A0A5K4FBA7_SCHMA Loading...

SET domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FBA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,182 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
1M43.4Very low77.4Confident232 Ų23295.7 Ų95.7100%1.14351%0.506SS*.  0164.40-71.5171168.700107.4
2M56Low78.8Confident57 Ų5788.1 Ų88.128%0.28147%0.465SS..  trans-68.6140.3157.6-92.9163.3161.600108.3M126 I129M2-M126 HydrophobicContact CE-CE 3.69Å; M2-M126 HydrophobicContact CE-CG 3.86Å; M2-M126 HydrophobicContact CE-SD 3.57Å; M2-M126 VanDerWaalsContact CE-SD 3.57Å; M2-M126 HydrophobicContact CG-CE 3.83Å; M2-M126 HydrophobicContact SD-CE 3.74Å; M2-M126 HydrophobicContact SD-CG 4.08Å; M2-M126 HydrophobicContact SD-SD 4.24Å; M2-I129 HydrophobicContact CE-CD1 3.35Å
3E63.6Low79.8Confident189 Ų18989.2 Ų89.288%0.88347%0.466SS*.  trans-72.6143.6163.9-63.6-170.5142.100108.8N5E3-N5 PolarHBondContact O-N 2.74Å
4I73.1Confident80.8Confident71 Ų7193 Ų9336%0.36448%0.477SS..  trans-75.7111.8-178.5-58.4176.4000107.8V6 E9 K153 F154I4-V6 VanDerWaalsContact C-N 3.35Å; I4-V6 PolarHBondContact O-N 3.23Å; I4-E9 HydrophobicContact CG2-CB 4.2Å; I4-E9 HydrophobicContact CG2-CG 4.49Å; I4-K153 HydrophobicContact CD1-CD 4.31Å; I4-K153 HydrophobicContact CD1-CG 4.43Å; I4-K153 HydrophobicContact CG2-CB 4.41Å; I4-F154 HydrophobicContact CD1-CD1 4.47Å; I4-F154 HydrophobicContact CD1-CE1 3.9Å; I4-F154 HydrophobicContact CG1-CD1 4.31Å; I4-F154 HydrophobicContact CG1-CE1 4.16Å
5N81.6Confident81.6Confident78 Ų7888.2 Ų88.242%0.41746%0.457SS..  trans-67.695.5169.1-179.5-20.5000108.7E3 S7 L8 E9E3-N5 PolarHBondContact O-N 2.74Å; N5-S7 PolarHBondContact O-N 3.29Å; N5-S7 PolarHBondContact OD1-N 2.97Å; N5-L8 HydrophobicContact CB-CB 4.05Å; N5-L8 PolarHBondContact O-N 3.47Å; N5-L8 PolarHBondContact OD1-N 2.93Å; N5-L8 VanDerWaalsContact OD1-N 3.14Å; N5-E9 PolarHBondContact O-N 3.5Å
6V83.6Confident82.4Confident106 Ų10685.6 Ų85.664%0.64244%0.439SS*.Hα-helixtrans-58.2-35.3-174.2-1770000112I4 E9 V10I4-V6 VanDerWaalsContact C-N 3.35Å; I4-V6 PolarHBondContact O-N 3.23Å; V6-E9 PolarHBondContact O-N 3.06Å; V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 3Å
7S86.7Confident83.1Confident85 Ų8583.2 Ų83.259%0.59444%0.435SS*.Hα-helixtrans-67.9-48.6179-1640000111.5N5 E9 V10 E11N5-S7 PolarHBondContact O-N 3.29Å; N5-S7 PolarHBondContact OD1-N 2.97Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.82Å; S7-V10 PolarHBondContact O-N 2.84Å; S7-E11 PolarHBondContact O-N 3.12Å
8L89.1Confident83.6Confident14 Ų1483.4 Ų83.47%0.07344%0.437CS..Hα-helixtrans-62.6-36.9176179.666.1000111.6N5 E11 R12 L138 I140N5-L8 HydrophobicContact CB-CB 4.05Å; N5-L8 PolarHBondContact O-N 3.47Å; N5-L8 PolarHBondContact OD1-N 2.93Å; N5-L8 VanDerWaalsContact OD1-N 3.14Å; L8-E11 PolarHBondContact O-N 3.43Å; L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 2.85Å; L8-L138 HydrophobicContact CD2-CB 3.58Å; L8-L138 HydrophobicContact CD2-CD1 3.9Å; L8-L138 HydrophobicContact CD2-CG 4.41Å; L8-I140 HydrophobicContact CD1-CG1 4.16Å
