident94.5Very high42 Ų4238.8 Ų38.826%0.25820%0.2SC..  trans-103-172.9171.276.20000109.1G447 S451 S452 Q528G447-T449 PolarHBondContact O-N 3.31Å; G447-T449 VanDerWaalsContact O-N 3.14Å; T449-S451 PolarHBondContact O-N 3.14Å; T449-S451 PolarHBondContact OG1-N 2.92Å; T449-S451 VanDerWaalsContact OG1-N 3.1Å; T449-S452 WeakPolarHBondContact CG2-OG 3.36Å; T449-S452 PolarHBondContact N-O 2.79Å; T449-S452 PolarHBondContact OG1-N 3.5Å; T449-S452 PolarHBondContact OG1-O 2.96Å; T449-S452 PolarHBondContact OG1-OG 3.31Å; T449-Q528 PolarHBondContact O-N 3.23Å; T449-Q528 VanDerWaalsContact O-N 3.14Å
450Q87.5Confident94.4Very high20 Ų2038.6 Ų38.69%0.09320%0.197CC..SBendtrans-69.9-13.8171.470.6-77.9-11.400114.3S492 Q528 P529 N566Q450-S492 VanDerWaalsContact O-CA 3.23Å; Q450-S492 WeakPolarHBondContact O-CA 3.44Å; Q450-S492 PolarHBondContact O-N 2.95Å; Q450-Q528 WeakPolarHBondContact CA-O 3.39Å; Q450-Q528 HydrophobicContact CB-CB 4.38Å; Q450-Q528 WeakPolarHBondContact CB-O 3.49Å; Q450-P529 WeakPolarHBondContact CB-O 3.41Å; Q450-N566 VanDerWaalsContact CD-OD1 3.25Å; Q450-N566 VanDerWaalsContact CG-C 3.49Å; Q450-N566 WeakPolarHBondContact CG-O 3.24Å; Q450-N566 VanDerWaalsContact NE2-CA 3.33Å; Q450-N566 PolarHBondContact NE2-OD1 3.32Å; Q450-N566 PolarHBondContact OE1-OD1 2.9Å
451S86.8Confident94.4Very high33 Ų3339.5 Ų39.523%0.23120%0.202CC..SBendtrans-142.21.3-173.962.30000115T449 F488 N489 L490T449-S451 PolarHBondContact O-N 3.14Å; T449-S451 PolarHBondContact OG1-N 2.92Å; T449-S451 VanDerWaalsContact OG1-N 3.1Å; S451-F488 CarbonylContact O-C 3.56Å; S451-N489 PolarHBondContact O-N 2.87Å; S451-L490 WeakPolarHBondContact CA-O 3.49Å; S451-L490 PolarHBondContact O-N 3.21Å
452S91.6Very high94.5Very high17 Ų1737.7 Ų37.712%0.11920%0.196CC..  trans-146.3158.4179.769.60000110.8T449 F487T449-S452 WeakPolarHBondContact CG2-OG 3.36Å; T449-S452 PolarHBondContact N-O 2.79Å; T449-S452 PolarHBondContact OG1-N 3.5Å; T449-S452 PolarHBondContact OG1-O 2.96Å; T449-S452 PolarHBondContact OG1-OG 3.31Å; S452-F487 WeakPolarHBondContact CA-O 3.47Å; S452-F487 WeakPolarHBondContact CB-O 3.48Å
453A95.4Very high94.5Very high1 Ų131.3 Ų31.31%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-152.6149.9169.500000109V445 I448 F487 L490 F525V445-A453 HydrophobicContact CG1-CB 3.77Å; I448-A453 HydrophobicContact CG1-CB 4.2Å; A453-F487 HydrophobicContact CB-CD2 4.16Å; A453-F487 PolarHBondContact N-O 2.98Å; A453-F487 PolarHBondContact O-N 3.13Å; A453-L490 HydrophobicContact CB-CD1 4.08Å; A453-F525 HydrophobicContact CB-CD2 4.24Å; A453-F525 HydrophobicContact CB-CE2 3.52Å; A453-F525 HydrophobicContact CB-CZ 3.76Å
454E96.8Very high94.5Very high80 Ų8031.3 Ų31.337%0.37417%0.172SC..EExtended strand (participates in β ladder)trans-104.9122.7175.8-173173.8-178.300109.3V445 D446 Y485V445-E454 CarbonylContact C-O 3.38Å; V445-E454 VanDerWaalsContact CA-O 3.31Å; V445-E454 WeakPolarHBondContact CA-O 3.31Å; D446-E454 PolarHBondContact N-O 3.4Å; D446-E454 PolarHBondContact O-N 2.81Å; E454-Y485 CarbonylContact C-O 3.54Å
455L97.6Very high94.4Very high0 Ų024.6 Ų24.60%015%0.149CC..EExtended strand (participates in β ladder)trans-100.4136.2177.7-172.468.7000109.1L443 R444 V445 W457 I468 R484 Y485 F487 V498 V500L443-L455 HydrophobicContact CD1-CD1 3.64Å; L443-L455 HydrophobicContact CD1-CD2 4.48Å; L443-L455 HydrophobicContact CD1-CG 4.07Å; L443-L455 HydrophobicContact CG-CD1 4.1Å; R444-L455 WeakPolarHBondContact O-CA 3.46Å; V445-L455 HydrophobicContact CG2-CD1 3.77Å; L455-W457 HydrophobicContact CD2-CE3 4.13Å; L455-W457 HydrophobicContact CD2-CZ3 3.86Å; L455-W457 HydrophobicContact CG-CE3 4.02Å; L455-W457 HydrophobicContact CG-CZ3 4.04Å; L455-I468 HydrophobicContact CD2-CD1 4.05Å; L455-I468 HydrophobicContact CD2-CG1 4.35Å; L455-I468 HydrophobicContact CD2-CG2 4.17Å; L455-R484 CarbonylContact O-C 3.55Å; L455-R484 VanDerWaalsContact O-CA 3.22Å; L455-R484 WeakPolarHBondContact O-CA 3.35Å; L455-Y485 PolarHBondContact N-O 2.99Å; L455-Y485 PolarHBondContact O-N 3.42Å; L455-F487 HydrophobicContact CB-CE2 3.86Å; L455-F487 HydrophobicContact CD2-CE2 4.1Å; L455-F487 HydrophobicContact CD2-CZ 4.06Å; L455-F487 HydrophobicContact CG-CE2 4.4Å; L455-V498 HydrophobicContact CD1-CB 4.5Å; L455-V498 HydrophobicContact CD1-CG1 3.83Å; L455-V498 HydrophobicContact CD2-CG1 3.69Å; L455-V498 HydrophobicContact CG-CG1 4.42Å; L455-V500 HydrophobicContact CD2-CG2 3.78Å
456S97.5Very high94.4Very high27 Ų2723.7 Ų23.719%0.18914%0.143CC..EExtended strand (participates in β ladder)trans-139.9148.1171.658.90000111.3R444 Y483R444-S456 PolarHBondContact N-O 3.3Å; R444-S456 PolarHBondContact O-N 2.73Å; S456-Y483 WeakPolarHBondContact CA-O 3.44Å
457W97.5Very high94.6Very high3 Ų322.2 Ų22.21%0.01114%0.135CC..EExtended strand (participates in β ladder)trans-145.7157.7178.461.794.1000113.5P440 L443 L455 P459 H466 I468 V478 Y483 V500P440-W457 HydrophobicContact CB-CB 4.37Å; P440-W457 HydrophobicContact CB-CG 4.27Å; L443-W457 HydrophobicContact CD1-CB 3.8Å; L443-W457 HydrophobicContact CD1-CE3 4.42Å; L455-W457 HydrophobicContact CD2-CE3 4.13Å; L455-W457 HydrophobicContact CD2-CZ3 3.86Å; L455-W457 HydrophobicContact CG-CE3 4.02Å; L455-W457 HydrophobicContact CG-CZ3 4.04Å; W457-P459 WeakPolarHBondContact O-CD 3.26Å; W457-H466 AromaticContact CE2-CG 3.88Å; W457-H466 HydrophobicContact CZ2-CB 3.7Å; W457-H466 AromaticContact CZ2-CG 3.95Å; W457-H466 AromaticContact NE1-CD2 3.37Å; W457-H466 PolarHBondContact NE1-CD2 2.82Å; W457-H466 AromaticContact NE1-CE1 3.67Å; W457-H466 AromaticContact NE1-CG 3.39Å; W457-H466 AromaticContact NE1-ND1 3.56Å; W457-H466 AromaticContact NE1-NE2 3.53Å; W457-I468 HydrophobicContact CH2-CD1 4.17Å; W457-I468 HydrophobicContact CZ3-CD1 4.35Å; W457-V478 HydrophobicContact CH2-CB 4.13Å; W457-V478 HydrophobicContact CH2-CG1 4.25Å; W457-V478 HydrophobicContact CH2-CG2 3.9Å; W457-V478 HydrophobicContact CZ2-CB 4.17Å; W457-V478 HydrophobicContact CZ2-CG1 4.16Å; W457-V478 HydrophobicContact CZ2-CG2 4.44Å; W457-Y483 VanDerWaalsContact CE2-CA 3.49Å; W457-Y483 VanDerWaalsContact CE3-O 3.31Å; W457-Y483 PolarHBondContact N-O 2.96Å; W457-V500 HydrophobicContact CD2-CG1 4.23Å; W457-V500 HydrophobicContact CE3-CG2 4.41Å
458M96.3Very high94.9Very high35 Ų3519.6 Ų19.617%0.17211%0.108CC..EExtended strand (participates in β ladder)trans-76.198.8166.153.4105.362.700113.7L426 P440 Y441 Y442L426-M458 HydrophobicContact CD1-CB 4.28Å; L426-M458 HydrophobicContact CD1-CG 4.5Å; L426-M458 HydrophobicContact CD2-CB 4.25Å; L426-M458 HydrophobicContact CD2-CE 4Å; P440-M458 CarbonylContact C-O 3.48Å; P440-M458 WeakPolarHBondContact CA-O 3.17Å; P440-M458 WeakPolarHBondContact CB-O 3.37Å; Y441-M458 VanDerWaalsContact CD1-O 3.25Å; Y441-M458 WeakPolarHBondContact CD1-O 3.26Å; Y441-M458 HydrophobicContact CD2-SD 4.18Å; Y441-M458 HydrophobicContact CE1-CB 4.49Å; Y441-M458 WeakPolarHBondContact CE1-O 3.13Å; Y441-M458 HydrophobicContact CE2-CB 4.24Å; Y441-M458 HydrophobicContact CE2-CE 4.02Å; Y441-M458 HydrophobicContact CE2-CG 4.25Å; Y441-M458 HydrophobicContact CE2-SD 3.33Å; Y441-M458 WeakPolarHBondContact CE2-SD 3.36Å; Y441-M458 PolarHBondContact N-O 3.43Å; Y441-M458 WeakPolarHBondContact O-CA 3.36Å; Y441-M458 PolarHBondContact O-N 2.77Å; Y441-M458 WeakPolarHBondContact OH-CE 3.45Å; Y442-M458 HydrophobicContact CD2-SD 3.56Å; Y442-M458 VanDerWaalsContact CD2-SD 3.56Å; Y442-M458 HydrophobicContact CE2-SD 4.37Å; Y442-M458 HydrophobicContact CG-SD 4.36Å
459P96.4Very high95.1Very high3 Ų319.5 Ų19.52%0.01911%0.106CC..  trans-68.2139.9175.128.6-33000110.4Y441 W457 N461Y441-P459 WeakPolarHBondContact CE1-O 3.03Å; Y441-P459 PolarHBondContact OH-O 3.28Å; W457-P459 WeakPolarHBondContact O-CD 3.26Å; P459-N461 VanDerWaalsContact C-N 3.34Å
460S95.6Very high95.4Very high4 Ų418.4 Ų18.43%0.02810%0.099CC..SBendtrans-72.1-34.1170.4600000111.2L430 L431 V437 V438 A439L430-S460 CarbonylContact C-O 3.54Å; L430-S460 WeakPolarHBondContact CA-O 3.34Å; L431-S460 PolarHBondContact N-O 3.34Å; V437-S460 VanDerWaalsContact O-CB 3.24Å; V437-S460 WeakPolarHBondContact O-CB 3.41Å; V438-S460 PolarHBondContact O-OG 3.08Å; A439-S460 WeakPolarHBondContact O-CB 3.49Å
461N95.8Very high95.8Very high22 Ų2222 Ų2212%0.11812%0.118CC..BIsolated β-bridgetrans-147.4125.7172.7-170.7-36.9000108.3S429 L430 P459 N463 Y464S429-N461 WeakPolarHBondContact O-CA 3.27Å; L430-N461 HydrophobicContact CB-CB 4.43Å; P459-N461 VanDerWaalsContact C-N 3.34Å; N461-N463 PolarHBondContact O-N 3.47Å; N461-N463 VanDerWaalsContact OD1-CB 3.27Å; N461-N463 WeakPolarHBondContact OD1-CB 3.36Å; N461-N463 VanDerWaalsContact OD1-CG 3.31Å; N461-N463 PolarHBondContact OD1-N 3.3Å; N461-N463 PolarHBondContact OD1-ND2 2.77Å; N461-Y464 HydrophobicContact CB-CD1 4.19Å; N461-Y464 HydrophobicContact CB-CD2 3.8Å; N461-Y464 HydrophobicContact CB-CE1 3.92Å; N461-Y464 HydrophobicContact CB-CE2 3.5Å; N461-Y464 HydrophobicContact CB-CG 4.14Å; N461-Y464 PolarHBondContact O-N 3.39Å
462S95.8Very high96Very high4 Ų423.5 Ų23.53%0.02814%0.139CC..THydrogen-bonded Turntrans-67.9-12.6-178.663.90000113.4L426 R427 C428 S429 Y464 A480 G481L426-S462 WeakPolarHBondContact O-CB 3.46Å; R427-S462 WeakPolarHBondContact O-CB 3.21Å; R427-S462 PolarHBondContact O-OG 3.17Å; C428-S462 WeakPolarHBondContact CA-OG 3.02Å; S429-S462 PolarHBondContact N-OG 3.25Å; S429-S462 PolarHBondContact O-N 3.41Å; S429-S462 PolarHBondContact O-OG 3.16Å; S462-Y464 VanDerWaalsContact C-N 3.26Å; S462-Y464 PolarHBondContact O-N 2.53Å; S462-A480 CarbonylContact O-C 3.57Å; S462-G481 PolarHBondContact O-N 2.87Å
463N94.9Very high96.2Very high42 Ų4225.6 Ų25.623%0.22516%0.158CC..THydrogen-bonded Turntrans-78.3-8.3175.8-59.3-24.7000113.5R348 I349 N461 H505R348-N463 VanDerWaalsContact CA-OD1 3.27Å; R348-N463 WeakPolarHBondContact CA-OD1 3.18Å; I349-N463 PolarHBondContact N-OD1 2.81Å; I349-N463 PolarHBondContact O-ND2 2.93Å; N461-N463 PolarHBondContact O-N 3.47Å; N461-N463 VanDerWaalsContact OD1-CB 3.27Å; N461-N463 WeakPolarHBondContact OD1-CB 3.36Å; N461-N463 VanDerWaalsContact OD1-CG 3.31Å; N461-N463 PolarHBondContact OD1-N 3.3Å; N461-N463 PolarHBondContact OD1-ND2 2.77Å; N463-H505 PolarHBondContact O-CE1 2.85Å; N463-H505 VanDerWaalsContact O-CE1 3.25Å; N463-H505 PolarHBondContact O-ND1 2.88Å
464Y95.4Very high96.2Very high22 Ų2231.8 Ų31.89%0.08619%0.187CC..SBendtrans-84.7136.1177.9-56.8-17.8000109.5V438 N461 S462 H466 A502 P504 P508V438-Y464 HydrophobicContact CB-CE2 4.48Å; V438-Y464 HydrophobicContact CG1-CD2 4.17Å; V438-Y464 HydrophobicContact CG1-CE2 3.89Å; N461-Y464 HydrophobicContact CB-CD1 4.19Å; N461-Y464 HydrophobicContact CB-CD2 3.8Å; N461-Y464 HydrophobicContact CB-CE1 3.92Å; N461-Y464 HydrophobicContact CB-CE2 3.5Å; N461-Y464 HydrophobicContact CB-CG 4.14Å; N461-Y464 PolarHBondContact O-N 3.39Å; S462-Y464 VanDerWaalsContact C-N 3.26Å; S462-Y464 PolarHBondContact O-N 2.53Å; Y464-H466 PolarHBondContact O-CE1 3.28Å; Y464-H466 VanDerWaalsContact O-CE1 3.27Å; Y464-H466 PolarHBondContact O-ND1 3.04Å; Y464-A502 HydrophobicContact CD2-CB 4.11Å; Y464-P504 VanDerWaalsContact CD1-CA 3.5Å; Y464-P504 HydrophobicContact CD1-CB 3.71Å; Y464-P504 HydrophobicContact CD1-CG 3.94Å; Y464-P504 HydrophobicContact CD2-CG 4.19Å; Y464-P504 HydrophobicContact CE1-CB 3.56Å; Y464-P504 HydrophobicContact CE1-CG 3.81Å; Y464-P504 HydrophobicContact CE2-CG 4.06Å; Y464-P504 HydrophobicContact CG-CB 4.37Å; Y464-P504 HydrophobicContact CG-CG 4.13Å; Y464-P508 HydrophobicContact CE1-CG 4.44Å; Y464-P508 VanDerWaalsContact OH-CG 3.26Å; Y464-P508 WeakPolarHBondContact OH-CG 3.26Å
465S96Very high96.1Very high12 Ų1232.5 Ų32.58%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-73.7159.7160.350.70000109V478 Q503S465-V478 CarbonylContact C-O 3.49Å; S465-V478 WeakPolarHBondContact CA-O 3.47Å; S465-V478 WeakPolarHBondContact CB-O 3.35Å; S465-Q503 PolarHBondContact N-O 3.49Å; S465-Q503 PolarHBondContact O-N 3.47Å; S465-Q503 WeakPolarHBondContact OG-CB 3.42Å; S465-Q503 PolarHBondContact OG-O 3.43Å
466H97.4Very high96.1Very high1 Ų135.8 Ų35.81%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-130.4116.3-177.3-64.687000109.7W457 Y464 V478 V500 V501W457-H466 AromaticContact CE2-CG 3.88Å; W457-H466 HydrophobicContact CZ2-CB 3.7Å; W457-H466 AromaticContact CZ2-CG 3.95Å; W457-H466 AromaticContact NE1-CD2 3.37Å; W457-H466 PolarHBondContact NE1-CD2 2.82Å; W457-H466 AromaticContact NE1-CE1 3.67Å; W457-H466 AromaticContact NE1-CG 3.39Å; W457-H466 AromaticContact NE1-ND1 3.56Å; W457-H466 AromaticContact NE1-NE2 3.53Å; Y464-H466 PolarHBondContact O-CE1 3.28Å; Y464-H466 VanDerWaalsContact O-CE1 3.27Å; Y464-H466 PolarHBondContact O-ND1 3.04Å; H466-V478 PolarHBondContact N-O 3.49Å; H466-V478 PolarHBondContact O-N 2.9Å; H466-V500 HydrophobicContact CB-CG1 3.88Å; H466-V501 WeakPolarHBondContact CA-O 3.44Å
467T97.6Very high96Very high1 Ų139.2 Ų39.21%0.00622%0.218CC..EExtended strand (participates in β ladder)trans-89129.5175.2-53.10000109.6F469 E474 V500 V501 Q503T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE2 3.5Å; T467-F469 VanDerWaalsContact CG2-CE2 3.5Å; T467-F469 HydrophobicContact CG2-CZ 3.93Å; T467-E474 HydrophobicContact CG2-CG 3.67Å; T467-V500 WeakPolarHBondContact O-CA 3.48Å; T467-V501 PolarHBondContact N-O 2.91Å; T467-V501 PolarHBondContact O-N 3.02Å; T467-Q503 PolarHBondContact OG1-NE2 2.94Å; T467-Q503 PolarHBondContact OG1-OE1 2.83Å