9E90.6Very high84.1Confident26 Ų2679.7 Ų79.712%0.12142%0.417CS..Hα-helixtrans-72.9-30-179.7-175.155.1-169.700113I4 N5 V6 S7 E11 R12 E13 R16 K153I4-E9 HydrophobicContact CG2-CB 4.2Å; I4-E9 HydrophobicContact CG2-CG 4.49Å; N5-E9 PolarHBondContact O-N 3.5Å; V6-E9 PolarHBondContact O-N 3.06Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.82Å; E9-E11 VanDerWaalsContact C-N 3.33Å; E9-R12 PolarHBondContact O-N 3.44Å; E9-R12 WeakPolarHBondContact OE2-CB 3.47Å; E9-E13 VanDerWaalsContact O-CB 3.31Å; E9-E13 WeakPolarHBondContact O-CB 3.32Å; E9-E13 PolarHBondContact O-N 2.97Å; E9-R16 IonicContact OE1-CZ 3.65Å; E9-R16 IonicContact OE1-NH2 2.66Å; E9-R16 PolarHBondContact OE1-NH2 3.46Å; E9-K153 VanDerWaalsContact CD-CA 3.42Å; E9-K153 HydrophobicContact CG-CB 3.72Å; E9-K153 WeakPolarHBondContact OE1-CB 3.33Å; E9-K153 VanDerWaalsContact OE2-CA 3.25Å; E9-K153 WeakPolarHBondContact OE2-CA 3.44Å; E9-K153 PolarHBondContact OE2-N 3.38Å
10V91.4Very high84.5Confident100 Ų10079.9 Ų79.961%0.60642%0.416SS*.Hα-helixtrans-63.6-40.5168.91680000111V6 S7 K14V6-V10 WeakPolarHBondContact O-CG2 3.34Å; V6-V10 PolarHBondContact O-N 3Å; S7-V10 PolarHBondContact O-N 2.84Å; V10-K14 WeakPolarHBondContact O-CB 3.43Å; V10-K14 PolarHBondContact O-N 3.2Å; V10-K14 VanDerWaalsContact O-N 3.11Å
11E92.2Very high84.8Confident95 Ų9581 Ų8144%0.44442%0.423SS..Hα-helixtrans-66.7-38.5174.5-65.1-174.1150.400112.5S7 L8 E9 A15 I140S7-E11 PolarHBondContact O-N 3.12Å; L8-E11 PolarHBondContact O-N 3.43Å; E9-E11 VanDerWaalsContact C-N 3.33Å; E11-A15 WeakPolarHBondContact O-CB 3.23Å; E11-A15 PolarHBondContact O-N 3.32Å; E11-I140 HydrophobicContact CB-CD1 4.1Å; E11-I140 HydrophobicContact CB-CG1 4.15Å; E11-I140 HydrophobicContact CB-CG2 4.31Å; E11-I140 WeakPolarHBondContact OE2-CD1 3.45Å; E11-I140 WeakPolarHBondContact OE2-CG1 3.49Å
12R94Very high86.9Confident4 Ų473 Ų732%0.01538%0.384CS..Hα-helixtrans-70.7-41.9176.1-76.2-178.2174.5166.93.4113.3L8 E9 K14 A15 R16 D125 P139 I140 I150 D152L8-R12 WeakPolarHBondContact O-CG 3.24Å; L8-R12 PolarHBondContact O-N 2.85Å; E9-R12 PolarHBondContact O-N 3.44Å; E9-R12 WeakPolarHBondContact OE2-CB 3.47Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.38Å; R12-A15 CarbonylContact O-C 3.58Å; R12-A15 PolarHBondContact O-N 2.77Å; R12-R16 WeakPolarHBondContact O-CB 3.36Å; R12-R16 VanDerWaalsContact O-CG 3.3Å; R12-R16 WeakPolarHBondContact O-CG 3.4Å; R12-R16 PolarHBondContact O-N 3.33Å; R12-D125 IonicContact CZ-OD1 3.18Å; R12-D125 IonicContact CZ-OD2 3.84Å; R12-D125 IonicContact NH1-OD1 3.99Å; R12-D125 IonicContact NH1-OD2 2.72Å; R12-D125 PolarHBondContact NH1-OD2 2.97Å; R12-D125 IonicContact NH2-OD1 2.72Å; R12-D125 PolarHBondContact NH2-OD1 2.98Å; R12-D125 IonicContact NH2-OD2 2.71Å; R12-D125 PolarHBondContact NH2-OD2 3.24Å; R12-P139 PolarHBondContact NH2-O 2.91Å; R12-I140 HydrophobicContact CG-CG2 4.1Å; R12-I140 PolarHBondContact NE-O 3Å; R12-I150 HydrophobicContact CB-CG2 4.32Å; R12-I150 HydrophobicContact CG-CG2 4.25Å; R12-D152 PolarHBondContact NH1-O 3.45Å
13E92.5Very high88.4Confident102 Ų10270.5 Ų70.548%0.47737%0.372SS..Hα-helixtrans-59.9-44.5174.7-171.965.6-104.600110.1E9 R16 A17E9-E13 VanDerWaalsContact O-CB 3.31Å; E9-E13 WeakPolarHBondContact O-CB 3.32Å; E9-E13 PolarHBondContact O-N 2.97Å; E13-R16 PolarHBondContact O-N 3.42Å; E13-R16 IonicContact OE1-CZ 3.86Å; E13-R16 IonicContact OE1-NH1 2.88Å; E13-R16 PolarHBondContact OE1-NH1 3.45Å; E13-R16 IonicContact OE1-NH2 2.81Å; E13-R16 IonicContact OE2-CZ 2.83Å; E13-R16 IonicContact OE2-NH1 3.97Å; E13-R16 PolarHBondContact OE2-NH1 3.03Å; E13-R16 IonicContact OE2-NH2 3.63Å; E13-R16 PolarHBondContact OE2-NH2 3.01Å; E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.47Å
14K93.5Very high89.5Confident143 Ų14364 Ų6462%0.62235%0.351SS*.Hα-helixtrans-59.3-49.4171.9-175.1-177.3175.6-175.30111.9V10 R12 R16 A17 D18V10-K14 WeakPolarHBondContact O-CB 3.43Å; V10-K14 PolarHBondContact O-N 3.2Å; V10-K14 VanDerWaalsContact O-N 3.11Å; R12-K14 VanDerWaalsContact C-N 3.31Å; R12-K14 PolarHBondContact O-N 3.38Å; K14-R16 VanDerWaalsContact C-N 3.3Å; K14-R16 PolarHBondContact O-N 3.41Å; K14-A17 WeakPolarHBondContact O-CB 3.42Å; K14-A17 PolarHBondContact O-N 3.1Å; K14-A17 VanDerWaalsContact O-N 3.13Å; K14-D18 PolarHBondContact O-N 2.9Å
15A93.2Very high90.1Very high21 Ų2165.8 Ų65.817%0.17436%0.357CS..Hα-helixtrans-64.2-33.7179.900000112.6E11 R12 Q19 I140 I150E11-A15 WeakPolarHBondContact O-CB 3.23Å; E11-A15 PolarHBondContact O-N 3.32Å; R12-A15 CarbonylContact O-C 3.58Å; R12-A15 PolarHBondContact O-N 2.77Å; A15-Q19 WeakPolarHBondContact O-CB 3.49Å; A15-Q19 PolarHBondContact O-N 3.21Å; A15-I140 HydrophobicContact CB-CG2 3.94Å; A15-I150 VanDerWaalsContact C-CD1 3.45Å; A15-I150 HydrophobicContact CB-CD1 3.86Å; A15-I150 HydrophobicContact CB-CG2 4.38Å; A15-I150 WeakPolarHBondContact O-CD1 3.36Å
16R94.9Very high90Very high46 Ų4663.1 Ų63.117%0.17434%0.343CS..Hα-helixtrans-68-39.7172.4-73.2-171.3-73.990.6-5.9111.1E9 R12 E13 K14 Q19 Q20 I150E9-R16 IonicContact OE1-CZ 3.65Å; E9-R16 IonicContact OE1-NH2 2.66Å; E9-R16 PolarHBondContact OE1-NH2 3.46Å; R12-R16 WeakPolarHBondContact O-CB 3.36Å; R12-R16 VanDerWaalsContact O-CG 3.3Å; R12-R16 WeakPolarHBondContact O-CG 3.4Å; R12-R16 PolarHBondContact O-N 3.33Å; E13-R16 PolarHBondContact O-N 3.42Å; E13-R16 IonicContact OE1-CZ 3.86Å; E13-R16 IonicContact OE1-NH1 2.88Å; E13-R16 PolarHBondContact OE1-NH1 3.45Å; E13-R16 IonicContact OE1-NH2 2.81Å; E13-R16 IonicContact OE2-CZ 2.83Å; E13-R16 IonicContact OE2-NH1 3.97Å; E13-R16 PolarHBondContact OE2-NH1 3.03Å; E13-R16 IonicContact OE2-NH2 3.63Å; E13-R16 PolarHBondContact OE2-NH2 3.01Å; K14-R16 VanDerWaalsContact C-N 3.3Å; K14-R16 PolarHBondContact O-N 3.41Å; R16-Q19 PolarHBondContact O-N 3.42Å; R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.47Å; R16-I150 HydrophobicContact CG-CB 3.98Å; R16-I150 HydrophobicContact CG-CD1 4.35Å; R16-I150 HydrophobicContact CG-CG2 3.64Å
17A93.1Very high89.8Confident45 Ų4562.5 Ų62.537%0.37233%0.333SS..Hα-helixtrans-64.1-45.9172.700000112E13 K14 Q19 Q20 N21E13-A17 WeakPolarHBondContact O-CB 3.35Å; E13-A17 PolarHBondContact O-N 3.47Å; K14-A17 WeakPolarHBondContact O-CB 3.42Å; K14-A17 PolarHBondContact O-N 3.1Å; K14-A17 VanDerWaalsContact O-N 3.13Å; A17-Q19 VanDerWaalsContact C-N 3.27Å; A17-Q19 PolarHBondContact O-N 2.9Å; A17-Q20 PolarHBondContact O-N 3.48Å; A17-Q20 VanDerWaalsContact O-N 3.13Å; A17-N21 VanDerWaalsContact O-CG 3.28Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 3.28Å
18D92.8Very high89.3Confident88 Ų8862.4 Ų62.447%0.47133%0.332SS..Hα-helixtrans-60.5-36.6174.4-70.1-28000111.7K14 N21 L22K14-D18 PolarHBondContact O-N 2.9Å; D18-N21 PolarHBondContact O-N 3.36Å; D18-L22 PolarHBondContact O-N 3.46Å
19Q93.3Very high88.2Confident12 Ų1265 Ų656%0.05635%0.345CS..Hα-helixtrans-67.3-40.6173.1-172.6170.651.500112.5A15 R16 A17 L22 I23 V148 I150 S168A15-Q19 WeakPolarHBondContact O-CB 3.49Å; A15-Q19 PolarHBondContact O-N 3.21Å; R16-Q19 PolarHBondContact O-N 3.42Å; A17-Q19 VanDerWaalsContact C-N 3.27Å; A17-Q19 PolarHBondContact O-N 2.9Å; Q19-L22 PolarHBondContact O-N 3.32Å; Q19-I23 HydrophobicContact CG-CD1 4.28Å; Q19-I23 VanDerWaalsContact O-CG1 3.28Å; Q19-I23 WeakPolarHBondContact O-CG1 3.41Å; Q19-I23 PolarHBondContact O-N 3.12Å; Q19-V148 PolarHBondContact NE2-O 2.96Å; Q19-V148 VanDerWaalsContact NE2-O 3.08Å; Q19-I150 HydrophobicContact CB-CD1 3.95Å; Q19-S168 PolarHBondContact NE2-OG 2.79Å