468I98.1Very high95.9Very high0 Ų039.6 Ų39.60%022%0.221CC..EExtended strand (participates in β ladder)trans-100.8124.6-179.2-58174.7000108L455 W457 Y475 D476 V478 Y485 F487 V498 V500L455-I468 HydrophobicContact CD2-CD1 4.05Å; L455-I468 HydrophobicContact CD2-CG1 4.35Å; L455-I468 HydrophobicContact CD2-CG2 4.17Å; W457-I468 HydrophobicContact CH2-CD1 4.17Å; W457-I468 HydrophobicContact CZ3-CD1 4.35Å; I468-Y475 WeakPolarHBondContact O-CA 3.18Å; I468-Y475 WeakPolarHBondContact O-CB 3.22Å; I468-Y475 PolarHBondContact O-N 3.33Å; I468-D476 PolarHBondContact N-O 3.47Å; I468-D476 PolarHBondContact O-N 3.3Å; I468-V478 HydrophobicContact CD1-CG2 3.81Å; I468-Y485 VanDerWaalsContact CD1-CB 3.48Å; I468-Y485 HydrophobicContact CD1-CD1 3.57Å; I468-Y485 HydrophobicContact CD1-CD2 3.7Å; I468-Y485 HydrophobicContact CD1-CE1 4.21Å; I468-Y485 HydrophobicContact CD1-CE2 4.34Å; I468-Y485 HydrophobicContact CD1-CG 3.27Å; I468-F487 HydrophobicContact CG2-CE1 3.97Å; I468-F487 HydrophobicContact CG2-CZ 3.76Å; I468-V498 HydrophobicContact CG2-CG1 4.18Å; I468-V500 HydrophobicContact CG1-CG2 4.49Å
469F97.7Very high95.7Very high41 Ų4142.4 Ų42.418%0.1823%0.232CC..EExtended strand (participates in β ladder)trans-109.2136.6173.1-67.4-101.7000109.5T467 A473 E474 V498 K499 V501T467-F469 HydrophobicContact CG2-CD2 4.13Å; T467-F469 HydrophobicContact CG2-CE2 3.5Å; T467-F469 VanDerWaalsContact CG2-CE2 3.5Å; T467-F469 HydrophobicContact CG2-CZ 3.93Å; F469-A473 CarbonylContact C-O 3.59Å; F469-A473 WeakPolarHBondContact CA-O 3.32Å; F469-E474 HydrophobicContact CD1-CB 4.12Å; F469-E474 HydrophobicContact CE1-CB 3.79Å; F469-E474 HydrophobicContact CE1-CG 4.44Å; F469-E474 HydrophobicContact CZ-CB 4.32Å; F469-V498 CarbonylContact O-C 3.6Å; F469-V498 WeakPolarHBondContact O-CA 3.38Å; F469-K499 HydrophobicContact CB-CB 4.14Å; F469-K499 PolarHBondContact N-O 2.8Å; F469-K499 PolarHBondContact O-N 2.96Å; F469-V501 HydrophobicContact CD2-CG2 3.76Å; F469-V501 HydrophobicContact CE2-CB 4.21Å; F469-V501 HydrophobicContact CE2-CG2 3.6Å
470L96.3Very high95.5Very high19 Ų1944.3 Ų44.310%0.09925%0.249CC..EExtended strand (participates in β ladder)trans-121.2118176.1-166.570.1000108.6G472 A473 Y475 F487 L490 Y496 V498L470-G472 PolarHBondContact O-N 2.87Å; L470-A473 PolarHBondContact N-O 3.38Å; L470-A473 PolarHBondContact O-N 3.09Å; L470-Y475 HydrophobicContact CB-CD2 3.96Å; L470-Y475 HydrophobicContact CB-CG 4.13Å; L470-Y475 HydrophobicContact CD2-CD2 3.8Å; L470-Y475 HydrophobicContact CD2-CE2 3.86Å; L470-Y475 HydrophobicContact CD2-CG 4.5Å; L470-F487 HydrophobicContact CD1-CE1 4.23Å; L470-F487 HydrophobicContact CD1-CZ 4.35Å; L470-L490 HydrophobicContact CD2-CD2 4.05Å; L470-Y496 HydrophobicContact CD1-CD1 3.77Å; L470-Y496 HydrophobicContact CD1-CG 4.13Å; L470-Y496 HydrophobicContact CD2-CD1 3.81Å; L470-Y496 HydrophobicContact CD2-CE1 3.93Å; L470-Y496 HydrophobicContact CG-CD1 3.74Å; L470-Y496 HydrophobicContact CG-CE1 4.32Å; L470-V498 HydrophobicContact CD1-CG2 3.71Å
471N94.6Very high95.2Very high94 Ų9444.4 Ų44.450%0.50325%0.25SS..THydrogen-bonded Turntrans54.532.1-175.2-62.8-16000114A473 Y496 K497N471-A473 VanDerWaalsContact C-N 3.33Å; N471-A473 PolarHBondContact O-N 3.03Å; N471-Y496 WeakPolarHBondContact OD1-CA 3.3Å; N471-K497 PolarHBondContact N-O 3.21Å; N471-K497 PolarHBondContact OD1-N 2.89Å
472G92.1Very high95Very high65 Ų6544 Ų4467%0.6725%0.251SS*.THydrogen-bonded Turntrans87.5-10.2178.700000115.2L470L470-G472 PolarHBondContact O-N 2.87Å
473A94.8Very high95Very high62 Ų6244.9 Ų44.951%0.51225%0.254SS..EExtended strand (participates in β ladder)trans-90.1141.2171.600000110.6F469 L470 N471 Y475F469-A473 CarbonylContact C-O 3.59Å; F469-A473 WeakPolarHBondContact CA-O 3.32Å; L470-A473 PolarHBondContact N-O 3.38Å; L470-A473 PolarHBondContact O-N 3.09Å; N471-A473 VanDerWaalsContact C-N 3.33Å; N471-A473 PolarHBondContact O-N 3.03Å; A473-Y475 PolarHBondContact O-N 2.97Å
474E96.1Very high95Very high131 Ų13149.4 Ų49.461%0.61227%0.268SS*.EExtended strand (participates in β ladder)trans-62125170.1-174.3170.8163.200109T467 F469T467-E474 HydrophobicContact CG2-CG 3.67Å; F469-E474 HydrophobicContact CD1-CB 4.12Å; F469-E474 HydrophobicContact CE1-CB 3.79Å; F469-E474 HydrophobicContact CE1-CG 4.44Å; F469-E474 HydrophobicContact CZ-CB 4.32Å
475Y95.2Very high95.1Very high95 Ų9550.6 Ų50.637%0.37327%0.273SS..EExtended strand (participates in β ladder)trans-105.8-51.6-174.9-172.1-94.1000111.4I468 L470 A473 Y485 F487I468-Y475 WeakPolarHBondContact O-CA 3.18Å; I468-Y475 WeakPolarHBondContact O-CB 3.22Å; I468-Y475 PolarHBondContact O-N 3.33Å; L470-Y475 HydrophobicContact CB-CD2 3.96Å; L470-Y475 HydrophobicContact CB-CG 4.13Å; L470-Y475 HydrophobicContact CD2-CD2 3.8Å; L470-Y475 HydrophobicContact CD2-CE2 3.86Å; L470-Y475 HydrophobicContact CD2-CG 4.5Å; A473-Y475 PolarHBondContact O-N 2.97Å; Y475-Y485 HydrophobicContact CD1-CE1 4.03Å; Y475-Y485 AromaticContact CE1-CE1 3.81Å; Y475-Y485 HydrophobicContact CE1-CE1 3.81Å; Y475-Y485 WeakPolarHBondContact CE1-OH 3.42Å; Y475-F487 HydrophobicContact CD1-CD1 4.06Å; Y475-F487 AromaticContact CD1-CE1 3.82Å; Y475-F487 HydrophobicContact CD1-CE1 3.82Å; Y475-F487 AromaticContact CE1-CD1 3.64Å; Y475-F487 HydrophobicContact CE1-CD1 3.64Å; Y475-F487 AromaticContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CG-CE1 4.39Å
476D96.4Very high95Very high69 Ų6955 Ų5537%0.36929%0.29SS..EExtended strand (participates in β ladder)trans-160.8170.8178.3-158.53.4000111.9I468 Y485I468-D476 PolarHBondContact N-O 3.47Å; I468-D476 PolarHBondContact O-N 3.3Å; D476-Y485 HydrophobicContact CB-CE2 4.07Å; D476-Y485 WeakPolarHBondContact CB-OH 3.46Å; D476-Y485 WeakPolarHBondContact OD2-CE2 3.35Å; D476-Y485 PolarHBondContact OD2-OH 3.35Å
477M95.3Very high94.9Very high98 Ų9855 Ų5548%0.48329%0.29SS..EExtended strand (participates in β ladder)trans-127.3124.1176.3-179.6174.357.800111.7
478V95.6Very high94.5Very high11 Ų1160.4 Ų60.47%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-94127.3174.5177.90000110W457 S465 H466 I468 Y485W457-V478 HydrophobicContact CH2-CB 4.13Å; W457-V478 HydrophobicContact CH2-CG1 4.25Å; W457-V478 HydrophobicContact CH2-CG2 3.9Å; W457-V478 HydrophobicContact CZ2-CB 4.17Å; W457-V478 HydrophobicContact CZ2-CG1 4.16Å; W457-V478 HydrophobicContact CZ2-CG2 4.44Å; S465-V478 CarbonylContact C-O 3.49Å; S465-V478 WeakPolarHBondContact CA-O 3.47Å; S465-V478 WeakPolarHBondContact CB-O 3.35Å; H466-V478 PolarHBondContact N-O 3.49Å; H466-V478 PolarHBondContact O-N 2.9Å; I468-V478 HydrophobicContact CD1-CG2 3.81Å; V478-Y485 HydrophobicContact CG2-CD2 3.75Å; V478-Y485 HydrophobicContact CG2-CG 4.42Å
479K93.6Very high94Very high94 Ų9466.2 Ų66.241%0.40935%0.345SS..PPolyproline II helixtrans-64.8162.8179.7-69-175.5177.7-179.40111.8D332 G481 G482D332-K479 PolarHBondContact O-NZ 2.66Å; K479-G481 PolarHBondContact O-N 3.48Å; K479-G482 PolarHBondContact O-N 3.19Å
480A92.3Very high93.6Very high44 Ų4464.9 Ų64.936%0.36434%0.34SS..THydrogen-bonded Turntrans-54.5137.6175.300000111.8S462 G482S462-A480 CarbonylContact O-C 3.57Å; A480-G482 VanDerWaalsContact C-N 3.3Å
481G88.7Confident93.2Very high6 Ų671.2 Ų71.26%0.06237%0.366CS..THydrogen-bonded Turntrans87.5-14.5-173.100000114.5S462 K479S462-G481 PolarHBondContact O-N 2.87Å; K479-G481 PolarHBondContact O-N 3.48Å
482G91.9Very high92.9Very high14 Ų1468.7 Ų68.714%0.14436%0.356CS..  trans-86.2138.4172.800000112.5K479 A480K479-G482 PolarHBondContact O-N 3.19Å; A480-G482 VanDerWaalsContact C-N 3.3Å
483Y95.3Very high92.7Very high22 Ų2271.8 Ų71.89%0.08636%0.355CS..  trans-144.49.1-178.167.6-89.5000114.2D424 L426 R427 S456 W457D424-Y483 VanDerWaalsContact CG-OH 3.31Å; D424-Y483 PolarHBondContact OD1-OH 2.69Å; D424-Y483 VanDerWaalsContact OD2-CE1 3.26Å; D424-Y483 WeakPolarHBondContact OD2-CE1 3.31Å; D424-Y483 VanDerWaalsContact OD2-CZ 3.3Å; D424-Y483 PolarHBondContact OD2-OH 3.37Å; L426-Y483 HydrophobicContact CB-CD1 3.86Å; L426-Y483 HydrophobicContact CB-CE1 3.66Å; L426-Y483 HydrophobicContact CB-CE2 4.4Å; L426-Y483 HydrophobicContact CB-CG 4.3Å; L426-Y483 HydrophobicContact CD1-CD2 3.79Å; L426-Y483 HydrophobicContact CD1-CE1 4.34Å; L426-Y483 HydrophobicContact CD1-CE2 3.54Å; L426-Y483 HydrophobicContact CD1-CG 4.29Å; R427-Y483 HydrophobicContact CG-CE1 4.31Å; S456-Y483 WeakPolarHBondContact CA-O 3.44Å; W457-Y483 VanDerWaalsContact CE2-CA 3.49Å; W457-Y483 VanDerWaalsContact CE3-O 3.31Å; W457-Y483 PolarHBondContact N-O 2.96Å
484R95.1Very high92.5Very high137 Ų13770.8 Ų70.852%0.51734%0.342SS..EExtended strand (participates in β ladder)trans-132.3149.9174.7-53.3-175.5-150.2174.84.5108.9L455L455-R484 CarbonylContact O-C 3.55Å; L455-R484 VanDerWaalsContact O-CA 3.22Å; L455-R484 WeakPolarHBondContact O-CA 3.35Å
485Y96.2Very high92.6Very high46 Ų4668.8 Ų68.818%0.1834%0.339CS..EExtended strand (participates in β ladder)trans-149146.2178.8-173.4-99.7000110.3E454 L455 I468 Y475 D476 V478 F487E454-Y485 CarbonylContact C-O 3.54Å; L455-Y485 PolarHBondContact N-O 2.99Å; L455-Y485 PolarHBondContact O-N 3.42Å; I468-Y485 VanDerWaalsContact CD1-CB 3.48Å; I468-Y485 HydrophobicContact CD1-CD1 3.57Å; I468-Y485 HydrophobicContact CD1-CD2 3.7Å; I468-Y485 HydrophobicContact CD1-CE1 4.21Å; I468-Y485 HydrophobicContact CD1-CE2 4.34Å; I468-Y485 HydrophobicContact CD1-CG 3.27Å; Y475-Y485 HydrophobicContact CD1-CE1 4.03Å; Y475-Y485 AromaticContact CE1-CE1 3.81Å; Y475-Y485 HydrophobicContact CE1-CE1 3.81Å; Y475-Y485 WeakPolarHBondContact CE1-OH 3.42Å; D476-Y485 HydrophobicContact CB-CE2 4.07Å; D476-Y485 WeakPolarHBondContact CB-OH 3.46Å; D476-Y485 WeakPolarHBondContact OD2-CE2 3.35Å; D476-Y485 PolarHBondContact OD2-OH 3.35Å; V478-Y485 HydrophobicContact CG2-CD2 3.75Å; V478-Y485 HydrophobicContact CG2-CG 4.42Å; Y485-F487 HydrophobicContact CD1-CD1 4.08Å; Y485-F487 AromaticContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE2 4.43Å; Y485-F487 HydrophobicContact CD1-CG 4.37Å; Y485-F487 HydrophobicContact CD1-CZ 4.13Å; Y485-F487 AromaticContact CE1-CD1 3.72Å; Y485-F487 HydrophobicContact CE1-CD1 3.72Å; Y485-F487 AromaticContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CG 4.3Å; Y485-F487 HydrophobicContact CE1-CZ 4.43Å
486K95.4Very high92.6Very high105 Ų10565.2 Ų65.246%0.45733%0.325SS..EExtended strand (participates in β ladder)trans-119.9118.7178.7-171.1167.3177177.40110.4F488K486-F488 HydrophobicContact CB-CE2 3.94Å; K486-F488 HydrophobicContact CB-CZ 4.05Å; K486-F488 HydrophobicContact CD-CE1 3.85Å; K486-F488 HydrophobicContact CD-CE2 4.26Å; K486-F488 HydrophobicContact CD-CZ 3.52Å; K486-F488 HydrophobicContact CG-CE1 4.03Å; K486-F488 HydrophobicContact CG-CE2 3.88Å; K486-F488 HydrophobicContact CG-CZ 3.62Å; K486-F488 VanDerWaalsContact O-CD2 3.29Å; K486-F488 WeakPolarHBondContact O-CD2 3.44Å; K486-F488 WeakPolarHBondContact O-CE2 3.23Å
487F95Very high92.7Very high0 Ų066.5 Ų66.50%033%0.327CS..EExtended strand (participates in β ladder)trans-77140.3171.7-61.9-74.2000110.4S452 A453 L455 I468 L470 Y475 Y485 L490 V498S452-F487 WeakPolarHBondContact CA-O 3.47Å; S452-F487 WeakPolarHBondContact CB-O 3.48Å; A453-F487 HydrophobicContact CB-CD2 4.16Å; A453-F487 PolarHBondContact N-O 2.98Å; A453-F487 PolarHBondContact O-N 3.13Å; L455-F487 HydrophobicContact CB-CE2 3.86Å; L455-F487 HydrophobicContact CD2-CE2 4.1Å; L455-F487 HydrophobicContact CD2-CZ 4.06Å; L455-F487 HydrophobicContact CG-CE2 4.4Å; I468-F487 HydrophobicContact CG2-CE1 3.97Å; I468-F487 HydrophobicContact CG2-CZ 3.76Å; L470-F487 HydrophobicContact CD1-CE1 4.23Å; L470-F487 HydrophobicContact CD1-CZ 4.35Å; Y475-F487 HydrophobicContact CD1-CD1 4.06Å; Y475-F487 AromaticContact CD1-CE1 3.82Å; Y475-F487 HydrophobicContact CD1-CE1 3.82Å; Y475-F487 AromaticContact CE1-CD1 3.64Å; Y475-F487 HydrophobicContact CE1-CD1 3.64Å; Y475-F487 AromaticContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CE1-CE1 3.91Å; Y475-F487 HydrophobicContact CG-CE1 4.39Å; Y485-F487 HydrophobicContact CD1-CD1 4.08Å; Y485-F487 AromaticContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE1 3.94Å; Y485-F487 HydrophobicContact CD1-CE2 4.43Å; Y485-F487 HydrophobicContact CD1-CG 4.37Å; Y485-F487 HydrophobicContact CD1-CZ 4.13Å; Y485-F487 AromaticContact CE1-CD1 3.72Å; Y485-F487 HydrophobicContact CE1-CD1 3.72Å; Y485-F487 AromaticContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CE1 3.78Å; Y485-F487 HydrophobicContact CE1-CG 4.3Å; Y485-F487 HydrophobicContact CE1-CZ 4.43Å; F487-L490 HydrophobicContact CB-CD1 3.79Å; F487-L490 HydrophobicContact CB-CD2 4.08Å; F487-L490 HydrophobicContact CB-CG 3.99Å; F487-L490 HydrophobicContact CG-CD1 4.48Å; F487-V498 HydrophobicContact CE2-CG1 4.45Å; F487-V498 HydrophobicContact CE2-CG2 3.99Å; F487-V498 HydrophobicContact CZ-CG1 4.03Å; F487-V498 HydrophobicContact CZ-CG2 3.93Å
488F89.4Confident92.8Very high115 Ų11561.8 Ų61.850%0.50430%0.304SS..  trans-128.8160.6173.1-59.6-84.6000109.8S451 K486 L490S451-F488 CarbonylContact O-C 3.56Å; K486-F488 HydrophobicContact CB-CE2 3.94Å; K486-F488 HydrophobicContact CB-CZ 4.05Å; K486-F488 HydrophobicContact CD-CE1 3.85Å; K486-F488 HydrophobicContact CD-CE2 4.26Å; K486-F488 HydrophobicContact CD-CZ 3.52Å; K486-F488 HydrophobicContact CG-CE1 4.03Å; K486-F488 HydrophobicContact CG-CE2 3.88Å; K486-F488 HydrophobicContact CG-CZ 3.62Å; K486-F488 VanDerWaalsContact O-CD2 3.29Å; K486-F488 WeakPolarHBondContact O-CD2 3.44Å; K486-F488 WeakPolarHBondContact O-CE2 3.23Å; F488-L490 PolarHBondContact O-N 3.36Å
489N86.6Confident92.9Very high122 Ų12264 Ų6465%0.65231%0.313SS*.SBendtrans56.433176.6-55.2-41.8000114.3S451S451-N489 PolarHBondContact O-N 2.87Å
490L89.9Confident93.1Very high14 Ų1459.6 Ų59.67%0.07329%0.294CS..PPolyproline II helixtrans-68.4153.6169.9-58.8178.4000110.4S451 A453 L470 F487 F488 Y496 F525 T527S451-L490 WeakPolarHBondContact CA-O 3.49Å; S451-L490 PolarHBondContact O-N 3.21Å; A453-L490 HydrophobicContact CB-CD1 4.08Å; L470-L490 HydrophobicContact CD2-CD2 4.05Å; F487-L490 HydrophobicContact CB-CD1 3.79Å; F487-L490 HydrophobicContact CB-CD2 4.08Å; F487-L490 HydrophobicContact CB-CG 3.99Å; F487-L490 HydrophobicContact CG-CD1 4.48Å; F488-L490 PolarHBondContact O-N 3.36Å; L490-Y496 HydrophobicContact CB-CE2 3.95Å; L490-Y496 HydrophobicContact CD1-CE2 4.46Å; L490-Y496 HydrophobicContact CD2-CE1 4.22Å; L490-Y496 HydrophobicContact CD2-CE2 4.16Å; L490-Y496 HydrophobicContact CG-CE2 4.43Å; L490-F525 HydrophobicContact CD1-CE2 3.87Å; L490-F525 HydrophobicContact CD1-CZ 3.68Å; L490-T527 HydrophobicContact CB-CG2 3.85Å; L490-T527 HydrophobicContact CD1-CG2 3.87Å