20Q91.2Very high86.3Confident83 Ų8368.9 Ų68.939%0.38837%0.373SS..Hα-helixtrans-65.6-39.4174-68.4-59.7-31.400111.9R16 A17 L22 I23 A24 N164R16-Q20 WeakPolarHBondContact O-CG 3.44Å; R16-Q20 PolarHBondContact O-N 3.47Å; A17-Q20 PolarHBondContact O-N 3.48Å; A17-Q20 VanDerWaalsContact O-N 3.13Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 2.79Å; Q20-I23 PolarHBondContact O-N 2.93Å; Q20-I23 VanDerWaalsContact O-N 3.17Å; Q20-A24 WeakPolarHBondContact O-CB 3.5Å; Q20-A24 PolarHBondContact O-N 2.58Å; Q20-N164 PolarHBondContact NE2-ND2 3.3Å; Q20-N164 PolarHBondContact NE2-OD1 3.21Å
21N90.6Very high84Confident105 Ų10569.6 Ų69.656%0.56138%0.383SS*.Hα-helixtrans-59.8-40.5173.4-68.6-30.1000111.5A17 D18 H25A17-N21 VanDerWaalsContact O-CG 3.28Å; A17-N21 PolarHBondContact O-N 3.11Å; A17-N21 PolarHBondContact O-ND2 3.28Å; D18-N21 PolarHBondContact O-N 3.36Å; N21-H25 VanDerWaalsContact O-CB 3.3Å; N21-H25 WeakPolarHBondContact O-CB 3.21Å; N21-H25 PolarHBondContact O-N 3.13Å
22L88Confident81.4Confident62 Ų6269.7 Ų69.733%0.32539%0.391SS..Hα-helixtrans-66.5-38.6173.9178.959.4000112.7D18 Q19 Q20 H25 N26D18-L22 PolarHBondContact O-N 3.46Å; Q19-L22 PolarHBondContact O-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.3Å; Q20-L22 PolarHBondContact O-N 2.79Å; L22-H25 PolarHBondContact O-N 3.4Å; L22-N26 WeakPolarHBondContact O-CB 3.25Å; L22-N26 PolarHBondContact O-N 2.94Å; L22-N26 PolarHBondContact O-ND2 3Å; L22-N26 PolarHBondContact O-OD1 3.44Å
23I87.8Confident78.5Confident6 Ų676.9 Ų76.93%0.03143%0.43CS..Hα-helixtrans-64.3-47.6175.7-67.2163.9000110.6Q19 Q20 H25 N26 Q27 N164 L167Q19-I23 HydrophobicContact CG-CD1 4.28Å; Q19-I23 VanDerWaalsContact O-CG1 3.28Å; Q19-I23 WeakPolarHBondContact O-CG1 3.41Å; Q19-I23 PolarHBondContact O-N 3.12Å; Q20-I23 PolarHBondContact O-N 2.93Å; Q20-I23 VanDerWaalsContact O-N 3.17Å; I23-H25 VanDerWaalsContact C-N 3.33Å; I23-H25 PolarHBondContact O-N 3.05Å; I23-N26 PolarHBondContact O-N 2.66Å; I23-Q27 WeakPolarHBondContact O-CG 3.5Å; I23-Q27 PolarHBondContact O-N 3.28Å; I23-N164 HydrophobicContact CD1-CB 4.16Å; I23-L167 HydrophobicContact CD1-CB 3.94Å; I23-L167 HydrophobicContact CG1-CB 3.78Å; I23-L167 HydrophobicContact CG2-CB 4Å; I23-L167 HydrophobicContact CG2-CD1 4.2Å
24A86.7Confident75.7Confident53 Ų5380.8 Ų80.844%0.43845%0.448SS..Hα-helixtrans-61.8-40.6176.300000111.7Q20 Q27 S28Q20-A24 WeakPolarHBondContact O-CB 3.5Å; Q20-A24 PolarHBondContact O-N 2.58Å; A24-Q27 PolarHBondContact O-N 3.16Å; A24-S28 WeakPolarHBondContact O-CB 3.38Å; A24-S28 PolarHBondContact O-N 2.92Å
25H84.7Confident72.8Confident108 Ų10881.8 Ų81.850%0.546%0.455SS..Hα-helixtrans-60.5-49.2173.1-179.3-80.6000111.5N21 L22 I23 Q27 S28 I29N21-H25 VanDerWaalsContact O-CB 3.3Å; N21-H25 WeakPolarHBondContact O-CB 3.21Å; N21-H25 PolarHBondContact O-N 3.13Å; L22-H25 PolarHBondContact O-N 3.4Å; I23-H25 VanDerWaalsContact C-N 3.33Å; I23-H25 PolarHBondContact O-N 3.05Å; H25-Q27 PolarHBondContact O-N 3.12Å; H25-S28 WeakPolarHBondContact CA-OG 3.49Å; H25-S28 PolarHBondContact O-N 3.45Å; H25-S28 VanDerWaalsContact O-N 3.07Å; H25-S28 PolarHBondContact O-OG 2.98Å; H25-I29 WeakPolarHBondContact O-CG1 3.46Å; H25-I29 PolarHBondContact O-N 3.39Å
26N79.5Confident69.9Low22 Ų2286.9 Ų86.912%0.11848%0.484CS..Hα-helixtrans-59.8-31.5177.9-68.2-11.6000112.6L22 I23 L167 P174L22-N26 WeakPolarHBondContact O-CB 3.25Å; L22-N26 PolarHBondContact O-N 2.94Å; L22-N26 PolarHBondContact O-ND2 3Å; L22-N26 PolarHBondContact O-OD1 3.44Å; I23-N26 PolarHBondContact O-N 2.66Å; N26-L167 PolarHBondContact ND2-O 2.95Å; N26-P174 HydrophobicContact CB-CG 3.87Å; N26-P174 WeakPolarHBondContact O-CG 3.32Å
27Q79.8Confident66.8Low92 Ų9291.6 Ų91.643%0.4351%0.511SS..Hα-helixtrans-76-37.8173.4-72.4170.5-21.600112.4I23 A24 H25 I29 P174 N175I23-Q27 WeakPolarHBondContact O-CG 3.5Å; I23-Q27 PolarHBondContact O-N 3.28Å; A24-Q27 PolarHBondContact O-N 3.16Å; H25-Q27 PolarHBondContact O-N 3.12Å; Q27-I29 PolarHBondContact O-N 3.27Å; Q27-P174 HydrophobicContact CB-CG 4.42Å; Q27-P174 HydrophobicContact CG-CB 3.78Å; Q27-P174 HydrophobicContact CG-CG 3.68Å; Q27-N175 WeakPolarHBondContact CA-OD1 3.37Å; Q27-N175 PolarHBondContact O-ND2 2.83Å; Q27-N175 PolarHBondContact O-OD1 2.87Å
28S75.7Confident63.7Low83 Ų8393.9 Ų93.958%0.5853%0.525SS*.Hα-helixtrans-69.2-13.3-177.271.50000114.9A24 H25 P30A24-S28 WeakPolarHBondContact O-CB 3.38Å; A24-S28 PolarHBondContact O-N 2.92Å; H25-S28 WeakPolarHBondContact CA-OG 3.49Å; H25-S28 PolarHBondContact O-N 3.45Å; H25-S28 VanDerWaalsContact O-N 3.07Å; H25-S28 PolarHBondContact O-OG 2.98Å; S28-P30 WeakPolarHBondContact O-CD 3.42Å
29I66.4Low60.6Low68 Ų6896.5 Ų96.535%0.34954%0.544SS..SBendtrans-74.9111.1176.7-61.2165.1000109.4H25 Q27 S31 P32 N175H25-I29 WeakPolarHBondContact O-CG1 3.46Å; H25-I29 PolarHBondContact O-N 3.39Å; Q27-I29 PolarHBondContact O-N 3.27Å; I29-S31 PolarHBondContact O-N 3.34Å; I29-P32 HydrophobicContact CG2-CG 4.21Å; I29-N175 PolarHBondContact O-ND2 3.25Å
30P50.9Low57.4Low109 Ų109100.3 Ų100.371%0.70857%0.572SS**  trans-65.6134.5169.230.2-34000108.6S28 P32S28-P30 WeakPolarHBondContact O-CD 3.42Å; P30-P32 WeakPolarHBondContact O-CD 3.36Å
31S44.1Very low54.4Low115 Ų115103.4 Ų103.480%0.80459%0.591SS**  trans-48.1104.2-168.629.20000112.6I29I29-S31 PolarHBondContact O-N 3.34Å
32P37.4Very low51.4Low96 Ų96106.8 Ų106.862%0.62361%0.607SS**  trans-80.6158.9-173.232.8-32.7000110.3I29 P30I29-P32 HydrophobicContact CG2-CG 4.21Å; P30-P32 WeakPolarHBondContact O-CD 3.36Å
33N33.2Very low48.5Very low155 Ų155108 Ų10883%0.82962%0.621SS**SBendtrans-50.5147.5178.7-72.9-46.4000112.3H35N33-H35 PolarHBondContact O-N 3.29Å
34Q33.7Very low45.7Very low185 Ų185114.7 Ų114.786%0.86466%0.656SS**  trans-42.693.2178.7-66.9174.2-34.600112.9V36Q34-V36 PolarHBondContact O-N 2.93Å
35H32.1Very low42.8Very low164 Ų164120 Ų12076%0.75968%0.677SS**  trans-72.690.7160.1-98-81.3000107.3N33 L37N33-H35 PolarHBondContact O-N 3.29Å; H35-L37 PolarHBondContact O-N 3.43Å
36V31.8Very low40.2Very low128 Ų128119.4 Ų119.478%0.77668%0.681SS**  trans-63.482.1162.9-178.60000106.9Q34 S38Q34-V36 PolarHBondContact O-N 2.93Å; V36-S38 PolarHBondContact O-N 2.91Å
37L30.5Very low38Very low144 Ų144122.6 Ų122.675%0.75470%0.702SS**  trans-64.3117.4171.6-77.4168.2000107.3H35 T39H35-L37 PolarHBondContact O-N 3.43Å; L37-T39 PolarHBondContact O-N 3.16Å
38S27.6Very low35.8Very low94 Ų94125.3 Ų125.366%0.65772%0.718SS**  trans-55122.6-178.148.20000110.5V36 S40V36-S38 PolarHBondContact O-N 2.91Å; S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 3.42Å
39T27Very low34Very low143 Ų143126.3 Ų126.388%0.87771%0.71SS**  trans-73.278.9178.851.10000110.8L37L37-T39 PolarHBondContact O-N 3.16Å
40S27.4Very low33.1Very low92 Ų92124.1 Ų124.164%0.64370%0.704SS**  trans-12834.2-179.763.60000113.1S38S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 3.42Å
41D27.7Very low32.9Very low147 Ų147119.5 Ų119.579%0.78667%0.674SS**  trans-127.374.6168.7-94.6-45000109.6S43D41-S43 PolarHBondContact O-N 3.4Å
42I27.1Very low33.1Very low176 Ų176116 Ų11690%0.90365%0.646SS**  trans-82.174.8171.3-53.8178.7000108