491K87.6Confident93.4Very high151 Ų15158.6 Ų58.666%0.65728%0.283SS*.PPolyproline II helixtrans-78.8137.1173-64.7-178.2179.6179.50109T494 Y496 T527K491-T494 WeakPolarHBondContact CB-OG1 3.23Å; K491-T494 WeakPolarHBondContact O-CB 3.16Å; K491-T494 PolarHBondContact O-OG1 3.27Å; K491-Y496 WeakPolarHBondContact CB-OH 3.42Å; K491-Y496 PolarHBondContact N-OH 3.35Å; K491-T527 PolarHBondContact O-OG1 2.92Å
492S87.8Confident93.8Very high41 Ų4158.3 Ų58.329%0.28728%0.28SS..THydrogen-bonded Turntrans-65.1154.3175.758.20000111.9Q450 T494Q450-S492 VanDerWaalsContact O-CA 3.23Å; Q450-S492 WeakPolarHBondContact O-CA 3.44Å; Q450-S492 PolarHBondContact O-N 2.95Å; S492-T494 PolarHBondContact O-N 3.43Å; S492-T494 PolarHBondContact O-OG1 3.18Å; S492-T494 VanDerWaalsContact O-OG1 3.05Å
493M88.4Confident93.9Very high131 Ų13161.4 Ų61.465%0.64529%0.291SS*.THydrogen-bonded Turntrans51.430.1177.3-157.768.2149.600113.9T527 Q528 P529M493-T527 PolarHBondContact N-OG1 3.04Å; M493-Q528 PolarHBondContact N-O 3.11Å; M493-P529 HydrophobicContact CE-CG 4.36Å; M493-P529 HydrophobicContact SD-CB 4.26Å; M493-P529 HydrophobicContact SD-CG 3.8Å
494T91.9Very high93.8Very high40 Ų4061.4 Ų61.425%0.24529%0.293CS..  trans-113.2134.9-177.9-58.50000110.1K491 S492 Y496 C526 T527K491-T494 WeakPolarHBondContact CB-OG1 3.23Å; K491-T494 WeakPolarHBondContact O-CB 3.16Å; K491-T494 PolarHBondContact O-OG1 3.27Å; S492-T494 PolarHBondContact O-N 3.43Å; S492-T494 PolarHBondContact O-OG1 3.18Å; S492-T494 VanDerWaalsContact O-OG1 3.05Å; T494-Y496 HydrophobicContact CG2-CD2 4.21Å; T494-Y496 HydrophobicContact CG2-CE1 4.26Å; T494-Y496 HydrophobicContact CG2-CE2 3.7Å; T494-Y496 WeakPolarHBondContact O-CD2 3.45Å; T494-C526 WeakPolarHBondContact O-CA 3.44Å; T494-T527 PolarHBondContact N-OG1 3.11Å; T494-T527 PolarHBondContact O-N 3.24Å; T494-T527 PolarHBondContact O-OG1 2.88Å
495V96.4Very high93.3Very high90 Ų9061.2 Ų61.255%0.54530%0.298SS..EExtended strand (participates in β ladder)trans-82.9129.2171.7-178.80000108.9F525 C526V495-F525 WeakPolarHBondContact CA-O 3.35Å; V495-C526 HydrophobicContact CG2-CB 4.16Å
496Y96.6Very high92.7Very high19 Ų1966.8 Ų66.88%0.07533%0.326CS..EExtended strand (participates in β ladder)trans-120132.2178.6-73.6-77.7000110.2L470 N471 L490 K491 T494 E524 F525 T527L470-Y496 HydrophobicContact CD1-CD1 3.77Å; L470-Y496 HydrophobicContact CD1-CG 4.13Å; L470-Y496 HydrophobicContact CD2-CD1 3.81Å; L470-Y496 HydrophobicContact CD2-CE1 3.93Å; L470-Y496 HydrophobicContact CG-CD1 3.74Å; L470-Y496 HydrophobicContact CG-CE1 4.32Å; N471-Y496 WeakPolarHBondContact OD1-CA 3.3Å; L490-Y496 HydrophobicContact CB-CE2 3.95Å; L490-Y496 HydrophobicContact CD1-CE2 4.46Å; L490-Y496 HydrophobicContact CD2-CE1 4.22Å; L490-Y496 HydrophobicContact CD2-CE2 4.16Å; L490-Y496 HydrophobicContact CG-CE2 4.43Å; K491-Y496 WeakPolarHBondContact CB-OH 3.42Å; K491-Y496 PolarHBondContact N-OH 3.35Å; T494-Y496 HydrophobicContact CG2-CD2 4.21Å; T494-Y496 HydrophobicContact CG2-CE1 4.26Å; T494-Y496 HydrophobicContact CG2-CE2 3.7Å; T494-Y496 WeakPolarHBondContact O-CD2 3.45Å; Y496-E524 CarbonylContact O-C 3.44Å; Y496-E524 WeakPolarHBondContact O-CA 3.41Å; Y496-F525 VanDerWaalsContact CB-CE1 3.47Å; Y496-F525 HydrophobicContact CD2-CE2 4.25Å; Y496-F525 HydrophobicContact CD2-CZ 4.06Å; Y496-F525 HydrophobicContact CG-CE1 4.33Å; Y496-F525 HydrophobicContact CG-CZ 4.13Å; Y496-F525 PolarHBondContact N-O 3.28Å; Y496-F525 PolarHBondContact O-N 3.45Å; Y496-T527 HydrophobicContact CD2-CG2 3.91Å; Y496-T527 HydrophobicContact CE2-CG2 3.73Å
497K97.3Very high92Very high96 Ų9665.1 Ų65.142%0.41732%0.324SS..EExtended strand (participates in β ladder)trans-98.6113.2169.5-175.5170.7-170.9153.80109.4N471 E524N471-K497 PolarHBondContact N-O 3.21Å; N471-K497 PolarHBondContact OD1-N 2.89Å; K497-E524 HydrophobicContact CB-CG 3.91Å; K497-E524 HydrophobicContact CD-CG 4.33Å; K497-E524 WeakPolarHBondContact CD-OE1 3.46Å; K497-E524 HydrophobicContact CG-CG 3.84Å; K497-E524 IonicContact NZ-OE1 3.32Å
498V97.8Very high91.5Very high0 Ų065.5 Ų65.50%033%0.327CS..EExtended strand (participates in β ladder)trans-98.9134.6176.2-176.90000109L455 I468 F469 L470 F487 V500 S522 V523 F525L455-V498 HydrophobicContact CD1-CB 4.5Å; L455-V498 HydrophobicContact CD1-CG1 3.83Å; L455-V498 HydrophobicContact CD2-CG1 3.69Å; L455-V498 HydrophobicContact CG-CG1 4.42Å; I468-V498 HydrophobicContact CG2-CG1 4.18Å; F469-V498 CarbonylContact O-C 3.6Å; F469-V498 WeakPolarHBondContact O-CA 3.38Å; L470-V498 HydrophobicContact CD1-CG2 3.71Å; F487-V498 HydrophobicContact CE2-CG1 4.45Å; F487-V498 HydrophobicContact CE2-CG2 3.99Å; F487-V498 HydrophobicContact CZ-CG1 4.03Å; F487-V498 HydrophobicContact CZ-CG2 3.93Å; V498-V500 HydrophobicContact CG1-CG2 4.4Å; V498-S522 CarbonylContact O-C 3.55Å; V498-S522 WeakPolarHBondContact O-CA 3.47Å; V498-S522 VanDerWaalsContact O-CB 3.26Å; V498-S522 WeakPolarHBondContact O-CB 3.44Å; V498-V523 HydrophobicContact CB-CG1 4.33Å; V498-V523 PolarHBondContact N-O 2.94Å; V498-V523 PolarHBondContact O-N 2.89Å; V498-F525 HydrophobicContact CG2-CD1 3.77Å; V498-F525 HydrophobicContact CG2-CE1 3.38Å
499K97.8Very high91Very high58 Ų5869.2 Ų69.225%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-131129.6173-179.7178.383.2152.90109.4F469 V501 E520 I521F469-K499 HydrophobicContact CB-CB 4.14Å; F469-K499 PolarHBondContact N-O 2.8Å; F469-K499 PolarHBondContact O-N 2.96Å; K499-V501 HydrophobicContact CD-CG2 4.49Å; K499-V501 HydrophobicContact CG-CG2 4.24Å; K499-E520 HydrophobicContact CD-CB 4.39Å; K499-E520 VanDerWaalsContact CD-OE2 3.31Å; K499-E520 WeakPolarHBondContact CD-OE2 3.42Å; K499-E520 WeakPolarHBondContact CE-OE2 3.44Å; K499-E520 HydrophobicContact CG-CB 4.25Å; K499-E520 IonicContact NZ-OE1 2.94Å; K499-E520 IonicContact NZ-OE2 3.36Å; K499-E520 PolarHBondContact NZ-OE2 3.08Å; K499-I521 CarbonylContact C-O 3.53Å; K499-I521 WeakPolarHBondContact CA-O 3.14Å
500V98.3Very high90.7Very high0 Ų069.8 Ų69.80%034%0.336CS..EExtended strand (participates in β ladder)trans-110.9124.4177.4-177.70000108.2P440 L443 L455 W457 H466 T467 I468 V498 E520 I521P440-V500 HydrophobicContact CG-CB 4.4Å; P440-V500 HydrophobicContact CG-CG1 3.99Å; L443-V500 HydrophobicContact CD1-CB 4.3Å; L443-V500 HydrophobicContact CD1-CG2 3.56Å; L443-V500 HydrophobicContact CD2-CG2 4.21Å; L455-V500 HydrophobicContact CD2-CG2 3.78Å; W457-V500 HydrophobicContact CD2-CG1 4.23Å; W457-V500 HydrophobicContact CE3-CG2 4.41Å; H466-V500 HydrophobicContact CB-CG1 3.88Å; T467-V500 WeakPolarHBondContact O-CA 3.48Å; I468-V500 HydrophobicContact CG1-CG2 4.49Å; V498-V500 HydrophobicContact CG1-CG2 4.4Å; V500-E520 VanDerWaalsContact O-CA 3.31Å; V500-E520 WeakPolarHBondContact O-CA 3.49Å; V500-I521 HydrophobicContact CB-CG2 4.32Å; V500-I521 PolarHBondContact N-O 2.77Å; V500-I521 PolarHBondContact O-N 2.82Å
501V97.8Very high90.4Very high23 Ų2370.4 Ų70.414%0.13934%0.34CS..EExtended strand (participates in β ladder)trans-115119.2-178.6-172.50000108.8H466 T467 F469 K499 R519 E520H466-V501 WeakPolarHBondContact CA-O 3.44Å; T467-V501 PolarHBondContact N-O 2.91Å; T467-V501 PolarHBondContact O-N 3.02Å; F469-V501 HydrophobicContact CD2-CG2 3.76Å; F469-V501 HydrophobicContact CE2-CB 4.21Å; F469-V501 HydrophobicContact CE2-CG2 3.6Å; K499-V501 HydrophobicContact CD-CG2 4.49Å; K499-V501 HydrophobicContact CG-CG2 4.24Å; V501-R519 WeakPolarHBondContact CA-O 3.36Å; V501-R519 HydrophobicContact CG1-CB 4.18Å; V501-E520 HydrophobicContact CB-CB 4.5Å; V501-E520 HydrophobicContact CG2-CB 3.91Å
502A97.3Very high90.3Very high1 Ų166.5 Ų66.51%0.00833%0.33CS..EExtended strand (participates in β ladder)trans-74.2132.1173.500000110.8V438 Y464 P504 R519V438-A502 HydrophobicContact CG1-CB 3.97Å; V438-A502 WeakPolarHBondContact O-CB 3.34Å; Y464-A502 HydrophobicContact CD2-CB 4.11Å; A502-P504 WeakPolarHBondContact O-CD 3.37Å; A502-R519 PolarHBondContact N-O 3.18Å
503Q95.1Very high90.1Very high79 Ų7966.4 Ų66.437%0.36934%0.335SS..EExtended strand (participates in β ladder)trans-117.396.6178.6-67.2-168.9-10.300110S465 T467S465-Q503 PolarHBondContact N-O 3.49Å; S465-Q503 PolarHBondContact O-N 3.47Å; S465-Q503 WeakPolarHBondContact OG-CB 3.42Å; S465-Q503 PolarHBondContact OG-O 3.43Å; T467-Q503 PolarHBondContact OG1-NE2 2.94Å; T467-Q503 PolarHBondContact OG1-OE1 2.83Å
504P92.4Very high90Very high21 Ų2166 Ų6614%0.13634%0.336CS..  trans-65.9130.2169.9-21.333.5000111.7V438 Y464 A502 Q506 P508V438-P504 HydrophobicContact CG1-CG 3.55Å; Y464-P504 VanDerWaalsContact CD1-CA 3.5Å; Y464-P504 HydrophobicContact CD1-CB 3.71Å; Y464-P504 HydrophobicContact CD1-CG 3.94Å; Y464-P504 HydrophobicContact CD2-CG 4.19Å; Y464-P504 HydrophobicContact CE1-CB 3.56Å; Y464-P504 HydrophobicContact CE1-CG 3.81Å; Y464-P504 HydrophobicContact CE2-CG 4.06Å; Y464-P504 HydrophobicContact CG-CB 4.37Å; Y464-P504 HydrophobicContact CG-CG 4.13Å; A502-P504 WeakPolarHBondContact O-CD 3.37Å; P504-Q506 WeakPolarHBondContact CB-O 3.36Å; P504-Q506 PolarHBondContact O-N 2.88Å; P504-P508 HydrophobicContact CB-CG 3.97Å; P504-P508 HydrophobicContact CG-CG 3.97Å
505H85Confident89.8Confident133 Ų13366 Ų6662%0.61633%0.333SS*.SBendtrans-63-28.2171-6387.5000112.7N463N463-H505 PolarHBondContact O-CE1 2.85Å; N463-H505 VanDerWaalsContact O-CE1 3.25Å; N463-H505 PolarHBondContact O-ND1 2.88Å
506Q83.3Confident89.5Confident163 Ų16363.8 Ų63.876%0.76232%0.315SS*.SBendtrans-131.2149.4176.3-67.5-176.9-6.800109.7P504 P508P504-Q506 WeakPolarHBondContact CB-O 3.36Å; P504-Q506 PolarHBondContact O-N 2.88Å; Q506-P508 VanDerWaalsContact O-CD 3.23Å; Q506-P508 WeakPolarHBondContact O-CD 3.22Å
507V80.9Confident89.1Confident70 Ų7070.3 Ų70.342%0.42435%0.346SS..  trans-63.8122.7177.1-1790000109.5W509V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 HydrophobicContact CB-CD2 4.41Å; V507-W509 HydrophobicContact CB-CZ2 3.94Å; V507-W509 HydrophobicContact CG1-CD2 3.9Å; V507-W509 HydrophobicContact CG1-CE3 4.35Å; V507-W509 HydrophobicContact CG1-CG 4.38Å; V507-W509 HydrophobicContact CG1-CH2 4.11Å; V507-W509 HydrophobicContact CG1-CZ2 3.7Å; V507-W509 HydrophobicContact CG1-CZ3 4.43Å; V507-W509 HydrophobicContact CG2-CZ2 4.3Å; V507-W509 VanDerWaalsContact O-CD1 3.24Å; V507-W509 PolarHBondContact O-N 2.84Å
508P83.8Confident88.9Confident9 Ų971.8 Ų71.86%0.05835%0.352CS..  trans-75.474.7-180-17.233.1000111.8V438 Y464 P504 Q506 Q510 L511 R516V438-P508 HydrophobicContact CG2-CG 4.1Å; Y464-P508 HydrophobicContact CE1-CG 4.44Å; Y464-P508 VanDerWaalsContact OH-CG 3.26Å; Y464-P508 WeakPolarHBondContact OH-CG 3.26Å; P504-P508 HydrophobicContact CB-CG 3.97Å; P504-P508 HydrophobicContact CG-CG 3.97Å; Q506-P508 VanDerWaalsContact O-CD 3.23Å; Q506-P508 WeakPolarHBondContact O-CD 3.22Å; P508-Q510 PolarHBondContact O-N 3.03Å; P508-L511 HydrophobicContact CB-CD1 4.21Å; P508-L511 HydrophobicContact CB-CG 4.45Å; P508-L511 PolarHBondContact O-N 2.87Å; P508-R516 PolarHBondContact O-NE 3.31Å
509W80.1Confident88.8Confident193 Ų19375.8 Ų75.873%0.73137%0.368SS*.THydrogen-bonded Turntrans-58.5-14.8-176.5-65.3108.3000114.5V507 L511 R516V507-W509 VanDerWaalsContact C-N 3.27Å; V507-W509 HydrophobicContact CB-CD2 4.41Å; V507-W509 HydrophobicContact CB-CZ2 3.94Å; V507-W509 HydrophobicContact CG1-CD2 3.9Å; V507-W509 HydrophobicContact CG1-CE3 4.35Å; V507-W509 HydrophobicContact CG1-CG 4.38Å; V507-W509 HydrophobicContact CG1-CH2 4.11Å; V507-W509 HydrophobicContact CG1-CZ2 3.7Å; V507-W509 HydrophobicContact CG1-CZ3 4.43Å; V507-W509 HydrophobicContact CG2-CZ2 4.3Å; V507-W509 VanDerWaalsContact O-CD1 3.24Å; V507-W509 PolarHBondContact O-N 2.84Å; W509-L511 VanDerWaalsContact C-N 3.3Å; W509-L511 PolarHBondContact O-N 2.77Å; W509-R516 VanDerWaalsContact C-NH2 3.28Å; W509-R516 VanDerWaalsContact CA-NH2 3.27Å; W509-R516 PolarHBondContact O-NH2 3.32Å
510Q78.7Confident88.8Confident133 Ų13378.2 Ų78.262%0.62138%0.38SS*.THydrogen-bonded Turntrans-70.8-23.4177-62.3148.2-13.900113.2L351 P508L351-Q510 PolarHBondContact O-NE2 2.82Å; P508-Q510 PolarHBondContact O-N 3.03Å
511L83.6Confident88.7Confident27 Ų2780.3 Ų80.314%0.14139%0.39CS..SBendtrans-93.3150.2179.8-61.5178.1000110.9V436 V438 P508 W509 Q515 R516V436-L511 HydrophobicContact CB-CD2 4Å; V436-L511 HydrophobicContact CG1-CD2 3.92Å; V438-L511 HydrophobicContact CG2-CD1 3.9Å; P508-L511 HydrophobicContact CB-CD1 4.21Å; P508-L511 HydrophobicContact CB-CG 4.45Å; P508-L511 PolarHBondContact O-N 2.87Å; W509-L511 VanDerWaalsContact C-N 3.3Å; W509-L511 PolarHBondContact O-N 2.77Å; L511-Q515 HydrophobicContact CB-CB 4.33Å; L511-R516 HydrophobicContact CB-CG 3.81Å; L511-R516 PolarHBondContact O-NE 3.43Å; L511-R516 PolarHBondContact O-NH2 3.37Å
512P85.9Confident88.7Confident70 Ų7082.1 Ų82.146%0.45540%0.404SS..  trans-60.7156.2166-21.533.3000113D514 Q515 R516P512-D514 PolarHBondContact O-N 2.79Å; P512-Q515 HydrophobicContact CG-CG 4.48Å; P512-Q515 PolarHBondContact O-N 3.46Å; P512-Q515 VanDerWaalsContact O-N 3.09Å; P512-R516 WeakPolarHBondContact O-CG 3.36Å; P512-R516 PolarHBondContact O-N 3.12Å; P512-R516 VanDerWaalsContact O-N 3.12Å
513G82.9Confident88.7Confident39 Ų3984.1 Ų84.140%0.40242%0.416SS..Hα-helixtrans-50.3-54.6-178.800000113.6Q515 R516 E517G513-Q515 PolarHBondContact O-N 3.44Å; G513-Q515 VanDerWaalsContact O-N 3.14Å; G513-R516 WeakPolarHBondContact O-CA 3.43Å; G513-R516 WeakPolarHBondContact O-CB 3.48Å; G513-R516 PolarHBondContact O-N 3.27Å; G513-E517 PolarHBondContact O-N 3.1Å; G513-E517 VanDerWaalsContact O-N 3.13Å