43S27.1Very low33.7Very low87 Ų87115.9 Ų115.961%0.60863%0.633SS**  trans-124.4108.717557.90000111.8D41D41-S43 PolarHBondContact O-N 3.4Å
44L29.8Very low34.4Very low147 Ų147111.8 Ų111.877%0.7761%0.611SS**  trans55.277.9165.3-59.2174.5000116T46L44-T46 HydrophobicContact CB-CG2 4.37Å; L44-T46 HydrophobicContact CD2-CG2 4.33Å; L44-T46 PolarHBondContact O-N 2.92Å
45N26.1Very low35.2Very low165 Ų165105.2 Ų105.288%0.88258%0.581SS**  trans-64.860.4140.3-105.9-24.1000109.9T47N45-T47 VanDerWaalsContact C-N 3.3Å; N45-T47 PolarHBondContact O-N 2.92Å
46T30.6Very low36Very low95 Ų95101.6 Ų101.658%0.58356%0.561SS**  trans-65.798.7160.633.90000106.6L44 L48L44-T46 HydrophobicContact CB-CG2 4.37Å; L44-T46 HydrophobicContact CD2-CG2 4.33Å; L44-T46 PolarHBondContact O-N 2.92Å; T46-L48 PolarHBondContact O-N 2.96Å
47T31.6Very low36.8Very low90 Ų90103.4 Ų103.455%0.55255%0.554SS**  trans-62.985.4169.240.80000108.2N45 Y49N45-T47 VanDerWaalsContact C-N 3.3Å; N45-T47 PolarHBondContact O-N 2.92Å; T47-Y49 VanDerWaalsContact O-CD2 3.28Å; T47-Y49 WeakPolarHBondContact O-CD2 3.14Å; T47-Y49 PolarHBondContact O-N 3.46Å
48L35Very low37.6Very low148 Ų148106.1 Ų106.178%0.77555%0.554SS**  trans-68.175.6171-112.5167.3000107.4T46 G50T46-L48 PolarHBondContact O-N 2.96Å; L48-G50 VanDerWaalsContact C-N 3.28Å; L48-G50 PolarHBondContact O-N 3.21Å
49Y38.1Very low38.4Very low104 Ų104107.9 Ų107.941%0.40855%0.547SS..  trans-55.795.9171-68.6-62.7000107.4T47 W53 N54T47-Y49 VanDerWaalsContact O-CD2 3.28Å; T47-Y49 WeakPolarHBondContact O-CD2 3.14Å; T47-Y49 PolarHBondContact O-N 3.46Å; Y49-W53 AromaticContact CD1-CD2 3.3Å; Y49-W53 HydrophobicContact CD1-CD2 3.3Å; Y49-W53 AromaticContact CD1-CE2 3.39Å; Y49-W53 AromaticContact CD1-CE3 3.49Å; Y49-W53 HydrophobicContact CD1-CE3 3.49Å; Y49-W53 VanDerWaalsContact CD1-CE3 3.49Å; Y49-W53 AromaticContact CD1-CG 3.8Å; Y49-W53 HydrophobicContact CD1-CG 3.8Å; Y49-W53 AromaticContact CD1-CH2 3.77Å; Y49-W53 HydrophobicContact CD1-CH2 3.77Å; Y49-W53 AromaticContact CD1-CZ2 3.66Å; Y49-W53 HydrophobicContact CD1-CZ2 3.66Å; Y49-W53 AromaticContact CD1-CZ3 3.69Å; Y49-W53 HydrophobicContact CD1-CZ3 3.69Å; Y49-W53 AromaticContact CD1-NE1 3.92Å; Y49-W53 HydrophobicContact CD2-CE3 4.02Å; Y49-W53 AromaticContact CD2-CH2 3.94Å; Y49-W53 HydrophobicContact CD2-CH2 3.94Å; Y49-W53 AromaticContact CD2-CZ3 3.6Å; Y49-W53 HydrophobicContact CD2-CZ3 3.6Å; Y49-W53 AromaticContact CE1-CD2 3.93Å; Y49-W53 HydrophobicContact CE1-CD2 3.93Å; Y49-W53 AromaticContact CE1-CE2 3.49Å; Y49-W53 VanDerWaalsContact CE1-CE2 3.49Å; Y49-W53 HydrophobicContact CE1-CE3 4.19Å; Y49-W53 AromaticContact CE1-CH2 3.6Å; Y49-W53 HydrophobicContact CE1-CH2 3.6Å; Y49-W53 AromaticContact CE1-CZ2 3.35Å; Y49-W53 HydrophobicContact CE1-CZ2 3.35Å; Y49-W53 HydrophobicContact CE1-CZ3 4.01Å; Y49-W53 AromaticContact CE2-CH2 3.77Å; Y49-W53 HydrophobicContact CE2-CH2 3.77Å; Y49-W53 HydrophobicContact CE2-CZ2 4.37Å; Y49-W53 AromaticContact CE2-CZ3 3.93Å; Y49-W53 HydrophobicContact CE2-CZ3 3.93Å; Y49-W53 AromaticContact CG-CD2 3.72Å; Y49-W53 HydrophobicContact CG-CD2 3.72Å; Y49-W53 AromaticContact CG-CE3 3.38Å; Y49-W53 HydrophobicContact CG-CE3 3.38Å; Y49-W53 HydrophobicContact CG-CG 4.38Å; Y49-W53 AromaticContact CG-CH2 3.93Å; Y49-W53 HydrophobicContact CG-CH2 3.93Å; Y49-W53 HydrophobicContact CG-CZ2 4.29Å; Y49-W53 AromaticContact CG-CZ3 3.45Å; Y49-W53 HydrophobicContact CG-CZ3 3.45Å; Y49-W53 VanDerWaalsContact CG-CZ3 3.45Å; Y49-W53 AromaticContact CZ-CH2 3.58Å; Y49-W53 AromaticContact CZ-CZ2 3.74Å; Y49-N54 PolarHBondContact O-ND2 2.77Å