514D86.6Confident88.8Confident122 Ų12286.2 Ų86.265%0.65243%0.426SS*.Hα-helixtrans-57.3-32.9-179.9-50.5-14.6000113.4P512P512-D514 PolarHBondContact O-N 2.79Å
515Q89.1Confident89Confident39 Ų3985.9 Ų85.918%0.18242%0.422CS..Hα-helixtrans-77.8-26.4178.2-69.3179.87.700112.1V436 V437 V438 L511 P512 G513V436-Q515 WeakPolarHBondContact O-CB 3.22Å; V436-Q515 VanDerWaalsContact O-CD 3.3Å; V436-Q515 PolarHBondContact O-OE1 2.95Å; V437-Q515 HydrophobicContact CG1-CB 4.08Å; V437-Q515 HydrophobicContact CG1-CG 4.1Å; V438-Q515 PolarHBondContact N-O 3.24Å; L511-Q515 HydrophobicContact CB-CB 4.33Å; P512-Q515 HydrophobicContact CG-CG 4.48Å; P512-Q515 PolarHBondContact O-N 3.46Å; P512-Q515 VanDerWaalsContact O-N 3.09Å; G513-Q515 PolarHBondContact O-N 3.44Å; G513-Q515 VanDerWaalsContact O-N 3.14Å
516R88.6Confident89.5Confident44 Ų4482.5 Ų82.517%0.16641%0.413CS..Hα-helixtrans-77.4-27.9175.4-64.5178.4-159.7164.910.4113.3P508 W509 L511 P512 G513 R519P508-R516 PolarHBondContact O-NE 3.31Å; W509-R516 VanDerWaalsContact C-NH2 3.28Å; W509-R516 VanDerWaalsContact CA-NH2 3.27Å; W509-R516 PolarHBondContact O-NH2 3.32Å; L511-R516 HydrophobicContact CB-CG 3.81Å; L511-R516 PolarHBondContact O-NE 3.43Å; L511-R516 PolarHBondContact O-NH2 3.37Å; P512-R516 WeakPolarHBondContact O-CG 3.36Å; P512-R516 PolarHBondContact O-N 3.12Å; P512-R516 VanDerWaalsContact O-N 3.12Å; G513-R516 WeakPolarHBondContact O-CA 3.43Å; G513-R516 WeakPolarHBondContact O-CB 3.48Å; G513-R516 PolarHBondContact O-N 3.27Å; R516-R519 VanDerWaalsContact O-CG 3.3Å; R516-R519 WeakPolarHBondContact O-CG 3.42Å; R516-R519 PolarHBondContact O-NE 2.94Å
517E89.3Confident90Very high156 Ų15674.9 Ų74.973%0.72938%0.378SS*.Hα-helixtrans-75.3-29.8178.3-69.6-180-176.600112.1G513 R519G513-E517 PolarHBondContact O-N 3.1Å; G513-E517 VanDerWaalsContact O-N 3.13Å; E517-R519 PolarHBondContact O-N 3.48Å
518K93.6Very high90.4Very high128 Ų12876.4 Ų76.456%0.55738%0.38SS*.  trans-72.894.4173.4-67.9175.8-176.1178.90110.3V437 V438 A439V437-K518 HydrophobicContact CB-CB 4.09Å; V437-K518 HydrophobicContact CG1-CB 4.14Å; V437-K518 HydrophobicContact CG1-CD 3.94Å; V438-K518 CarbonylContact C-O 3.53Å; V438-K518 PolarHBondContact N-O 3.49Å; A439-K518 WeakPolarHBondContact CB-O 3.12Å; A439-K518 PolarHBondContact N-O 2.98Å
519R95.7Very high90.5Very high84 Ų8479.7 Ų79.732%0.31740%0.402SS..  trans-117.2-7.6-176.3-59.4-169.1178.8-1512.6115.1V438 V501 A502 R516 E517V438-R519 HydrophobicContact CB-CG 4.02Å; V438-R519 HydrophobicContact CG1-CB 4.29Å; V438-R519 HydrophobicContact CG1-CG 3.79Å; V501-R519 WeakPolarHBondContact CA-O 3.36Å; V501-R519 HydrophobicContact CG1-CB 4.18Å; A502-R519 PolarHBondContact N-O 3.18Å; R516-R519 VanDerWaalsContact O-CG 3.3Å; R516-R519 WeakPolarHBondContact O-CG 3.42Å; R516-R519 PolarHBondContact O-NE 2.94Å; E517-R519 PolarHBondContact O-N 3.48Å
520E96.3Very high90.6Very high108 Ų10872 Ų7251%0.50538%0.379SS..EExtended strand (participates in β ladder)trans-127.4153.9-16965176.1-140.900114.1K499 V500 V501K499-E520 HydrophobicContact CD-CB 4.39Å; K499-E520 VanDerWaalsContact CD-OE2 3.31Å; K499-E520 WeakPolarHBondContact CD-OE2 3.42Å; K499-E520 WeakPolarHBondContact CE-OE2 3.44Å; K499-E520 HydrophobicContact CG-CB 4.25Å; K499-E520 IonicContact NZ-OE1 2.94Å; K499-E520 IonicContact NZ-OE2 3.36Å; K499-E520 PolarHBondContact NZ-OE2 3.08Å; V500-E520 VanDerWaalsContact O-CA 3.31Å; V500-E520 WeakPolarHBondContact O-CA 3.49Å; V501-E520 HydrophobicContact CB-CB 4.5Å; V501-E520 HydrophobicContact CG2-CB 3.91Å
521I97.3Very high90.5Very high44 Ų4466.4 Ų66.423%0.22636%0.357CS..EExtended strand (participates in β ladder)trans-139.1145.5170-174.3166.8000108.1P440 L443 K499 V500P440-I521 HydrophobicContact CB-CG2 4.44Å; P440-I521 HydrophobicContact CG-CG2 3.71Å; L443-I521 HydrophobicContact CB-CD1 3.81Å; L443-I521 HydrophobicContact CB-CG1 3.95Å; L443-I521 HydrophobicContact CB-CG2 3.97Å; L443-I521 HydrophobicContact CD2-CG1 4.5Å; L443-I521 HydrophobicContact CD2-CG2 4.09Å; L443-I521 HydrophobicContact CG-CG2 4.43Å; K499-I521 CarbonylContact C-O 3.53Å; K499-I521 WeakPolarHBondContact CA-O 3.14Å; V500-I521 HydrophobicContact CB-CG2 4.32Å; V500-I521 PolarHBondContact N-O 2.77Å; V500-I521 PolarHBondContact O-N 2.82Å
522S97.2Very high90.5Very high62 Ų6268.7 Ų68.743%0.43437%0.373SS..EExtended strand (participates in β ladder)trans-135.6153.9179.865.20000112.3V498V498-S522 CarbonylContact O-C 3.55Å; V498-S522 WeakPolarHBondContact O-CA 3.47Å; V498-S522 VanDerWaalsContact O-CB 3.26Å; V498-S522 WeakPolarHBondContact O-CB 3.44Å
523V97.4Very high90.7Very high43 Ų4365.5 Ų65.526%0.26135%0.353SS..EExtended strand (participates in β ladder)trans-147.4148.1176.669.60000108.8L443 V445 V498L443-V523 HydrophobicContact CD2-CB 3.97Å; L443-V523 HydrophobicContact CD2-CG1 3.5Å; L443-V523 VanDerWaalsContact CD2-CG1 3.5Å; L443-V523 HydrophobicContact CG-CB 4.39Å; L443-V523 HydrophobicContact CG-CG1 3.82Å; V445-V523 HydrophobicContact CG2-CG1 3.52Å; V498-V523 HydrophobicContact CB-CG1 4.33Å; V498-V523 PolarHBondContact N-O 2.94Å; V498-V523 PolarHBondContact O-N 2.89Å
524E97Very high91.1Very high122 Ų12267.1 Ų67.157%0.5735%0.352SS*.EExtended strand (participates in β ladder)trans-108.6139.6175.5-68.4174.7-173.900109.2Y496 K497Y496-E524 CarbonylContact O-C 3.44Å; Y496-E524 WeakPolarHBondContact O-CA 3.41Å; K497-E524 HydrophobicContact CB-CG 3.91Å; K497-E524 HydrophobicContact CD-CG 4.33Å; K497-E524 WeakPolarHBondContact CD-OE1 3.46Å; K497-E524 HydrophobicContact CG-CG 3.84Å; K497-E524 IonicContact NZ-OE1 3.32Å
525F96.6Very high91.5Very high14 Ų1463.1 Ų63.16%0.06133%0.333CS..EExtended strand (participates in β ladder)trans-139.8155.9175.678.4-84.3000110.2V445 I448 A453 L490 V495 Y496 V498 T527V445-F525 HydrophobicContact CB-CB 4.24Å; V445-F525 HydrophobicContact CB-CD1 4.47Å; V445-F525 HydrophobicContact CB-CG 4.34Å; V445-F525 HydrophobicContact CG1-CB 4.2Å; V445-F525 HydrophobicContact CG1-CD1 3.99Å; V445-F525 HydrophobicContact CG1-CD2 4.07Å; V445-F525 HydrophobicContact CG1-CE1 4.37Å; V445-F525 HydrophobicContact CG1-CE2 4.45Å; V445-F525 HydrophobicContact CG1-CG 3.82Å; V445-F525 HydrophobicContact CG2-CB 4.35Å; V445-F525 HydrophobicContact CG2-CD1 4.05Å; V445-F525 HydrophobicContact CG2-CG 4.36Å; I448-F525 HydrophobicContact CD1-CB 3.98Å; I448-F525 HydrophobicContact CD1-CD2 4.02Å; I448-F525 HydrophobicContact CD1-CG 4.37Å; I448-F525 HydrophobicContact CG1-CD2 4.1Å; I448-F525 HydrophobicContact CG2-CD2 3.99Å; I448-F525 HydrophobicContact CG2-CE2 4.32Å; A453-F525 HydrophobicContact CB-CD2 4.24Å; A453-F525 HydrophobicContact CB-CE2 3.52Å; A453-F525 HydrophobicContact CB-CZ 3.76Å; L490-F525 HydrophobicContact CD1-CE2 3.87Å; L490-F525 HydrophobicContact CD1-CZ 3.68Å; V495-F525 WeakPolarHBondContact CA-O 3.35Å; Y496-F525 VanDerWaalsContact CB-CE1 3.47Å; Y496-F525 HydrophobicContact CD2-CE2 4.25Å; Y496-F525 HydrophobicContact CD2-CZ 4.06Å; Y496-F525 HydrophobicContact CG-CE1 4.33Å; Y496-F525 HydrophobicContact CG-CZ 4.13Å; Y496-F525 PolarHBondContact N-O 3.28Å; Y496-F525 PolarHBondContact O-N 3.45Å; V498-F525 HydrophobicContact CG2-CD1 3.77Å; V498-F525 HydrophobicContact CG2-CE1 3.38Å; F525-T527 HydrophobicContact CE2-CG2 4.05Å
526C95.6Very high91.7Very high62 Ų6261.3 Ų61.342%0.41932%0.324SS..EExtended strand (participates in β ladder)trans-117.6125.8176.8-171.20000109.4I448 T494 V495I448-C526 WeakPolarHBondContact CG2-O 3.5Å; T494-C526 WeakPolarHBondContact O-CA 3.44Å; V495-C526 HydrophobicContact CG2-CB 4.16Å
527T94Very high92Very high3 Ų363.7 Ų63.72%0.01834%0.337CS..PPolyproline II helixtrans-64.3151.9172.452.60000111.1L490 K491 M493 T494 Y496 F525L490-T527 HydrophobicContact CB-CG2 3.85Å; L490-T527 HydrophobicContact CD1-CG2 3.87Å; K491-T527 PolarHBondContact O-OG1 2.92Å; M493-T527 PolarHBondContact N-OG1 3.04Å; T494-T527 PolarHBondContact N-OG1 3.11Å; T494-T527 PolarHBondContact O-N 3.24Å; T494-T527 PolarHBondContact O-OG1 2.88Å; Y496-T527 HydrophobicContact CD2-CG2 3.91Å; Y496-T527 HydrophobicContact CE2-CG2 3.73Å; F525-T527 HydrophobicContact CE2-CG2 4.05Å
528Q89.3Confident92.2Very high103 Ų10361.6 Ų61.648%0.48133%0.327SS..PPolyproline II helixtrans-65.2157.5178.2-60.6-172.50.100112.1I448 T449 Q450 M493I448-Q528 VanDerWaalsContact O-CD 3.27Å; I448-Q528 WeakPolarHBondContact O-CG 3.36Å; I448-Q528 PolarHBondContact O-NE2 3.06Å; T449-Q528 PolarHBondContact O-N 3.23Å; T449-Q528 VanDerWaalsContact O-N 3.14Å; Q450-Q528 WeakPolarHBondContact CA-O 3.39Å; Q450-Q528 HydrophobicContact CB-CB 4.38Å; Q450-Q528 WeakPolarHBondContact CB-O 3.49Å; M493-Q528 PolarHBondContact N-O 3.11Å
529P85.8Confident92.3Very high78 Ų7856.2 Ų56.251%0.50631%0.305SS..PPolyproline II helixtrans-55.5154.8166.6-19.429.8000111Q450 M493 G531Q450-P529 WeakPolarHBondContact CB-O 3.41Å; M493-P529 HydrophobicContact CE-CG 4.36Å; M493-P529 HydrophobicContact SD-CB 4.26Å; M493-P529 HydrophobicContact SD-CG 3.8Å; P529-G531 PolarHBondContact O-N 3.35Å; P529-G531 VanDerWaalsContact O-N 3.16Å
530A81.9Confident92.2Very high31 Ų3156.9 Ų56.926%0.25631%0.312SS..PPolyproline II helixtrans-54.2123.7169.700000109.5G567 Q616A530-G567 VanDerWaalsContact CB-C 3.5Å; A530-G567 WeakPolarHBondContact CB-O 3.14Å; A530-Q616 HydrophobicContact CB-CG 4.31Å
531G76.3Confident92Very high16 Ų1652.5 Ų52.517%0.16529%0.293CS..PPolyproline II helixtrans-80.9169.6174.100000110.8P529 N566 A568P529-G531 PolarHBondContact O-N 3.35Å; P529-G531 VanDerWaalsContact O-N 3.16Å; G531-N566 WeakPolarHBondContact CA-ND2 3.27Å; G531-N566 PolarHBondContact N-O 2.94Å; G531-A568 WeakPolarHBondContact O-CB 3.24Å
532P84.9Confident91.6Very high74 Ų7454.1 Ų54.148%0.48130%0.299SS..PPolyproline II helixtrans-56.5142.6171.225.4-32.9000109.3N566P532-N566 WeakPolarHBondContact O-CB 3.39Å; P532-N566 PolarHBondContact O-ND2 3.28Å
533P90Very high90.8Very high3 Ų355.1 Ų55.12%0.01931%0.305CS..PPolyproline II helixtrans-58.5151.418026.7-35000110A568 V570 T612 S614 S619P533-A568 HydrophobicContact CB-CB 4.34Å; P533-V570 HydrophobicContact CB-CG2 4.23Å; P533-T612 HydrophobicContact CB-CG2 3.74Å; P533-T612 HydrophobicContact CG-CG2 4.1Å; P533-S614 WeakPolarHBondContact CD-OG 3.14Å; P533-S619 WeakPolarHBondContact O-CA 3.2Å; P533-S619 WeakPolarHBondContact O-CB 3.42Å
534L90.8Very high89.8Confident74 Ų7453.6 Ų53.639%0.38730%0.299SS..PPolyproline II helixtrans-67.8142.7176-66.4172000109.9P557 S565 N566 T612L534-P557 HydrophobicContact CB-CB 3.8Å; L534-P557 WeakPolarHBondContact O-CG 3.47Å; L534-S565 PolarHBondContact N-OG 3.13Å; L534-S565 VanDerWaalsContact N-OG 3.12Å; L534-N566 HydrophobicContact CG-CB 4.34Å; L534-T612 WeakPolarHBondContact O-CB 3.39Å; L534-T612 PolarHBondContact O-OG1 3.3Å
535P94.6Very high88.7Confident38 Ų3857.5 Ų57.525%0.24732%0.317CS..PPolyproline II helixtrans-66.5152.6174.328.3-33.9000111Q620P535-Q620 WeakPolarHBondContact CB-O 3.46Å
536P94.8Very high87.8Confident0 Ų061.1 Ų61.10%034%0.34CS..PPolyproline II helixtrans-68.8153.1173.730.5-31.5000110.8W554 K555 Y573 V610 T612 S622P536-W554 HydrophobicContact CB-CB 4.08Å; P536-W554 HydrophobicContact CB-CG 3.96Å; P536-W554 HydrophobicContact CG-CG 4.49Å; P536-K555 WeakPolarHBondContact CA-O 3.47Å; P536-K555 WeakPolarHBondContact CB-O 3.36Å; P536-Y573 HydrophobicContact CB-CD1 4.34Å; P536-Y573 HydrophobicContact CB-CE1 4.2Å; P536-Y573 HydrophobicContact CG-CD1 4.22Å; P536-V610 HydrophobicContact CG-CB 3.68Å; P536-V610 HydrophobicContact CG-CG1 3.63Å; P536-T612 WeakPolarHBondContact CD-OG1 3.33Å; P536-S622 WeakPolarHBondContact O-CB 3.33Å
537Q94.1Very high87Confident95 Ų9564.1 Ų64.144%0.44436%0.359SS..EExtended strand (participates in β ladder)trans-107.7167.9-176.2-63.8175.617.800110.9V539 K555Q537-V539 VanDerWaalsContact C-N 3.3Å; Q537-V539 PolarHBondContact O-N 3.44Å; Q537-K555 HydrophobicContact CB-CB 4.36Å; Q537-K555 PolarHBondContact N-O 3.13Å; Q537-K555 WeakPolarHBondContact O-CB 3.34Å; Q537-K555 PolarHBondContact O-N 2.97Å
538E93.4Very high86.4Confident111 Ų11165.6 Ų65.652%0.51937%0.374SS..EExtended strand (participates in β ladder)trans53.642.5172.1-58.2173.6-144.800113.7Q540 K555E538-Q540 PolarHBondContact O-N 3.41Å; E538-K555 HydrophobicContact CB-CB 4.24Å; E538-K555 HydrophobicContact CG-CD 4.45Å; E538-K555 WeakPolarHBondContact OE1-CD 3.38Å; E538-K555 IonicContact OE1-NZ 3.66Å; E538-K555 PolarHBondContact OE1-NZ 2.97Å
539V94.9Very high86.3Confident16 Ų1662.1 Ų62.110%0.09736%0.36CS..EExtended strand (participates in β ladder)trans-68.3127.2179.4-173.70000110.4Q537 V552 R553 W554 V610 S622 A625Q537-V539 VanDerWaalsContact C-N 3.3Å; Q537-V539 PolarHBondContact O-N 3.44Å; V539-V552 HydrophobicContact CG1-CG1 4.08Å; V539-R553 CarbonylContact C-O 3.51Å; V539-R553 WeakPolarHBondContact CA-O 3.39Å; V539-W554 HydrophobicContact CG2-CB 4.01Å; V539-V610 HydrophobicContact CG1-CG2 3.61Å; V539-V610 HydrophobicContact CG2-CB 4.29Å; V539-V610 HydrophobicContact CG2-CG2 4.07Å; V539-S622 WeakPolarHBondContact CG2-OG 3.45Å; V539-A625 HydrophobicContact CB-CB 4.08Å; V539-A625 HydrophobicContact CG1-CB 3.63Å; V539-A625 WeakPolarHBondContact O-CB 3.43Å
540Q93.3Very high86.5Confident97 Ų9758.4 Ų58.445%0.45334%0.336SS..EExtended strand (participates in β ladder)trans-138.5149.8-177.6-64.5176.72300110.8E538 V552 R553E538-Q540 PolarHBondContact O-N 3.41Å; Q540-V552 WeakPolarHBondContact O-CA 3.5Å; Q540-R553 PolarHBondContact N-O 3.46Å; Q540-R553 PolarHBondContact O-N 2.72Å
541V92.5Very high87Confident17 Ų1759 Ų5910%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-114.1124.6176-176.20000109L550 V552 V608 A625 I627V541-L550 HydrophobicContact CG1-CD1 4.38Å; V541-L550 HydrophobicContact CG1-CD2 4Å; V541-V552 HydrophobicContact CG2-CG2 4.43Å; V541-V608 HydrophobicContact CG2-CG2 3.4Å; V541-V608 VanDerWaalsContact CG2-CG2 3.4Å; V541-A625 HydrophobicContact CG2-CB 4.09Å; V541-I627 HydrophobicContact CG1-CG2 4.42Å; V541-I627 HydrophobicContact CG2-CG1 4.44Å
542Q89.8Confident87.9Confident78 Ų7858.2 Ų58.236%0.36433%0.326SS..EExtended strand (participates in β ladder)trans-125.9158.2-179.1-60.4-177.212.400110.5G544 Q551Q542-G544 PolarHBondContact O-N 2.94Å; Q542-Q551 PolarHBondContact N-O 2.6Å; Q542-Q551 PolarHBondContact O-N 2.92Å
543C80.6Confident88.4Confident82 Ų8259.8 Ų59.855%0.55432%0.322SS*.EExtended strand (participates in β ladder)trans-70.7126.9172.6-1660000109.2L631C543-L631 HydrophobicContact CB-CD1 4.5Å; C543-L631 HydrophobicContact CB-CD2 3.72Å
544G74.8Confident88.7Confident12 Ų1259.9 Ų59.912%0.12432%0.322CS..  trans-67.1159.9173.300000111.5Q542 T546 V549Q542-G544 PolarHBondContact O-N 2.94Å; G544-T546 PolarHBondContact O-N 2.86Å; G544-V549 WeakPolarHBondContact CA-O 3.4Å; G544-V549 PolarHBondContact N-O 3.14Å
545Q75.9Confident88.9Confident203 Ų20361.2 Ų61.295%0.94933%0.325SS*.SBendtrans-66.8-22.8175.2-65.1-177-15.300112.4
546T76.8Confident88.9Confident90 Ų9061.2 Ų61.255%0.55233%0.325SS*.SBendtrans-95.7130.6177.5-41.80000110.2G544 G548 V549G544-T546 PolarHBondContact O-N 2.86Å; T546-G548 PolarHBondContact O-N 2.94Å; T546-V549 HydrophobicContact CG2-CG2 4.48Å; T546-V549 PolarHBondContact O-N 3.34Å
547P77.8Confident88.7Confident125 Ų12561.4 Ų61.481%0.81233%0.326SS*.THydrogen-bonded Turntrans-55135.7172.2-23.733.1000111.3
548G81.6Confident88.4Confident34 Ų3461.3 Ų61.335%0.35133%0.334SS..THydrogen-bonded Turntrans85.15.5-17900000115.1T546 L597T546-G548 PolarHBondContact O-N 2.94Å; G548-L597 WeakPolarHBondContact O-CB 3.42Å; G548-L597 PolarHBondContact O-N 3.28Å
549V88.5Confident88.1Confident30 Ų3058.5 Ų58.518%0.18232%0.322CS..EExtended strand (participates in β ladder)trans-123132.4178.6-176.50000111.3G544 T546G544-V549 WeakPolarHBondContact CA-O 3.4Å; G544-V549 PolarHBondContact N-O 3.14Å; T546-V549 HydrophobicContact CG2-CG2 4.48Å; T546-V549 PolarHBondContact O-N 3.34Å
550L89.5Confident87.5Confident0 Ų059.4 Ų59.40%033%0.327CS..EExtended strand (participates in β ladder)trans-97.8143168.5-78.1171.8000110.3V541 S594 V595 L597 I600 I627 L631V541-L550 HydrophobicContact CG1-CD1 4.38Å; V541-L550 HydrophobicContact CG1-CD2 4Å; L550-S594 CarbonylContact O-C 3.54Å; L550-S594 WeakPolarHBondContact O-CA 3.37Å; L550-V595 PolarHBondContact N-O 3.38Å; L550-V595 PolarHBondContact O-N 2.96Å; L550-L597 HydrophobicContact CD1-CD2 3.42Å; L550-L597 VanDerWaalsContact CD1-CD2 3.42Å; L550-L597 HydrophobicContact CD1-CG 4.04Å; L550-L597 HydrophobicContact CD2-CD2 4.33Å; L550-L597 HydrophobicContact CG-CD1 4.35Å; L550-L597 HydrophobicContact CG-CD2 3.62Å; L550-L597 HydrophobicContact CG-CG 3.77Å; L550-I600 HydrophobicContact CB-CD1 4.37Å; L550-I600 HydrophobicContact CD1-CD1 3.49Å; L550-I600 VanDerWaalsContact CD1-CD1 3.49Å; L550-I627 HydrophobicContact CD1-CG2 4Å; L550-L631 HydrophobicContact CD2-CB 3.92Å; L550-L631 HydrophobicContact CD2-CD1 3.52Å; L550-L631 HydrophobicContact CD2-CG 4.26Å
551Q92.8Very high86.8Confident44 Ų4461.2 Ų61.221%0.20635%0.348CS..EExtended strand (participates in β ladder)trans-105.8118.5172.5-165.5175.825.700108.7Q542 F592Q542-Q551 PolarHBondContact N-O 2.6Å; Q542-Q551 PolarHBondContact O-N 2.92Å; Q551-F592 HydrophobicContact CG-CB 4.1Å; Q551-F592 HydrophobicContact CG-CD2 3.88Å; Q551-F592 HydrophobicContact CG-CG 4.27Å
552V94.7Very high86.1Confident0 Ų065 Ų650%038%0.375CS..EExtended strand (participates in β ladder)trans-96.9120.7171.3-175.20000106.8V539 Q540 V541 W554 V575 F592 V593 V595 V608 V610V539-V552 HydrophobicContact CG1-CG1 4.08Å; Q540-V552 WeakPolarHBondContact O-CA 3.5Å; V541-V552 HydrophobicContact CG2-CG2 4.43Å; V552-W554 HydrophobicContact CB-CZ3 4.38Å; V552-W554 HydrophobicContact CG1-CE3 4.19Å; V552-W554 HydrophobicContact CG1-CZ3 4.25Å; V552-W554 WeakPolarHBondContact O-CZ3 3.2Å; V552-V575 HydrophobicContact CB-CG2 4.41Å; V552-V575 HydrophobicContact CG1-CG1 4.26Å; V552-V575 HydrophobicContact CG1-CG2 4.31Å; V552-V575 HydrophobicContact CG2-CG1 4.2Å; V552-F592 CarbonylContact O-C 3.54Å; V552-F592 WeakPolarHBondContact O-CA 3.42Å; V552-F592 WeakPolarHBondContact O-CB 3.44Å; V552-V593 HydrophobicContact CB-CG1 4.48Å; V552-V593 PolarHBondContact N-O 2.87Å; V552-V593 PolarHBondContact O-N 3Å; V552-V595 HydrophobicContact CG2-CG2 3.97Å; V552-V608 HydrophobicContact CG1-CG2 4.09Å; V552-V608 HydrophobicContact CG2-CG2 4.33Å; V552-V610 HydrophobicContact CG1-CG2 3.95Å
553R95.3Very high85.8Confident106 Ų10662.3 Ų62.340%0.437%0.368SS..EExtended strand (participates in β ladder)trans-120.5145-174-171.2177.814678.57.8109.4V539 Q540 D591 F592V539-R553 CarbonylContact C-O 3.51Å; V539-R553 WeakPolarHBondContact CA-O 3.39Å; Q540-R553 PolarHBondContact N-O 3.46Å; Q540-R553 PolarHBondContact O-N 2.72Å; R553-D591 CarbonylContact C-O 3.6Å; R553-D591 VanDerWaalsContact CA-O 3.3Å; R553-D591 WeakPolarHBondContact CA-O 3.45Å; R553-D591 VanDerWaalsContact CG-O 3.28Å; R553-D591 WeakPolarHBondContact CG-O 3.38Å; R553-D591 IonicContact CZ-OD2 2.81Å; R553-D591 IonicContact NH1-OD2 2.67Å; R553-D591 PolarHBondContact NH1-OD2 3Å; R553-F592 HydrophobicContact CB-CB 4.18Å; R553-F592 HydrophobicContact CG-CB 4.21Å
554W96.6Very high86.1Confident6 Ų659.6 Ų59.62%0.02335%0.349CS..EExtended strand (participates in β ladder)trans-151.9168.8-17959.884.4000110.9P536 V539 V552 Y573 V575 V585 A590 D591 F592 V593 V610P536-W554 HydrophobicContact CB-CB 4.08Å; P536-W554 HydrophobicContact CB-CG 3.96Å; P536-W554 HydrophobicContact CG-CG 4.49Å; V539-W554 HydrophobicContact CG2-CB 4.01Å; V552-W554 HydrophobicContact CB-CZ3 4.38Å; V552-W554 HydrophobicContact CG1-CE3 4.19Å; V552-W554 HydrophobicContact CG1-CZ3 4.25Å; V552-W554 WeakPolarHBondContact O-CZ3 3.2Å; W554-Y573 AromaticContact CE2-CD2 3.95Å; W554-Y573 AromaticContact CE2-CG 3.79Å; W554-Y573 HydrophobicContact CZ2-CD1 4.49Å; W554-Y573 AromaticContact CZ2-CD2 3.69Å; W554-Y573 HydrophobicContact CZ2-CD2 3.69Å; W554-Y573 AromaticContact CZ2-CG 3.68Å; W554-Y573 HydrophobicContact CZ2-CG 3.68Å; W554-Y573 AromaticContact NE1-CD1 3.68Å; W554-Y573 AromaticContact NE1-CD2 3.67Å; W554-Y573 AromaticContact NE1-CE1 3.79Å; W554-Y573 AromaticContact NE1-CE2 3.78Å; W554-Y573 AromaticContact NE1-CG 3.63Å; W554-Y573 AromaticContact NE1-CZ 3.85Å; W554-V575 HydrophobicContact CH2-CG2 4.41Å; W554-V575 HydrophobicContact CZ3-CG2 3.99Å; W554-V585 HydrophobicContact CH2-CG1 3.87Å; W554-V585 HydrophobicContact CZ2-CG1 3.77Å; W554-A590 HydrophobicContact CZ2-CB 4.33Å; W554-A590 PolarHBondContact NE1-O 3.44Å; W554-D591 PolarHBondContact N-O 3.04Å; W554-D591 WeakPolarHBondContact O-CA 3.47Å; W554-D591 WeakPolarHBondContact O-CB 3.26Å; W554-D591 VanDerWaalsContact O-O 3.06Å; W554-F592 VanDerWaalsContact CH2-C 3.4Å; W554-V593 HydrophobicContact CH2-CB 3.84Å; W554-V593 HydrophobicContact CH2-CG1 3.84Å; W554-V593 HydrophobicContact CZ3-CB 4.21Å; W554-V593 HydrophobicContact CZ3-CG1 3.83Å; W554-V610 HydrophobicContact CD2-CG1 4.05Å; W554-V610 HydrophobicContact CD2-CG2 4.5Å; W554-V610 HydrophobicContact CE3-CG1 4.07Å; W554-V610 HydrophobicContact CE3-CG2 3.94Å; W554-V610 HydrophobicContact CZ3-CG1 4.32Å; W554-V610 HydrophobicContact CZ3-CG2 4.4Å
555K95.5Very high86.7Confident101 Ų10159 Ų5944%0.43934%0.343SS..EExtended strand (participates in β ladder)trans-99.3117.5169.8-174177.9-175.4179.90109.4P536 Q537 E538P536-K555 WeakPolarHBondContact CA-O 3.47Å; P536-K555 WeakPolarHBondContact CB-O 3.36Å; Q537-K555 HydrophobicContact CB-CB 4.36Å; Q537-K555 PolarHBondContact N-O 3.13Å; Q537-K555 WeakPolarHBondContact O-CB 3.34Å; Q537-K555 PolarHBondContact O-N 2.97Å; E538-K555 HydrophobicContact CB-CB 4.24Å; E538-K555 HydrophobicContact CG-CD 4.45Å; E538-K555 WeakPolarHBondContact OE1-CD 3.38Å; E538-K555 IonicContact OE1-NZ 3.66Å; E538-K555 PolarHBondContact OE1-NZ 2.97Å
556P93.3Very high87.1Confident39 Ų3951.7 Ų51.725%0.25331%0.31SS..PPolyproline II helixtrans-49.4143.7172.5-3339.4000112.4Y573 D591P556-Y573 VanDerWaalsContact CB-OH 3.31Å; P556-Y573 WeakPolarHBondContact CB-OH 3.49Å; P556-D591 HydrophobicContact CG-CB 4.47Å
557P91.3Very high87.1Confident3 Ų348 Ų482%0.01929%0.291CS..PPolyproline II helixtrans-61.2159.1170.329.2-35.7000110.4L534 L559 Y573 T612L534-P557 HydrophobicContact CB-CB 3.8Å; L534-P557 WeakPolarHBondContact O-CG 3.47Å; P557-L559 HydrophobicContact CG-CD2 4.28Å; P557-L559 WeakPolarHBondContact O-CG 3.47Å; P557-L559 PolarHBondContact O-N 3.27Å; P557-L559 VanDerWaalsContact O-N 3.08Å; P557-Y573 WeakPolarHBondContact CD-OH 3.48Å; P557-T612 HydrophobicContact CG-CG2 4.24Å
558P87.4Confident87.5Confident94 Ų9442.1 Ų42.161%0.6125%0.252SS*.PPolyproline II helixtrans-56.5118.5173.9-22.633.1000110.5
559L86.9Confident87.9Confident51 Ų5142.9 Ų42.927%0.26725%0.252SS..  trans-105139.4177.4-59-178.1000109.9P557 T564 V570 P588 T589P557-L559 HydrophobicContact CG-CD2 4.28Å; P557-L559 WeakPolarHBondContact O-CG 3.47Å; P557-L559 PolarHBondContact O-N 3.27Å; P557-L559 VanDerWaalsContact O-N 3.08Å; L559-T564 WeakPolarHBondContact CA-O 3.05Å; L559-V570 HydrophobicContact CD2-CB 4.09Å; L559-V570 HydrophobicContact CD2-CG2 3.65Å; L559-P588 HydrophobicContact CD1-CB 4.23Å; L559-P588 WeakPolarHBondContact CD1-O 3.45Å; L559-T589 HydrophobicContact CD1-CG2 4.17Å
560T81.9Confident88.1Confident35 Ų3541.9 Ų41.922%0.21525%0.246CC..  trans-69.1164.7166.961.80000110.6S562 G563 T564T560-S562 PolarHBondContact O-N 3.2Å; T560-S562 VanDerWaalsContact O-N 3.07Å; T560-S562 PolarHBondContact OG1-OG 3.3Å; T560-G563 PolarHBondContact O-N 2.91Å; T560-T564 WeakPolarHBondContact CG2-OG1 3.43Å; T560-T564 PolarHBondContact N-O 2.99Å; T560-T564 PolarHBondContact OG1-N 3.1Å; T560-T564 PolarHBondContact OG1-O 3.27Å; T560-T564 PolarHBondContact OG1-OG1 3.48Å
561P78.9Confident88.3Confident136 Ų13645.1 Ų45.188%0.88326%0.263SS*.THydrogen-bonded Turntrans-57-22.4173.1-25.935.3000114.1G563P561-G563 VanDerWaalsContact C-N 3.3Å
562S78.1Confident88.5Confident95 Ų9543 Ų4366%0.66425%0.253SS*.THydrogen-bonded Turntrans-87.78.1174.451.20000113.7T560T560-S562 PolarHBondContact O-N 3.2Å; T560-S562 VanDerWaalsContact O-N 3.07Å; T560-S562 PolarHBondContact OG1-OG 3.3Å
563G84.4Confident88.6Confident22 Ų2243.1 Ų43.123%0.22725%0.253CS..SBendtrans74.423176.100000114.3T560 P561 V570T560-G563 PolarHBondContact O-N 2.91Å; P561-G563 VanDerWaalsContact C-N 3.3Å; G563-V570 PolarHBondContact O-N 3.03Å; G563-V570 VanDerWaalsContact O-N 3.11Å
564T86.4Confident88.6Confident25 Ų2538 Ų3815%0.15323%0.234CC..EExtended strand (participates in β ladder)trans-99.9142.9179.867.30000112.4L559 T560 A568L559-T564 WeakPolarHBondContact CA-O 3.05Å; T560-T564 WeakPolarHBondContact CG2-OG1 3.43Å; T560-T564 PolarHBondContact N-O 2.99Å; T560-T564 PolarHBondContact OG1-N 3.1Å; T560-T564 PolarHBondContact OG1-O 3.27Å; T560-T564 PolarHBondContact OG1-OG1 3.48Å; T564-A568 CarbonylContact C-O 3.1Å; T564-A568 WeakPolarHBondContact CA-O 3.22Å; T564-A568 WeakPolarHBondContact CB-O 3.24Å
565S86.6Confident88.6Confident0 Ų037.8 Ų37.80%023%0.234CC..EExtended strand (participates in β ladder)trans-120.7125.9169.9-176.30000108.2L534 G567 A568 V570L534-S565 PolarHBondContact N-OG 3.13Å; L534-S565 VanDerWaalsContact N-OG 3.12Å; S565-G567 PolarHBondContact O-N 2.88Å; S565-G567 VanDerWaalsContact O-N 3.13Å; S565-A568 PolarHBondContact N-O 3.5Å; S565-A568 WeakPolarHBondContact O-CB 3.47Å; S565-A568 PolarHBondContact O-N 3.07Å; S565-V570 VanDerWaalsContact CB-CG2 3.45Å
566N84Confident88.5Confident49 Ų4933.3 Ų33.326%0.26222%0.215SC..THydrogen-bonded Turntrans53.333.1-176.3-153.736000113.4Q450 G531 P532 L534 A568Q450-N566 VanDerWaalsContact CD-OD1 3.25Å; Q450-N566 VanDerWaalsContact CG-C 3.49Å; Q450-N566 WeakPolarHBondContact CG-O 3.24Å; Q450-N566 VanDerWaalsContact NE2-CA 3.33Å; Q450-N566 PolarHBondContact NE2-OD1 3.32Å; Q450-N566 PolarHBondContact OE1-OD1 2.9Å; G531-N566 WeakPolarHBondContact CA-ND2 3.27Å; G531-N566 PolarHBondContact N-O 2.94Å; P532-N566 WeakPolarHBondContact O-CB 3.39Å; P532-N566 PolarHBondContact O-ND2 3.28Å; L534-N566 HydrophobicContact CG-CB 4.34Å; N566-A568 PolarHBondContact O-N 3.43Å
567G78.3Confident88.5Confident14 Ų1431.6 Ų31.614%0.14420%0.204CC..THydrogen-bonded Turntrans78.2-11.4-175.100000115.3A530 S565A530-G567 VanDerWaalsContact CB-C 3.5Å; A530-G567 WeakPolarHBondContact CB-O 3.14Å; S565-G567 PolarHBondContact O-N 2.88Å; S565-G567 VanDerWaalsContact O-N 3.13Å
568A86Confident88.3Confident0 Ų037.5 Ų37.50%023%0.229CC..EExtended strand (participates in β ladder)trans-86.2137177.100000111.7G531 P533 T564 S565 N566 V570 Q616G531-A568 WeakPolarHBondContact O-CB 3.24Å; P533-A568 HydrophobicContact CB-CB 4.34Å; T564-A568 CarbonylContact C-O 3.1Å; T564-A568 WeakPolarHBondContact CA-O 3.22Å; T564-A568 WeakPolarHBondContact CB-O 3.24Å; S565-A568 PolarHBondContact N-O 3.5Å; S565-A568 WeakPolarHBondContact O-CB 3.47Å; S565-A568 PolarHBondContact O-N 3.07Å; N566-A568 PolarHBondContact O-N 3.43Å; A568-V570 PolarHBondContact O-N 3.34Å; A568-V570 VanDerWaalsContact O-N 3.16Å; A568-Q616 HydrophobicContact CB-CB 4.25Å
569S89.3Confident88.2Confident50 Ų5036.5 Ų36.535%0.3524%0.236SC..EExtended strand (participates in β ladder)trans-75104.3179-590000109.7I571 S614 T615S569-I571 PolarHBondContact O-N 3.37Å; S569-S614 CarbonylContact O-C 3.54Å; S569-S614 WeakPolarHBondContact O-CA 3.49Å; S569-S614 WeakPolarHBondContact O-CB 3.42Å; S569-T615 PolarHBondContact O-N 3.49Å