50G46.5Very low39.4Very low22 Ų22105.8 Ų105.823%0.22752%0.524CS..  trans-54.4156.9-175.300000110.9L48 L52 W53 N54L48-G50 VanDerWaalsContact C-N 3.28Å; L48-G50 PolarHBondContact O-N 3.21Å; G50-L52 PolarHBondContact O-N 3Å; G50-W53 WeakPolarHBondContact O-CA 3.35Å; G50-W53 PolarHBondContact O-N 3.28Å; G50-N54 PolarHBondContact O-N 3.42Å
51L47.3Very low40.1Very low13 Ų13102.7 Ų102.77%0.06851%0.507CS..Hα-helixtrans-45-39.7-172.7-172.765.2000112.9W53 N54 I55 I196 L207 L208 Y211L51-W53 PolarHBondContact O-N 2.88Å; L51-N54 PolarHBondContact O-N 3.48Å; L51-I55 HydrophobicContact CD1-CD1 4.41Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 WeakPolarHBondContact O-CB 3.29Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 2.98Å; L51-I196 HydrophobicContact CD2-CG2 4.32Å; L51-L207 HydrophobicContact CD1-CB 4.11Å; L51-L207 HydrophobicContact CD1-CD2 4.04Å; L51-L208 HydrophobicContact CD2-CD1 4.13Å; L51-Y211 HydrophobicContact CB-CD1 4.38Å; L51-Y211 HydrophobicContact CB-CD2 3.48Å; L51-Y211 VanDerWaalsContact CB-CD2 3.48Å; L51-Y211 HydrophobicContact CB-CE2 4.17Å; L51-Y211 HydrophobicContact CB-CG 3.63Å; L51-Y211 HydrophobicContact CD2-CD1 4.21Å; L51-Y211 HydrophobicContact CD2-CG 3.98Å; L51-Y211 HydrophobicContact CG-CG 4.47Å
52L47.4Very low40.7Very low42 Ų4299.5 Ų99.522%0.2249%0.492CS..Hα-helixtrans-64.2-32.9176.3-133.577.1000115.4G50 R56 I196G50-L52 PolarHBondContact O-N 3Å; L52-R56 VanDerWaalsContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CD 3.33Å; L52-R56 WeakPolarHBondContact O-CG 3.27Å; L52-R56 PolarHBondContact O-N 2.93Å; L52-I196 HydrophobicContact CD1-CD1 3.78Å; L52-I196 HydrophobicContact CD1-CG1 4.18Å
53W49.9Very low41.2Very low93 Ų9396.6 Ų96.635%0.35248%0.475SS..Hα-helixtrans-73.7-42.3171.8-172.4101.9000110.8Y49 G50 L51 I55 R56 R57Y49-W53 AromaticContact CD1-CD2 3.3Å; Y49-W53 HydrophobicContact CD1-CD2 3.3Å; Y49-W53 AromaticContact CD1-CE2 3.39Å; Y49-W53 AromaticContact CD1-CE3 3.49Å; Y49-W53 HydrophobicContact CD1-CE3 3.49Å; Y49-W53 VanDerWaalsContact CD1-CE3 3.49Å; Y49-W53 AromaticContact CD1-CG 3.8Å; Y49-W53 HydrophobicContact CD1-CG 3.8Å; Y49-W53 AromaticContact CD1-CH2 3.77Å; Y49-W53 HydrophobicContact CD1-CH2 3.77Å; Y49-W53 AromaticContact CD1-CZ2 3.66Å; Y49-W53 HydrophobicContact CD1-CZ2 3.66Å; Y49-W53 AromaticContact CD1-CZ3 3.69Å; Y49-W53 HydrophobicContact CD1-CZ3 3.69Å; Y49-W53 AromaticContact CD1-NE1 3.92Å; Y49-W53 HydrophobicContact CD2-CE3 4.02Å; Y49-W53 AromaticContact CD2-CH2 3.94Å; Y49-W53 HydrophobicContact CD2-CH2 3.94Å; Y49-W53 AromaticContact CD2-CZ3 3.6Å; Y49-W53 HydrophobicContact CD2-CZ3 3.6Å; Y49-W53 AromaticContact CE1-CD2 3.93Å; Y49-W53 HydrophobicContact CE1-CD2 3.93Å; Y49-W53 AromaticContact CE1-CE2 3.49Å; Y49-W53 VanDerWaalsContact CE1-CE2 3.49Å; Y49-W53 HydrophobicContact CE1-CE3 4.19Å; Y49-W53 AromaticContact CE1-CH2 3.6Å; Y49-W53 HydrophobicContact CE1-CH2 3.6Å; Y49-W53 AromaticContact CE1-CZ2 3.35Å; Y49-W53 HydrophobicContact CE1-CZ2 3.35Å; Y49-W53 HydrophobicContact CE1-CZ3 4.01Å; Y49-W53 AromaticContact CE2-CH2 3.77Å; Y49-W53 HydrophobicContact CE2-CH2 3.77Å; Y49-W53 HydrophobicContact CE2-CZ2 4.37Å; Y49-W53 AromaticContact CE2-CZ3 3.93Å; Y49-W53 HydrophobicContact CE2-CZ3 3.93Å; Y49-W53 AromaticContact CG-CD2 3.72Å; Y49-W53 HydrophobicContact CG-CD2 3.72Å; Y49-W53 AromaticContact CG-CE3 3.38Å; Y49-W53 HydrophobicContact CG-CE3 