570V93.2Very high88.3Confident9 Ų939.2 Ų39.26%0.05525%0.248CC..EExtended strand (participates in β ladder)trans-68.6129.8-178.9177.80000108.7P533 L559 G563 S565 A568 P588 T612 L613P533-V570 HydrophobicContact CB-CG2 4.23Å; L559-V570 HydrophobicContact CD2-CB 4.09Å; L559-V570 HydrophobicContact CD2-CG2 3.65Å; G563-V570 PolarHBondContact O-N 3.03Å; G563-V570 VanDerWaalsContact O-N 3.11Å; S565-V570 VanDerWaalsContact CB-CG2 3.45Å; A568-V570 PolarHBondContact O-N 3.34Å; A568-V570 VanDerWaalsContact O-N 3.16Å; V570-P588 HydrophobicContact CB-CB 4.29Å; V570-P588 HydrophobicContact CG1-CB 3.96Å; V570-P588 WeakPolarHBondContact O-CG 3.48Å; V570-T612 HydrophobicContact CB-CG2 4.33Å; V570-T612 HydrophobicContact CG1-CG2 3.58Å; V570-T612 HydrophobicContact CG2-CG2 3.8Å; V570-L613 CarbonylContact C-O 3.53Å; V570-L613 WeakPolarHBondContact CA-O 3.48Å
571I94.6Very high88.8Confident69 Ų6942.4 Ų42.435%0.35426%0.258SS..EExtended strand (participates in β ladder)trans-109.1-20177.962.3174.7000112S569 L586 Y587 L613 T615S569-I571 PolarHBondContact O-N 3.37Å; I571-L586 CarbonylContact O-C 3.51Å; I571-L586 VanDerWaalsContact O-CA 3.29Å; I571-L586 WeakPolarHBondContact O-CA 3.48Å; I571-Y587 PolarHBondContact O-N 2.99Å; I571-L613 HydrophobicContact CD1-CB 4.13Å; I571-L613 HydrophobicContact CG1-CB 3.64Å; I571-L613 WeakPolarHBondContact CG1-O 3.38Å; I571-L613 PolarHBondContact N-O 3.32Å; I571-T615 HydrophobicContact CG2-CG2 3.65Å
572G95.3Very high89.5Confident0 Ų036.1 Ų36.10%022%0.217CC..EExtended strand (participates in β ladder)trans164.7-160.2-173.900000114.7V585 L613G572-V585 CarbonylContact C-O 3.51Å; G572-V585 WeakPolarHBondContact CA-O 3.49Å; G572-L613 PolarHBondContact N-O 2.94Å; G572-L613 PolarHBondContact O-N 2.94Å
573Y97.1Very high90.3Very high1 Ų132.2 Ų32.20%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-137.6147.1-179.8-53.9-88.1000111.4P536 W554 P556 P557 E584 V585 P588 A590 V610 R611 T612P536-Y573 HydrophobicContact CB-CD1 4.34Å; P536-Y573 HydrophobicContact CB-CE1 4.2Å; P536-Y573 HydrophobicContact CG-CD1 4.22Å; W554-Y573 AromaticContact CE2-CD2 3.95Å; W554-Y573 AromaticContact CE2-CG 3.79Å; W554-Y573 HydrophobicContact CZ2-CD1 4.49Å; W554-Y573 AromaticContact CZ2-CD2 3.69Å; W554-Y573 HydrophobicContact CZ2-CD2 3.69Å; W554-Y573 AromaticContact CZ2-CG 3.68Å; W554-Y573 HydrophobicContact CZ2-CG 3.68Å; W554-Y573 AromaticContact NE1-CD1 3.68Å; W554-Y573 AromaticContact NE1-CD2 3.67Å; W554-Y573 AromaticContact NE1-CE1 3.79Å; W554-Y573 AromaticContact NE1-CE2 3.78Å; W554-Y573 AromaticContact NE1-CG 3.63Å; W554-Y573 AromaticContact NE1-CZ 3.85Å; P556-Y573 VanDerWaalsContact CB-OH 3.31Å; P556-Y573 WeakPolarHBondContact CB-OH 3.49Å; P557-Y573 WeakPolarHBondContact CD-OH 3.48Å; Y573-E584 CarbonylContact O-C 3.48Å; Y573-E584 WeakPolarHBondContact O-CA 3.47Å; Y573-V585 HydrophobicContact CD2-CG1 4.04Å; Y573-V585 HydrophobicContact CG-CG1 4.43Å; Y573-V585 PolarHBondContact N-O 3.33Å; Y573-V585 PolarHBondContact O-N 3.4Å; Y573-P588 VanDerWaalsContact CE2-O 3.26Å; Y573-P588 WeakPolarHBondContact CE2-O 3.33Å; Y573-P588 PolarHBondContact OH-O 2.93Å; Y573-A590 HydrophobicContact CD2-CB 4.12Å; Y573-A590 HydrophobicContact CE2-CB 4.25Å; Y573-A590 VanDerWaalsContact CE2-O 3.22Å; Y573-A590 WeakPolarHBondContact CE2-O 3.34Å; Y573-V610 HydrophobicContact CD1-CG1 4.42Å; Y573-R611 CarbonylContact C-O 3.47Å; Y573-R611 VanDerWaalsContact CA-O 3.24Å; Y573-R611 WeakPolarHBondContact CA-O 3.43Å; Y573-T612 HydrophobicContact CD1-CG2 4.4Å; Y573-T612 HydrophobicContact CE1-CG2 4.02Å
574A96.6Very high90.8Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-118129.9172.800000110K581 A583 V610 R611 L613A574-K581 HydrophobicContact CB-CD 3.69Å; A574-K581 HydrophobicContact CB-CG 4.08Å; A574-A583 WeakPolarHBondContact CA-O 3.45Å; A574-V610 CarbonylContact O-C 3.58Å; A574-V610 VanDerWaalsContact O-CA 3.31Å; A574-V610 WeakPolarHBondContact O-CA 3.36Å; A574-R611 PolarHBondContact N-O 3.48Å; A574-R611 PolarHBondContact O-N 3.39Å; A574-L613 HydrophobicContact CB-CD1 4.14Å; A574-L613 HydrophobicContact CB-CD2 3.89Å; A574-L613 HydrophobicContact CB-CG 4.17Å
575V95.8Very high91.3Very high1 Ų135.7 Ų35.71%0.00620%0.201CC..EExtended strand (participates in β ladder)trans-95.9126.9171.3-175.70000108.3V552 W554 I582 A583 V593 V608 I609 V610V552-V575 HydrophobicContact CB-CG2 4.41Å; V552-V575 HydrophobicContact CG1-CG1 4.26Å; V552-V575 HydrophobicContact CG1-CG2 4.31Å; V552-V575 HydrophobicContact CG2-CG1 4.2Å; W554-V575 HydrophobicContact CH2-CG2 4.41Å; W554-V575 HydrophobicContact CZ3-CG2 3.99Å; V575-I582 HydrophobicContact CB-CG1 4.18Å; V575-I582 HydrophobicContact CG1-CD1 3.96Å; V575-I582 HydrophobicContact CG1-CG1 3.88Å; V575-I582 VanDerWaalsContact O-CG1 3.3Å; V575-I582 WeakPolarHBondContact O-CG1 3.48Å; V575-I582 PolarHBondContact O-N 3.11Å; V575-A583 HydrophobicContact CB-CB 4.21Å; V575-A583 HydrophobicContact CG2-CB 4.43Å; V575-A583 PolarHBondContact N-O 3.38Å; V575-A583 PolarHBondContact O-N 2.97Å; V575-V593 HydrophobicContact CB-CG1 4.46Å; V575-V593 HydrophobicContact CG2-CG1 3.38Å; V575-V608 HydrophobicContact CG1-CB 4.18Å; V575-V608 HydrophobicContact CG1-CG1 4.45Å; V575-I609 WeakPolarHBondContact CA-O 3.42Å; V575-V610 HydrophobicContact CG2-CG1 4.47Å; V575-V610 HydrophobicContact CG2-CG2 4.15Å
576C94.1Very high91.7Very high7 Ų741.4 Ų41.45%0.04723%0.232CC..EExtended strand (participates in β ladder)trans-125.7149.9-177.7-58.10000111.6Q580 V608 I609C576-Q580 CarbonylContact C-O 3.58Å; C576-Q580 WeakPolarHBondContact CA-O 3.25Å; C576-Q580 WeakPolarHBondContact CB-O 3.3Å; C576-V608 WeakPolarHBondContact O-CA 3.42Å; C576-I609 HydrophobicContact CB-CD1 4.04Å; C576-I609 HydrophobicContact CB-CG1 3.87Å; C576-I609 PolarHBondContact N-O 3.06Å; C576-I609 VanDerWaalsContact O-CG1 3.32Å; C576-I609 WeakPolarHBondContact O-CG1 3.46Å; C576-I609 PolarHBondContact O-N 3.01Å
577T92.6Very high92.1Very high3 Ų345.8 Ų45.82%0.01825%0.245CC..EExtended strand (participates in β ladder)trans-144.3143.7168.6-171.30000109.5G579 Q580 I582 L603 A605 E607T577-G579 PolarHBondContact O-N 2.88Å; T577-Q580 PolarHBondContact N-O 3.15Å; T577-Q580 PolarHBondContact O-N 3.06Å; T577-I582 HydrophobicContact CG2-CD1 3.93Å; T577-I582 HydrophobicContact CG2-CG2 3.69Å; T577-L603 HydrophobicContact CG2-CD1 3.82Å; T577-A605 HydrophobicContact CG2-CB 3.65Å; T577-A605 WeakPolarHBondContact OG1-CB 3.4Å; T577-E607 VanDerWaalsContact CB-O 3.3Å; T577-E607 WeakPolarHBondContact CB-O 3.41Å; T577-E607 PolarHBondContact OG1-O 3.08Å
578K87.9Confident92.7Very high126 Ų12646.9 Ų46.955%0.54825%0.25SS..THydrogen-bonded Turntrans48.234.5-178.1-59.8-59-175.7-160.70114Q580 E607K578-Q580 VanDerWaalsContact C-N 3.29Å; K578-Q580 PolarHBondContact O-N 3.21Å; K578-E607 IonicContact NZ-OE1 3.14Å; K578-E607 PolarHBondContact NZ-OE1 3.42Å
579G84Confident93Very high74 Ų7450.5 Ų50.576%0.76327%0.272SS*.THydrogen-bonded Turntrans76.94.7-17800000115.7T577T577-G579 PolarHBondContact O-N 2.88Å
580Q89.8Confident93.3Very high108 Ų10848.6 Ų48.651%0.50526%0.259SS..EExtended strand (participates in β ladder)trans-109.1139.7177.9-63.9-168.8-10.300112.1C576 T577 K578 I582 L603C576-Q580 CarbonylContact C-O 3.58Å; C576-Q580 WeakPolarHBondContact CA-O 3.25Å; C576-Q580 WeakPolarHBondContact CB-O 3.3Å; T577-Q580 PolarHBondContact N-O 3.15Å; T577-Q580 PolarHBondContact O-N 3.06Å; K578-Q580 VanDerWaalsContact C-N 3.29Å; K578-Q580 PolarHBondContact O-N 3.21Å; Q580-I582 PolarHBondContact O-N 3.36Å; Q580-L603 VanDerWaalsContact OE1-CD2 3.24Å
581K92.6Very high93.4Very high101 Ų10150.8 Ų50.844%0.43927%0.271SS..EExtended strand (participates in β ladder)trans-77.6113.1173.6-170.4170.880.2175.80110.3A574 E584A574-K581 HydrophobicContact CB-CD 3.69Å; A574-K581 HydrophobicContact CB-CG 4.08Å; K581-E584 HydrophobicContact CD-CB 4.34Å; K581-E584 WeakPolarHBondContact CE-OE2 3.36Å; K581-E584 IonicContact NZ-OE1 3.33Å; K581-E584 PolarHBondContact NZ-OE1 3.01Å; K581-E584 IonicContact NZ-OE2 3.73Å; K581-E584 PolarHBondContact NZ-OE2 3.41Å
582I93.6Very high93.4Very high4 Ų451.8 Ų51.82%0.02127%0.273CS..EExtended strand (participates in β ladder)trans-99.9-24.5-178.260.5176.3000112.9V575 T577 Q580 V595 R599 I600 L603 V608V575-I582 HydrophobicContact CB-CG1 4.18Å; V575-I582 HydrophobicContact CG1-CD1 3.96Å; V575-I582 HydrophobicContact CG1-CG1 3.88Å; V575-I582 VanDerWaalsContact O-CG1 3.3Å; V575-I582 WeakPolarHBondContact O-CG1 3.48Å; V575-I582 PolarHBondContact O-N 3.11Å; T577-I582 HydrophobicContact CG2-CD1 3.93Å; T577-I582 HydrophobicContact CG2-CG2 3.69Å; Q580-I582 PolarHBondContact O-N 3.36Å; I582-V595 HydrophobicContact CB-CG1 4.42Å; I582-V595 HydrophobicContact CD1-CG1 3.96Å; I582-V595 HydrophobicContact CG1-CG1 4.24Å; I582-R599 PolarHBondContact O-NH1 3.2Å; I582-R599 PolarHBondContact O-NH2 2.98Å; I582-I600 HydrophobicContact CD1-CD1 4.39Å; I582-I600 HydrophobicContact CD1-CG1 4.12Å; I582-L603 HydrophobicContact CG2-CD1 3.74Å; I582-V608 HydrophobicContact CD1-CG1 4.16Å
583A93.9Very high93.4Very high14 Ų1452.8 Ų52.812%0.11628%0.279CS..EExtended strand (participates in β ladder)trans-150.6159.3171.700000110.8A574 V575 V593 V595A574-A583 WeakPolarHBondContact CA-O 3.45Å; V575-A583 HydrophobicContact CB-CB 4.21Å; V575-A583 HydrophobicContact CG2-CB 4.43Å; V575-A583 PolarHBondContact N-O 3.38Å; V575-A583 PolarHBondContact O-N 2.97Å; A583-V593 HydrophobicContact CB-CG1 3.93Å; A583-V593 HydrophobicContact CB-CG2 4.11Å; A583-V595 HydrophobicContact CB-CG2 3.83Å
584E95.4Very high93.2Very high89 Ų8956 Ų5642%0.41630%0.302SS..EExtended strand (participates in β ladder)trans-145.7138.8178.9177.5167.7-128.400109.1Y573 K581 L586 L613Y573-E584 CarbonylContact O-C 3.48Å; Y573-E584 WeakPolarHBondContact O-CA 3.47Å; K581-E584 HydrophobicContact CD-CB 4.34Å; K581-E584 WeakPolarHBondContact CE-OE2 3.36Å; K581-E584 IonicContact NZ-OE1 3.33Å; K581-E584 PolarHBondContact NZ-OE1 3.01Å; K581-E584 IonicContact NZ-OE2 3.73Å; K581-E584 PolarHBondContact NZ-OE2 3.41Å; E584-L586 HydrophobicContact CG-CD2 4.08Å; E584-L586 HydrophobicContact CG-CG 4.39Å; E584-L613 HydrophobicContact CG-CD1 3.98Å; E584-L613 VanDerWaalsContact OE1-CD1 3.23Å; E584-L613 WeakPolarHBondContact OE1-CD1 3.46Å
585V96.1Very high93Very high30 Ų3056.2 Ų56.218%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-131.5115.8176.556.30000108.7W554 G572 Y573 Y587 A590 V593W554-V585 HydrophobicContact CH2-CG1 3.87Å; W554-V585 HydrophobicContact CZ2-CG1 3.77Å; G572-V585 CarbonylContact C-O 3.51Å; G572-V585 WeakPolarHBondContact CA-O 3.49Å; Y573-V585 HydrophobicContact CD2-CG1 4.04Å; Y573-V585 HydrophobicContact CG-CG1 4.43Å; Y573-V585 PolarHBondContact N-O 3.33Å; Y573-V585 PolarHBondContact O-N 3.4Å; V585-Y587 PolarHBondContact O-N 2.93Å; V585-Y587 VanDerWaalsContact O-N 3.16Å; V585-A590 HydrophobicContact CB-CB 4.47Å; V585-A590 HydrophobicContact CG1-CB 3.96Å; V585-A590 HydrophobicContact CG2-CB 3.64Å; V585-V593 HydrophobicContact CB-CG2 4.45Å
586L94.9Very high92.7Very high121 Ų12159.4 Ų59.463%0.63432%0.32SS*.  trans-91.257.3-179.4-60.7179.2000111I571 E584 L613I571-L586 CarbonylContact O-C 3.51Å; I571-L586 VanDerWaalsContact O-CA 3.29Å; I571-L586 WeakPolarHBondContact O-CA 3.48Å; E584-L586 HydrophobicContact CG-CD2 4.08Å; E584-L586 HydrophobicContact CG-CG 4.39Å; L586-L613 HydrophobicContact CD2-CD1 4.32Å
587Y93.4Very high92.3Very high140 Ų14060 Ų6055%0.54932%0.323SS..  trans-140.8113.7177.2-173.5-118.6000109.3I571 V585 T589 A590I571-Y587 PolarHBondContact O-N 2.99Å; V585-Y587 PolarHBondContact O-N 2.93Å; V585-Y587 VanDerWaalsContact O-N 3.16Å; Y587-T589 WeakPolarHBondContact CE1-OG1 3.4Å; Y587-T589 PolarHBondContact O-N 3.33Å; Y587-T589 VanDerWaalsContact O-N 3.14Å; Y587-T589 PolarHBondContact OH-OG1 3.38Å; Y587-A590 HydrophobicContact CD1-CB 3.98Å; Y587-A590 WeakPolarHBondContact O-CB 3.41Å; Y587-A590 PolarHBondContact O-N 3.08Å; Y587-A590 VanDerWaalsContact O-N 3.07Å
588P91.5Very high91.9Very high38 Ų3865 Ų6525%0.24735%0.349CS..THydrogen-bonded Turntrans-61.7-26-169.6-2735.8000114.9L559 V570 Y573L559-P588 HydrophobicContact CD1-CB 4.23Å; L559-P588 WeakPolarHBondContact CD1-O 3.45Å; V570-P588 HydrophobicContact CB-CB 4.29Å; V570-P588 HydrophobicContact CG1-CB 3.96Å; V570-P588 WeakPolarHBondContact O-CG 3.48Å; Y573-P588 VanDerWaalsContact CE2-O 3.26Å; Y573-P588 WeakPolarHBondContact CE2-O 3.33Å; Y573-P588 PolarHBondContact OH-O 2.93Å
589T92.3Very high91.7Very high75 Ų7565.2 Ų65.246%0.4635%0.346SS..THydrogen-bonded Turntrans-102.79.1-179.849.60000113.1L559 Y587 D591L559-T589 HydrophobicContact CD1-CG2 4.17Å; Y587-T589 WeakPolarHBondContact CE1-OG1 3.4Å; Y587-T589 PolarHBondContact O-N 3.33Å; Y587-T589 VanDerWaalsContact O-N 3.14Å; Y587-T589 PolarHBondContact OH-OG1 3.38Å; T589-D591 PolarHBondContact O-N 2.94Å
590A94.3Very high91.8Very high10 Ų1061.8 Ų61.88%0.08331%0.31CS..  trans-60.2132.1174.300000110.7W554 Y573 V585 Y587W554-A590 HydrophobicContact CZ2-CB 4.33Å; W554-A590 PolarHBondContact NE1-O 3.44Å; Y573-A590 HydrophobicContact CD2-CB 4.12Å; Y573-A590 HydrophobicContact CE2-CB 4.25Å; Y573-A590 VanDerWaalsContact CE2-O 3.22Å; Y573-A590 WeakPolarHBondContact CE2-O 3.34Å; V585-A590 HydrophobicContact CB-CB 4.47Å; V585-A590 HydrophobicContact CG1-CB 3.96Å; V585-A590 HydrophobicContact CG2-CB 3.64Å; Y587-A590 HydrophobicContact CD1-CB 3.98Å; Y587-A590 WeakPolarHBondContact O-CB 3.41Å; Y587-A590 PolarHBondContact O-N 3.08Å; Y587-A590 VanDerWaalsContact O-N 3.07Å
591D94.8Very high91.5Very high56 Ų5660.6 Ų60.630%0.29931%0.305SS..  trans-110.8-1.3177.668.5-33.5000112.5R553 W554 P556 T589R553-D591 CarbonylContact C-O 3.6Å; R553-D591 VanDerWaalsContact CA-O 3.3Å; R553-D591 WeakPolarHBondContact CA-O 3.45Å; R553-D591 VanDerWaalsContact CG-O 3.28Å; R553-D591 WeakPolarHBondContact CG-O 3.38Å; R553-D591 IonicContact CZ-OD2 2.81Å; R553-D591 IonicContact NH1-OD2 2.67Å; R553-D591 PolarHBondContact NH1-OD2 3Å; W554-D591 PolarHBondContact N-O 3.04Å; W554-D591 WeakPolarHBondContact O-CA 3.47Å; W554-D591 WeakPolarHBondContact O-CB 3.26Å; W554-D591 VanDerWaalsContact O-O 3.06Å; P556-D591 HydrophobicContact CG-CB 4.47Å; T589-D591 PolarHBondContact O-N 2.94Å
592F94.8Very high91.1Very high89 Ų8959 Ų5939%0.3932%0.316SS..EExtended strand (participates in β ladder)trans-154.9164.4171.673-87.4000113.5Q551 V552 R553 W554Q551-F592 HydrophobicContact CG-CB 4.1Å; Q551-F592 HydrophobicContact CG-CD2 3.88Å; Q551-F592 HydrophobicContact CG-CG 4.27Å; V552-F592 CarbonylContact O-C 3.54Å; V552-F592 WeakPolarHBondContact O-CA 3.42Å; V552-F592 WeakPolarHBondContact O-CB 3.44Å; R553-F592 HydrophobicContact CB-CB 4.18Å; R553-F592 HydrophobicContact CG-CB 4.21Å; W554-F592 VanDerWaalsContact CH2-C 3.4Å
593V95.3Very high90.6Very high22 Ų2261.4 Ų61.413%0.13333%0.329CS..EExtended strand (participates in β ladder)trans-143149.3163.374.30000110.8V552 W554 V575 A583 V585 V595V552-V593 HydrophobicContact CB-CG1 4.48Å; V552-V593 PolarHBondContact N-O 2.87Å; V552-V593 PolarHBondContact O-N 3Å; W554-V593 HydrophobicContact CH2-CB 3.84Å; W554-V593 HydrophobicContact CH2-CG1 3.84Å; W554-V593 HydrophobicContact CZ3-CB 4.21Å; W554-V593 HydrophobicContact CZ3-CG1 3.83Å; V575-V593 HydrophobicContact CB-CG1 4.46Å; V575-V593 HydrophobicContact CG2-CG1 3.38Å; A583-V593 HydrophobicContact CB-CG1 3.93Å; A583-V593 HydrophobicContact CB-CG2 4.11Å; V585-V593 HydrophobicContact CB-CG2 4.45Å; V593-V595 HydrophobicContact CG1-CG2 4.1Å
594S93.4Very high90.2Very high69 Ų6968.7 Ų68.748%0.48336%0.361SS..EExtended strand (participates in β ladder)trans-90.1132.6173.7-66.10000110.7L550L550-S594 CarbonylContact O-C 3.54Å; L550-S594 WeakPolarHBondContact O-CA 3.37Å
595V92.1Very high89.7Confident3 Ų364.5 Ų64.52%0.01834%0.341CS..EExtended strand (participates in β ladder)trans-125.6131.5-179.6-169.70000109.5L550 V552 I582 A583 V593 I600L550-V595 PolarHBondContact N-O 3.38Å; L550-V595 PolarHBondContact O-N 2.96Å; V552-V595 HydrophobicContact CG2-CG2 3.97Å; I582-V595 HydrophobicContact CB-CG1 4.42Å; I582-V595 HydrophobicContact CD1-CG1 3.96Å; I582-V595 HydrophobicContact CG1-CG1 4.24Å; A583-V595 HydrophobicContact CB-CG2 3.83Å; V593-V595 HydrophobicContact CG1-CG2 4.1Å; V595-I600 HydrophobicContact CB-CD1 4.14Å; V595-I600 HydrophobicContact CG1-CD1 3.73Å; V595-I600 HydrophobicContact CG1-CG1 4.04Å
596D88.9Confident89.3Confident68 Ų6869.9 Ų69.936%0.36436%0.359SS..EExtended strand (participates in β ladder)trans-66.7131177.4-171.7-73.4000111.5N598 R599D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 3.5Å; D596-N598 WeakPolarHBondContact OD1-CA 3.32Å; D596-N598 WeakPolarHBondContact OD1-CB 3.1Å; D596-N598 PolarHBondContact OD1-N 3.08Å; D596-N598 PolarHBondContact OD1-ND2 3.34Å; D596-R599 HydrophobicContact CB-CG 4.23Å; D596-R599 PolarHBondContact O-N 3.11Å
597L86.1Confident89.2Confident21 Ų2167.3 Ų67.311%0.1134%0.343CS..Hα-helixtrans-61.6-34.1-178.8-92.1158.9000112.8G548 L550 R599 I600 Q601 L631G548-L597 WeakPolarHBondContact O-CB 3.42Å; G548-L597 PolarHBondContact O-N 3.28Å; L550-L597 HydrophobicContact CD1-CD2 3.42Å; L550-L597 VanDerWaalsContact CD1-CD2 3.42Å; L550-L597 HydrophobicContact CD1-CG 4.04Å; L550-L597 HydrophobicContact CD2-CD2 4.33Å; L550-L597 HydrophobicContact CG-CD1 4.35Å; L550-L597 HydrophobicContact CG-CD2 3.62Å; L550-L597 HydrophobicContact CG-CG 3.77Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.39Å; L597-I600 PolarHBondContact O-N 3Å; L597-Q601 WeakPolarHBondContact O-CB 3.37Å; L597-Q601 WeakPolarHBondContact O-CG 3.2Å; L597-Q601 PolarHBondContact O-N 3.37Å; L597-L631 VanDerWaalsContact CD2-O 3.3Å; L597-L631 WeakPolarHBondContact CD2-O 3.49Å
598N85.7Confident89.2Confident106 Ų10660.7 Ų60.757%0.56732%0.317SS*.Hα-helixtrans-66.2-33.7-179.1-54.7-62.5000111.2D596 I600 G602D596-N598 VanDerWaalsContact C-N 3.29Å; D596-N598 PolarHBondContact O-N 3.5Å; D596-N598 WeakPolarHBondContact OD1-CA 3.32Å; D596-N598 WeakPolarHBondContact OD1-CB 3.1Å; D596-N598 PolarHBondContact OD1-N 3.08Å; D596-N598 PolarHBondContact OD1-ND2 3.34Å; N598-I600 VanDerWaalsContact C-N 3.31Å; N598-I600 PolarHBondContact O-N 3.48Å; N598-G602 PolarHBondContact O-N 3.39Å
599R83.5Confident89.4Confident132 Ų13259.9 Ų59.950%0.49831%0.311SS..Hα-helixtrans-67.9-32.5176.3-66-177.767.9-164.3-4.3112.2I582 D596 L597 L603I582-R599 PolarHBondContact O-NH1 3.2Å; I582-R599 PolarHBondContact O-NH2 2.98Å; D596-R599 HydrophobicContact CB-CG 4.23Å; D596-R599 PolarHBondContact O-N 3.11Å; L597-R599 VanDerWaalsContact C-N 3.28Å; L597-R599 PolarHBondContact O-N 3.39Å; R599-L603 WeakPolarHBondContact O-CD1 3.49Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å
600I85.4Confident89.7Confident1 Ų156.3 Ų56.31%0.00529%0.289CS..Hα-helixtrans-78-44.8177.1-68.1172000110.3L550 I582 V595 L597 N598 G602 L603 E604 A605 I627 L632L550-I600 HydrophobicContact CB-CD1 4.37Å; L550-I600 HydrophobicContact CD1-CD1 3.49Å; L550-I600 VanDerWaalsContact CD1-CD1 3.49Å; I582-I600 HydrophobicContact CD1-CD1 4.39Å; I582-I600 HydrophobicContact CD1-CG1 4.12Å; V595-I600 HydrophobicContact CB-CD1 4.14Å; V595-I600 HydrophobicContact CG1-CD1 3.73Å; V595-I600 HydrophobicContact CG1-CG1 4.04Å; L597-I600 PolarHBondContact O-N 3Å; N598-I600 VanDerWaalsContact C-N 3.31Å; N598-I600 PolarHBondContact O-N 3.48Å; I600-G602 PolarHBondContact O-N 2.94Å; I600-L603 PolarHBondContact O-N 3.5Å; I600-E604 PolarHBondContact O-N 2.98Å; I600-A605 HydrophobicContact CG2-CB 4Å; I600-A605 PolarHBondContact O-N 3.06Å; I600-I627 HydrophobicContact CD1-CD1 4.49Å; I600-I627 HydrophobicContact CG2-CD1 3.47Å; I600-I627 VanDerWaalsContact CG2-CD1 3.47Å; I600-L632 HydrophobicContact CG2-CD2 3.77Å
601Q84.1Confident89.8Confident84 Ų8458.9 Ų58.939%0.39330%0.296SS..Hα-helixtrans-62.1-41.6176.5-74.8175.3-10.200112.1L597 L603 E604 L632L597-Q601 WeakPolarHBondContact O-CB 3.37Å; L597-Q601 WeakPolarHBondContact O-CG 3.2Å; L597-Q601 PolarHBondContact O-N 3.37Å; Q601-L603 PolarHBondContact O-N 3.47Å; Q601-E604 PolarHBondContact O-N 3.33Å; Q601-L632 HydrophobicContact CG-CD2 4.27Å; Q601-L632 PolarHBondContact NE2-O 2.98Å
602G82.6Confident89.8Confident66 Ų6656.2 Ų56.268%0.6828%0.282SS*.THydrogen-bonded Turntrans-64.4-17.7177.400000114.5N598 I600N598-G602 PolarHBondContact O-N 3.39Å; I600-G602 PolarHBondContact O-N 2.94Å
603L84.5Confident89.8Confident55 Ų5552.4 Ų52.429%0.28827%0.266SS..THydrogen-bonded Turntrans-101.42175.4-64.3175.7000113T577 Q580 I582 R599 I600 Q601 A605T577-L603 HydrophobicContact CG2-CD1 3.82Å; Q580-L603 VanDerWaalsContact OE1-CD2 3.24Å; I582-L603 HydrophobicContact CG2-CD1 3.74Å; R599-L603 WeakPolarHBondContact O-CD1 3.49Å; R599-L603 WeakPolarHBondContact O-CG 3.41Å; I600-L603 PolarHBondContact O-N 3.5Å; Q601-L603 PolarHBondContact O-N 3.47Å; L603-A605 HydrophobicContact CB-CB 4.25Å; L603-A605 PolarHBondContact O-N 3.3Å
604E85.3Confident89.7Confident167 Ų16751.8 Ų51.878%0.7826%0.263SS*.THydrogen-bonded Turntrans48.132-171.7-59.2-173.917100112.7I600 Q601I600-E604 PolarHBondContact O-N 2.98Å; Q601-E604 PolarHBondContact O-N 3.33Å
605A84.9Confident89.3Confident1 Ų152.9 Ų52.91%0.00827%0.267CS..  trans-73.9134.3-173.400000111.1T577 I600 L603 I627T577-A605 HydrophobicContact CG2-CB 3.65Å; T577-A605 WeakPolarHBondContact OG1-CB 3.4Å; I600-A605 HydrophobicContact CG2-CB 4Å; I600-A605 PolarHBondContact O-N 3.06Å; L603-A605 HydrophobicContact CB-CB 4.25Å; L603-A605 PolarHBondContact O-N 3.3Å; A605-I627 HydrophobicContact CB-CD1 4.48Å
606R87.8Confident88.9Confident143 Ų14357.7 Ų57.754%0.5429%0.289SS..  trans-115.7-1.4176.5-64.7-176.2-179.2-95.1-5.3113.4I627 H629R606-I627 PolarHBondContact O-N 3.34Å; R606-H629 PolarHBondContact NH1-CE1 3.3Å; R606-H629 VanDerWaalsContact NH1-CE1 3.34Å; R606-H629 PolarHBondContact NH1-ND1 3.36Å
607E91.8Very high88.9Confident67 Ų6756 Ų5631%0.31329%0.288SS..EExtended strand (participates in β ladder)trans-149.1148.8-169.871.1-162147.900109.6T577 K578 V624 A625 M626T577-E607 VanDerWaalsContact CB-O 3.3Å; T577-E607 WeakPolarHBondContact CB-O 3.41Å; T577-E607 PolarHBondContact OG1-O 3.08Å; K578-E607 IonicContact NZ-OE1 3.14Å; K578-E607 PolarHBondContact NZ-OE1 3.42Å; E607-V624 HydrophobicContact CB-CG1 3.59Å; E607-V624 HydrophobicContact CG-CG1 4.22Å; E607-A625 CarbonylContact C-O 3.57Å; E607-A625 WeakPolarHBondContact CA-O 3.37Å; E607-M626 HydrophobicContact CB-SD 4.36Å
608V94.7Very high89.2Confident1 Ų159.4 Ų59.41%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-132.6150.9172.1-60.80000110.1V541 V552 V575 C576 I582 A625 I627V541-V608 HydrophobicContact CG2-CG2 3.4Å; V541-V608 VanDerWaalsContact CG2-CG2 3.4Å; V552-V608 HydrophobicContact CG1-CG2 4.09Å; V552-V608 HydrophobicContact CG2-CG2 4.33Å; V575-V608 HydrophobicContact CG1-CB 4.18Å; V575-V608 HydrophobicContact CG1-CG1 4.45Å; C576-V608 WeakPolarHBondContact O-CA 3.42Å; I582-V608 HydrophobicContact CD1-CG1 4.16Å; V608-A625 HydrophobicContact CG2-CB 3.93Å; V608-A625 PolarHBondContact N-O 2.93Å; V608-A625 PolarHBondContact O-N 2.96Å; V608-I627 HydrophobicContact CG1-CD1 3.85Å; V608-I627 HydrophobicContact CG1-CG1 4.12Å
609I95.9Very high89.6Confident21 Ų2154.7 Ų54.711%0.10828%0.279CS..EExtended strand (participates in β ladder)trans-126.3158.2170.253.4158.8000108.6V575 C576 D621 V624V575-I609 WeakPolarHBondContact CA-O 3.42Å; C576-I609 HydrophobicContact CB-CD1 4.04Å; C576-I609 HydrophobicContact CB-CG1 3.87Å; C576-I609 PolarHBondContact N-O 3.06Å; C576-I609 VanDerWaalsContact O-CG1 3.32Å; C576-I609 WeakPolarHBondContact O-CG1 3.46Å; C576-I609 PolarHBondContact O-N 3.01Å; I609-D621 HydrophobicContact CD1-CB 3.86Å; I609-D621 VanDerWaalsContact CD1-OD1 3.28Å; I609-D621 WeakPolarHBondContact CD1-OD1 3.46Å; I609-D621 WeakPolarHBondContact CD1-OD2 3.34Å; I609-D621 HydrophobicContact CG2-CB 4.49Å; I609-V624 HydrophobicContact CG2-CB 4.37Å; I609-V624 HydrophobicContact CG2-CG2 3.79Å
610V96.9Very high90Very high0 Ų055.2 Ų55.20%029%0.287CS..EExtended strand (participates in β ladder)trans-124.9136.1175.7-169.70000108.7P536 V539 V552 W554 Y573 A574 V575 S622P536-V610 HydrophobicContact CG-CB 3.68Å; P536-V610 HydrophobicContact CG-CG1 3.63Å; V539-V610 HydrophobicContact CG1-CG2 3.61Å; V539-V610 HydrophobicContact CG2-CB 4.29Å; V539-V610 HydrophobicContact CG2-CG2 4.07Å; V552-V610 HydrophobicContact CG1-CG2 3.95Å; W554-V610 HydrophobicContact CD2-CG1 4.05Å; W554-V610 HydrophobicContact CD2-CG2 4.5Å; W554-V610 HydrophobicContact CE3-CG1 4.07Å; W554-V610 HydrophobicContact CE3-CG2 3.94Å; W554-V610 HydrophobicContact CZ3-CG1 4.32Å; W554-V610 HydrophobicContact CZ3-CG2 4.4Å; Y573-V610 HydrophobicContact CD1-CG1 4.42Å; A574-V610 CarbonylContact O-C 3.58Å; A574-V610 VanDerWaalsContact O-CA 3.31Å; A574-V610 WeakPolarHBondContact O-CA 3.36Å; V575-V610 HydrophobicContact CG2-CG1 4.47Å; V575-V610 HydrophobicContact CG2-CG2 4.15Å; V610-S622 PolarHBondContact N-OG 2.93Å; V610-S622 WeakPolarHBondContact O-CB 3.45Å; V610-S622 PolarHBondContact O-N 3.37Å; V610-S622 VanDerWaalsContact O-N 3.15Å; V610-S622 PolarHBondContact O-OG 3.45Å
611R96.6Very high90.4Very high64 Ų6458.9 Ų58.924%0.24231%0.306CS..EExtended strand (participates in β ladder)trans-113.9140.5173.2-64.3-179.9-176.4169.8-2.4109.8Y573 A574 E618 S619 D621Y573-R611 CarbonylContact C-O 3.47Å; Y573-R611 VanDerWaalsContact CA-O 3.24Å; Y573-R611 WeakPolarHBondContact CA-O 3.43Å; A574-R611 PolarHBondContact N-O 3.48Å; A574-R611 PolarHBondContact O-N 3.39Å; R611-E618 VanDerWaalsContact CD-OE2 3.23Å; R611-E618 WeakPolarHBondContact CD-OE2 3.42Å; R611-E618 IonicContact CZ-OE2 2.82Å; R611-E618 IonicContact NE-OE2 3.17Å; R611-E618 IonicContact NH1-OE2 3.75Å; R611-E618 PolarHBondContact NH1-OE2 3.27Å; R611-S619 WeakPolarHBondContact CA-OG 3.43Å; R611-D621 IonicContact CZ-OD1 2.65Å; R611-D621 IonicContact NE-OD1 3.02Å; R611-D621 PolarHBondContact NE-OD1 3.38Å; R611-D621 IonicContact NH2-OD1 3.13Å; R611-D621 PolarHBondContact NH2-OD1 3.3Å; R611-D621 IonicContact NH2-OD2 2.69Å
612T96.2Very high91Very high0 Ų055.1 Ų55.10%029%0.289CS..EExtended strand (participates in β ladder)trans-78.6132.1167.4-51.60000108.8P533 L534 P536 P557 V570 Y573 E618 S619P533-T612 HydrophobicContact CB-CG2 3.74Å; P533-T612 HydrophobicContact CG-CG2 4.1Å; L534-T612 WeakPolarHBondContact O-CB 3.39Å; L534-T612 PolarHBondContact O-OG1 3.3Å; P536-T612 WeakPolarHBondContact CD-OG1 3.33Å; P557-T612 HydrophobicContact CG-CG2 4.24Å; V570-T612 HydrophobicContact CB-CG2 4.33Å; V570-T612 HydrophobicContact CG1-CG2 3.58Å; V570-T612 HydrophobicContact CG2-CG2 3.8Å; Y573-T612 HydrophobicContact CD1-CG2 4.4Å; Y573-T612 HydrophobicContact CE1-CG2 4.02Å; T612-E618 CarbonylContact O-C 3.59Å; T612-E618 WeakPolarHBondContact O-CA 3.32Å; T612-S619 PolarHBondContact N-OG 3.02Å; T612-S619 PolarHBondContact O-N 2.95Å
613L94.3Very high91.5Very high9 Ų956.2 Ų56.25%0.04728%0.284CS..EExtended strand (participates in β ladder)trans-98.9137.4176.4-56.9176.9000109.2V570 I571 G572 A574 E584 L586 E618V570-L613 CarbonylContact C-O 3.53Å; V570-L613 WeakPolarHBondContact CA-O 3.48Å; I571-L613 HydrophobicContact CD1-CB 4.13Å; I571-L613 HydrophobicContact CG1-CB 3.64Å; I571-L613 WeakPolarHBondContact CG1-O 3.38Å; I571-L613 PolarHBondContact N-O 3.32Å; G572-L613 PolarHBondContact N-O 2.94Å; G572-L613 PolarHBondContact O-N 2.94Å; A574-L613 HydrophobicContact CB-CD1 4.14Å; A574-L613 HydrophobicContact CB-CD2 3.89Å; A574-L613 HydrophobicContact CB-CG 4.17Å; E584-L613 HydrophobicContact CG-CD1 3.98Å; E584-L613 VanDerWaalsContact OE1-CD1 3.23Å; E584-L613 WeakPolarHBondContact OE1-CD1 3.46Å; L586-L613 HydrophobicContact CD2-CD1 4.32Å; L613-E618 HydrophobicContact CD2-CG 3.76Å
614S92.8Very high91.8Very high10 Ų1057.5 Ų57.57%0.0729%0.294CS..EExtended strand (participates in β ladder)trans-135.6167.8172.172.70000111.7P533 S569 Q616 G617P533-S614 WeakPolarHBondContact CD-OG 3.14Å; S569-S614 CarbonylContact O-C 3.54Å; S569-S614 WeakPolarHBondContact O-CA 3.49Å; S569-S614 WeakPolarHBondContact O-CB 3.42Å; S614-Q616 PolarHBondContact O-N 3.49Å; S614-Q616 PolarHBondContact OG-N 3.01Å; S614-G617 WeakPolarHBondContact CB-O 3.37Å; S614-G617 PolarHBondContact N-O 3.16Å; S614-G617 PolarHBondContact O-N 2.99Å; S614-G617 PolarHBondContact OG-N 3.43Å; S614-G617 VanDerWaalsContact OG-N 3.11Å; S614-G617 PolarHBondContact OG-O 3.48Å
615T85.4Confident92.2Very high92 Ų9249.9 Ų49.956%0.56426%0.26SS*.THydrogen-bonded Turntrans-66.9-15.5172.353.90000113.2S569 I571S569-T615 PolarHBondContact O-N 3.49Å; I571-T615 HydrophobicContact CG2-CG2 3.65Å
616Q84.6Confident92.5Very high103 Ų10355.3 Ų55.348%0.48129%0.287SS..THydrogen-bonded Turntrans-97.8-6177.6-6673.333.300113.5A530 A568 S614A530-Q616 HydrophobicContact CB-CG 4.31Å; A568-Q616 HydrophobicContact CB-CB 4.25Å; S614-Q616 PolarHBondContact O-N 3.49Å; S614-Q616 PolarHBondContact OG-N 3.01Å
617G86.9Confident92.5Very high34 Ų3448.6 Ų48.635%0.35126%0.261SS..EExtended strand (participates in β ladder)trans136.8-172.1-178.800000114.3S614S614-G617 WeakPolarHBondContact CB-O 3.37Å; S614-G617 PolarHBondContact N-O 3.16Å; S614-G617 PolarHBondContact O-N 2.99Å; S614-G617 PolarHBondContact OG-N 3.43Å; S614-G617 VanDerWaalsContact OG-N 3.11Å; S614-G617 PolarHBondContact OG-O 3.48Å
618E92.6Very high92Very high92 Ų9247.6 Ų47.643%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-95.2152.9179.5-55-173.9-179.500111.6R611 T612 L613R611-E618 VanDerWaalsContact CD-OE2 3.23Å; R611-E618 WeakPolarHBondContact CD-OE2 3.42Å; R611-E618 IonicContact CZ-OE2 2.82Å; R611-E618 IonicContact NE-OE2 3.17Å; R611-E618 IonicContact NH1-OE2 3.75Å; R611-E618 PolarHBondContact NH1-OE2 3.27Å; T612-E618 CarbonylContact O-C 3.59Å; T612-E618 WeakPolarHBondContact O-CA 3.32Å; L613-E618 HydrophobicContact CD2-CG 3.76Å
619S94.1Very high90.9Very high7 Ų753.4 Ų53.45%0.04929%0.288CS..PPolyproline II helixtrans-69.8170.5168.772.10000111.8P533 R611 T612P533-S619 WeakPolarHBondContact O-CA 3.2Å; P533-S619 WeakPolarHBondContact O-CB 3.42Å; R611-S619 WeakPolarHBondContact CA-OG 3.43Å; T612-S619 PolarHBondContact N-OG 3.02Å; T612-S619 PolarHBondContact O-N 2.95Å
620Q92.7Very high89.6Confident142 Ų14258.9 Ų58.966%0.66432%0.317SS*.PPolyproline II helixtrans-59.7167.1159.1-65.5-60.3-43.100111.4P535P535-Q620 WeakPolarHBondContact CB-O 3.46Å
621D94.4Very high88.2Confident79 Ų7960.4 Ų60.442%0.42233%0.325SS..PPolyproline II helixtrans-65.8136.3175.3-65.4-13.1000110.4I609 R611I609-D621 HydrophobicContact CD1-CB 3.86Å; I609-D621 VanDerWaalsContact CD1-OD1 3.28Å; I609-D621 WeakPolarHBondContact CD1-OD1 3.46Å; I609-D621 WeakPolarHBondContact CD1-OD2 3.34Å; I609-D621 HydrophobicContact CG2-CB 4.49Å; R611-D621 IonicContact CZ-OD1 2.65Å; R611-D621 IonicContact NE-OD1 3.02Å; R611-D621 PolarHBondContact NE-OD1 3.38Å; R611-D621 IonicContact NH2-OD1 3.13Å; R611-D621 PolarHBondContact NH2-OD1 3.3Å; R611-D621 IonicContact NH2-OD2 2.69Å
622S95.3Very high86.6Confident5 Ų558.6 Ų58.64%0.03532%0.32CS..PPolyproline II helixtrans-63.3168.2168.269.70000111.6P536 V539 V610 V624P536-S622 WeakPolarHBondContact O-CB 3.33Å; V539-S622 WeakPolarHBondContact CG2-OG 3.45Å; V610-S622 PolarHBondContact N-OG 2.93Å; V610-S622 WeakPolarHBondContact O-CB 3.45Å; V610-S622 PolarHBondContact O-N 3.37Å; V610-S622 VanDerWaalsContact O-N 3.15Å; V610-S622 PolarHBondContact O-OG 3.45Å; S622-V624 PolarHBondContact O-N 3.04Å
623P93.1Very high84.6Confident88 Ų8860.8 Ų60.857%0.57134%0.342SS*.PPolyproline II helixtrans-49.8137.7161.2-25.835.5000111A625P623-A625 PolarHBondContact O-N 3.3Å
624V92.4Very high82Confident82 Ų8265 Ų6550%0.49737%0.373SS..PPolyproline II helixtrans-70.5127.5-177.5-179.50000109.7E607 I609 S622E607-V624 HydrophobicContact CB-CG1 3.59Å; E607-V624 HydrophobicContact CG-CG1 4.22Å; I609-V624 HydrophobicContact CG2-CB 4.37Å; I609-V624 HydrophobicContact CG2-CG2 3.79Å; S622-V624 PolarHBondContact O-N 3.04Å
625A92.5Very high79.6Confident7 Ų770.4 Ų70.46%0.05841%0.407CS..EExtended strand (participates in β ladder)trans-101.4122.3173.700000110.3V539 V541 E607 V608 P623V539-A625 HydrophobicContact CB-CB 4.08Å; V539-A625 HydrophobicContact CG1-CB 3.63Å; V539-A625 WeakPolarHBondContact O-CB 3.43Å; V541-A625 HydrophobicContact CG2-CB 4.09Å; E607-A625 CarbonylContact C-O 3.57Å; E607-A625 WeakPolarHBondContact CA-O 3.37Å; V608-A625 HydrophobicContact CG2-CB 3.93Å; V608-A625 PolarHBondContact N-O 2.93Å; V608-A625 PolarHBondContact O-N 2.96Å; P623-A625 PolarHBondContact O-N 3.3Å
626M90.8Very high77.4Confident116 Ų11676.3 Ų76.357%0.57142%0.419SS*.EExtended strand (participates in β ladder)trans-73.4137.5177.8-67.5-61.7-6600110.7E607 P628E607-M626 HydrophobicContact CB-SD 4.36Å; M626-P628 WeakPolarHBondContact O-CD 3.48Å
627I87.8Confident75.3Confident2 Ų279.7 Ų79.71%0.0144%0.44CS..PPolyproline II helixtrans-84.4117.3173.8-54.2177.2000108V541 L550 I600 A605 R606 V608 H629 L632V541-I627 HydrophobicContact CG1-CG2 4.42Å; V541-I627 HydrophobicContact CG2-CG1 4.44Å; L550-I627 HydrophobicContact CD1-CG2 4Å; I600-I627 HydrophobicContact CD1-CD1 4.49Å; I600-I627 HydrophobicContact CG2-CD1 3.47Å; I600-I627 VanDerWaalsContact CG2-CD1 3.47Å; A605-I627 HydrophobicContact CB-CD1 4.48Å; R606-I627 PolarHBondContact O-N 3.34Å; V608-I627 HydrophobicContact CG1-CD1 3.85Å; V608-I627 HydrophobicContact CG1-CG1 4.12Å; I627-H629 PolarHBondContact O-N 3.01Å; I627-L632 HydrophobicContact CB-CD1 4.24Å; I627-L632 HydrophobicContact CG2-CD1 3.9Å; I627-L632 HydrophobicContact CG2-CD2 4.22Å; I627-L632 HydrophobicContact CG2-CG 3.85Å
628P81.5Confident73Confident46 Ų4682.9 Ų82.930%0.29946%0.457SS..PPolyproline II helixtrans-57.4130.1-179.5-2533.5000112.6M626 N630 L631M626-P628 WeakPolarHBondContact O-CD 3.48Å; P628-N630 WeakPolarHBondContact CB-OD1 3.49Å; P628-N630 PolarHBondContact O-N 3.11Å; P628-L631 HydrophobicContact CB-CD1 3.92Å; P628-L631 HydrophobicContact CB-CG 4.05Å; P628-L631 HydrophobicContact CG-CD1 3.83Å; P628-L631 WeakPolarHBondContact O-CB 3.49Å; P628-L631 PolarHBondContact O-N 2.97Å
629H71.5Confident70.6Confident123 Ų12387.9 Ų87.957%0.56948%0.48SS*.THydrogen-bonded Turntrans-62.3-27.5-174.1-63.7-46.6000114.2R606 I627 L631 L632R606-H629 PolarHBondContact NH1-CE1 3.3Å; R606-H629 VanDerWaalsContact NH1-CE1 3.34Å; R606-H629 PolarHBondContact NH1-ND1 3.36Å; I627-H629 PolarHBondContact O-N 3.01Å; H629-L631 PolarHBondContact O-N 3.06Å; H629-L632 PolarHBondContact O-N 3.03Å
630N69.8Low67.7Low135 Ų13597.6 Ų97.672%0.72252%0.516SS*.THydrogen-bonded Turntrans-65.3-21.2173.857.8-42.8000113P628P628-N630 WeakPolarHBondContact CB-OD1 3.49Å; P628-N630 PolarHBondContact O-N 3.11Å
631L67.2Low64.8Low32 Ų3298.3 Ų98.317%0.16853%0.529CS..THydrogen-bonded Turntrans-90.7-21-179.6-55.7177.6000113.1C543 L550 L597 P628 H629 G633C543-L631 HydrophobicContact CB-CD1 4.5Å; C543-L631 HydrophobicContact CB-CD2 3.72Å; L550-L631 HydrophobicContact CD2-CB 3.92Å; L550-L631 HydrophobicContact CD2-CD1 3.52Å; L550-L631 HydrophobicContact CD2-CG 4.26Å; L597-L631 VanDerWaalsContact CD2-O 3.3Å; L597-L631 WeakPolarHBondContact CD2-O 3.49Å; P628-L631 HydrophobicContact CB-CD1 3.92Å; P628-L631 HydrophobicContact CB-CG 4.05Å; P628-L631 HydrophobicContact CG-CD1 3.83Å; P628-L631 WeakPolarHBondContact O-CB 3.49Å; P628-L631 PolarHBondContact O-N 2.97Å; H629-L631 PolarHBondContact O-N 3.06Å; L631-G633 VanDerWaalsContact C-N 3.34Å
632L63.7Low61.9Low26 Ų2699.2 Ų99.214%0.13654%0.537CS..SBendtrans-81.5-9.8-176.8-78.5162.7000114I600 Q601 I627 H629I600-L632 HydrophobicContact CG2-CD2 3.77Å; Q601-L632 HydrophobicContact CG-CD2 4.27Å; Q601-L632 PolarHBondContact NE2-O 2.98Å; I627-L632 HydrophobicContact CB-CD1 4.24Å; I627-L632 HydrophobicContact CG2-CD1 3.9Å; I627-L632 HydrophobicContact CG2-CD2 4.22Å; I627-L632 HydrophobicContact CG2-CG 3.85Å; H629-L632 PolarHBondContact O-N 3.03Å
633G53.4Low59.1Low46 Ų46103 Ų10347%0.47457%0.569SS.*  trans65.9128.4179.500000113.2L631L631-G633 VanDerWaalsContact C-N 3.34Å
634S40.3Very low56.4Low98 Ų98104.6 Ų104.669%0.68558%0.579SS**  trans-65.9129.2173.1-179.80000110.2R636S634-R636 PolarHBondContact O-N 3.25Å
635P41.7Very low54Low123 Ų123106.4 Ų106.480%0.79959%0.593SS**THydrogen-bonded Turntrans-76.531.3-177.931-34.2000113.6
636R38.6Very low51.3Low216 Ų216112 Ų11282%0.81563%0.629SS**THydrogen-bonded Turntrans-123.320-172.2-70.8-146.4179.2-159.32.1116.8S634S634-R636 PolarHBondContact O-N 3.25Å
637L40.8Very low48.5Very low175 Ų175112 Ų11292%0.91664%0.64SS**SBendtrans-120.439.9175.6-68.7174.7000113.9
638S39.7Very low45.9Very low101 Ų101120 Ų12071%0.70668%0.679SS**SBendtrans-136.254.6167.5500000111.3
639H40.7Very low43.8Very low196 Ų196123.4 Ų123.491%0.90770%0.701SS**SBendtrans-161.2139.6149.4-105.1-68.5000111.3
640R33.1Very low41.8Very low212 Ų212125.7 Ų125.780%0.871%0.712SS**  trans93.578.4166.4-115.9-173.6-171.1172.22.5117.6T642R640-T642 WeakPolarHBondContact CD-OG1 3.48Å; R640-T642 WeakPolarHBondContact CG-OG1 3.42Å
641V33.2Very low40.8Very low156 Ų156124.3 Ų124.395%0.94571%0.71SS**  trans-82.4110.4137.71770000106.3
642T33.8Very low39.2Very low98 Ų98128.9 Ų128.960%0.60174%0.739SS**PPolyproline II helixtrans-97133.9177.4-41.20000108.2R640R640-T642 WeakPolarHBondContact CD-OG1 3.48Å; R640-T642 WeakPolarHBondContact CG-OG1 3.42Å
643A36.5Very low38.4Very low84 Ų84132.4 Ų132.469%0.69476%0.764SS**PPolyproline II helixtrans-60160.6169.800000112.3
644P36Very low37.3Very low122 Ų122138.8 Ų138.879%0.79278%0.781SS**PPolyproline II helixtrans-76.4161.2-173.432.2-33.1000112.8
645P41.5Very low37.7Very low121 Ų121138.1 Ų138.179%0.78678%0.775SS**PPolyproline II helixtrans-93159.7-156.236.7-33.7000113.2
646P36Very low37.4Very low125 Ų125140.4 Ų140.481%0.81277%0.774SS**PPolyproline II helixtrans-100152.6155.333.6-23.1000112.1
647S31.3Very low37.9Very low114 Ų114135 Ų13580%0.79777%0.767SS**PPolyproline II helixtrans-55.4142.5-177.8440000116.5
648M33.3Very low37.5Very low170 Ų170132.7 Ų132.784%0.83776%0.76SS**PPolyproline II helixtrans-72.4157.2161-83.2-73.5-142.100112
649P36.9Very low37.1Very low118 Ų118135.6 Ų135.677%0.76676%0.762SS**  -133145.2116.225.7-8.4000114.8
650H30.7Very low36.6Very low171 Ų171130 Ų13079%0.79275%0.745SS**  trans-43.7175.6164.3-79.5-52.9000117.1
651P48.5Very low36.5Very low106 Ų106127.8 Ų127.869%0.68874%0.744SS**  cis-148.6-173.9-10.130.1-3.7000118.1
652V34Very low36.3Very low128 Ų128126.2 Ų126.278%0.77674%0.735SS**  trans78.2163.1150.8-120.50000121.3
653P46.5Very low36.2Very low100 Ų100130 Ų13065%0.64975%0.745SS**  -132.8175.5-97.745.4-27.8000117.1
654Q30.8Very low37.2Very low181 Ų181131.2 Ų131.285%0.84675%0.746SS**  trans68.5169.6150.2-87.7-167.9-9.100118.7
655P47.2Very low38.2Very low83 Ų83130.3 Ų130.354%0.53974%0.741SS.*  cis-137.1-173.3-47.134.7-15.7000112.6
656H36Very low37.9Very low172 Ų172135.4 Ų135.480%0.79675%0.746SS**  trans98.5151.4148.2-74.2-29.1000121.7
657P49.9Very low38.8Very low103 Ų103134.9 Ų134.967%0.66974%0.742SS**  trans-127.3-147-134.940-19.8000111.8
658V32.1Very low39Very low125 Ų125134.4 Ų134.476%0.75874%0.739SS**  trans87.4143.2164.3-1750000113.9
659H32.1Very low39Very low162 Ų162131.6 Ų131.675%0.7573%0.731SS**  cis173158.2-23.7-149.6-60.2000103
660S29.3Very low38.9Very low80 Ų80136.5 Ų136.556%0.55974%0.736SS**  trans72.3148.4152.88.50000115.8
661Q29.8Very low39.9Very low164 Ų164133.4 Ų133.477%0.76673%0.731SS**  cis-169.7159.233.7-118.2156.64400103.8
662T29.6Very low40Very low124 Ų124133.6 Ų133.676%0.76173%0.732SS**  cis179.9140.545.3-10.60000107.8
663H32.5Very low40Very low176 Ų176134.3 Ų134.382%0.81573%0.732SS**  trans-84.6-170.5150.6-84-86.3000109
664P57.3Low39.6Very low111 Ų111137.7 Ų137.772%0.72174%0.739SS**  -126.4-136.3-61.539.9-20.7000108.6
665P57Low40.4Very low103 Ų103134.3 Ų134.367%0.66973%0.733SS**  cis-132162.6-33.334.1-14.9000116.8
666Y35.5Very low40Very low227 Ų227139.2 Ų139.289%0.8975%0.748SS**  trans29.8172.5146.3-73.2-77.3000124.4
667P53.8Low40.3Very low115 Ų115137 Ų13775%0.74775%0.749SS**  cis-144-172.77.136.1-11.7000119.4
668S36.1Very low39.5Very low103 Ų103141.6 Ų141.672%0.7276%0.762SS**  trans91.8142.5148.3-1430000118.7
669T33Very low39.7Very low111 Ų111142.4 Ų142.468%0.68177%0.766SS**  cis-172.113326.5-25.30000111.3
670Y35.7Very low39.9Very low222 Ų222143.5 Ų143.587%0.87177%0.772SS**  trans71.2157.1139.8-79.8-107.9000127.3
671P51.6Low40.8Very low105 Ų105145.2 Ų145.268%0.68278%0.781SS**  trans-124.2-147.3-152.147.6-31.9000114.5
672P50.5Low41.5Very low110 Ų110146 Ų14671%0.71479%0.79SS**  cis-133.1172.2-36.133.4-12.7000117.3
673N33.5Very low42.2Very low144 Ų144145.5 Ų145.577%0.7779%0.792SS**  trans65.2124.9145.1-79.8-3.9000128.8
674H37.7Very low42.9Very low171 Ų171152.3 Ų152.379%0.79281%0.81SS**  trans76.4163.9136.5-90.8-50.8000123.8
675P48.8Very low42.1Very low110 Ų110154.4 Ų154.471%0.71482%0.815SS**  cis-133.3179.8-47.927.2-5.1000116.7
676Q39Very low41.4Very low185 Ų185157.1 Ų157.186%0.86482%0.822SS**  trans-40.6161.8167-90.5171.8-55.300118.7
677P41.8Very low41.7Very low127 Ų127153.2 Ų153.283%0.82582%0.819SS**  trans-107.7136.7155.533.6-20.7000114.1
678Q32.6Very low41Very low199 Ų199155.5 Ų155.593%0.9382%0.823SS**  trans-109.1140171.2-145.2179.5-6.600107.6
679V36.8Very low41.3Very low141 Ų141158.8 Ų158.886%0.85583%0.829SS**  trans-110.1133.5179.6-176.70000109.4
680Q35.9Very low41.8Very low185 Ų185161.9 Ų161.986%0.86484%0.839SS**  trans-129.8161.5169.8-107.4-165.9-8.800111.1
681P49.4Very low42.3Very low117 Ų117157.6 Ų157.676%0.7684%0.837SS**  trans-95.7168.4-154.238.8-37000114
682L44.2Very low41.6Very low179 Ų179161.7 Ų161.794%0.93785%0.849SS**  trans-125.9131169.9-96.8152.2000110.5
683S42.8Very low40.8Very low115 Ų115166 Ų16680%0.80486%0.86SS**  trans-101.7135.4169.945.70000110.5
684R47.2Very low41.5Very low319 Ų319168 Ų168100%1.20487%0.868SS**  trans-149.80135.9-153.1-179.5-161.6-177.15.6110

Retrieved 684 of 684 residues in 381.8 ms (Link to these results)