3.38Å; Y49-W53 HydrophobicContact CG-CG 4.38Å; Y49-W53 AromaticContact CG-CH2 3.93Å; Y49-W53 HydrophobicContact CG-CH2 3.93Å; Y49-W53 HydrophobicContact CG-CZ2 4.29Å; Y49-W53 AromaticContact CG-CZ3 3.45Å; Y49-W53 HydrophobicContact CG-CZ3 3.45Å; Y49-W53 VanDerWaalsContact CG-CZ3 3.45Å; Y49-W53 AromaticContact CZ-CH2 3.58Å; Y49-W53 AromaticContact CZ-CZ2 3.74Å; G50-W53 WeakPolarHBondContact O-CA 3.35Å; G50-W53 PolarHBondContact O-N 3.28Å; L51-W53 PolarHBondContact O-N 2.88Å; W53-I55 VanDerWaalsContact C-N 3.34Å; W53-I55 PolarHBondContact O-N 3.48Å; W53-R56 CarbonylContact O-C 3.58Å; W53-R56 PolarHBondContact O-N 2.97Å; W53-R57 HydrophobicContact CD2-CB 4.31Å; W53-R57 HydrophobicContact CE3-CB 3.86Å; W53-R57 HydrophobicContact CE3-CG 4.4Å; W53-R57 HydrophobicContact CH2-CB 4.21Å; W53-R57 HydrophobicContact CH2-CG 3.83Å; W53-R57 HydrophobicContact CZ2-CG 4.26Å; W53-R57 HydrophobicContact CZ3-CB 3.85Å; W53-R57 HydrophobicContact CZ3-CG 3.9Å; W53-R57 WeakPolarHBondContact O-CB 3.31Å; W53-R57 PolarHBondContact O-N 3.47Å
54N47.6Very low41.9Very low69 Ų6999.1 Ų99.137%0.36948%0.481SS..Hα-helixtrans-63.9-38.9176.3-77.6-31000112.2Y49 G50 L51 R58Y49-N54 PolarHBondContact O-ND2 2.77Å; G50-N54 PolarHBondContact O-N 3.42Å; L51-N54 PolarHBondContact O-N 3.48Å; N54-R58 PolarHBondContact O-N 2.99Å
55I50.8Low42.2Very low47 Ų4799 Ų9924%0.24148%0.48CS..Hα-helixtrans-62.2-47.7170.8-71168.6000110.8L51 W53 R58 Y59 L203L51-I55 HydrophobicContact CD1-CD1 4.41Å; L51-I55 HydrophobicContact CG-CD1 3.89Å; L51-I55 WeakPolarHBondContact O-CB 3.29Å; L51-I55 VanDerWaalsContact O-CG1 3.26Å; L51-I55 WeakPolarHBondContact O-CG1 3.38Å; L51-I55 PolarHBondContact O-N 2.98Å; W53-I55 VanDerWaalsContact C-N 3.34Å; W53-I55 PolarHBondContact O-N 3.48Å; I55-R58 PolarHBondContact O-N 3.35Å; I55-Y59 WeakPolarHBondContact O-CB 3.13Å; I55-Y59 PolarHBondContact O-N 3.02Å; I55-L203 HydrophobicContact CD1-CD2 4.47Å
56R49.3Very low42.5Very low88 Ų8893.5 Ų93.533%0.33245%0.45SS..Hα-helixtrans-64.9-40.3177.6-79169.2171.3155.8-5113.2L52 W53 R58 Y59 Y60 C360L52-R56 VanDerWaalsContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CB 3.3Å; L52-R56 WeakPolarHBondContact O-CD 3.33Å; L52-R56 WeakPolarHBondContact O-CG 3.27Å; L52-R56 PolarHBondContact O-N 2.93Å; W53-R56 CarbonylContact O-C 3.58Å; W53-R56 PolarHBondContact O-N 2.97Å; R56-R58 VanDerWaalsContact C-N 3.33Å; R56-Y59 PolarHBondContact O-N 3.34Å; R56-Y60 HydrophobicContact CB-CD2 4.31Å; R56-Y60 HydrophobicContact CB-CE2 4.28Å; R56-Y60 HydrophobicContact CG-CE2 4.47Å; R56-Y60 WeakPolarHBondContact O-CD2 3.26Å; R56-Y60 PolarHBondContact O-N 3.17Å; R56-C360 PolarHBondContact NH2-O 3.31Å
57R49.2Very low42.8Very low165 Ų16594.1 Ų94.162%0.62346%0.458SS*.Hα-helixtrans-67.9-35178.3-161.1-142.5-169.4156.8-0.9110.9W53 G61W53-R57 HydrophobicContact CD2-CB 4.31Å; W53-R57 HydrophobicContact CE3-CB 3.86Å; W53-R57 HydrophobicContact CE3-CG 4.4Å; W53-R57 HydrophobicContact CH2-CB 4.21Å; W53-R57 HydrophobicContact CH2-CG 3.83Å; W53-R57 HydrophobicContact CZ2-CG 4.26Å; W53-R57 HydrophobicContact CZ3-CB 3.85Å; W53-R57 HydrophobicContact CZ3-CG 3.9Å; W53-R57 WeakPolarHBondContact O-CB 3.31Å; W53-R57 PolarHBondContact O-N 3.47Å; R57-G61 WeakPolarHBondContact O-CA 3.13Å; R57-G61 PolarHBondContact O-N 3.25Å
58R47.3Very low43Very low202 Ų20295.3 Ų95.376%0.76247%0.466SS*.Hα-helixtrans-63.2-51.8167.3-81.9-172.8171.8179.7-1.4111.3N54 I55 R56 G61 T62N54-R58 PolarHBondContact O-N 2.99Å; I55-R58 PolarHBondContact O-N 3.35Å; R56-R58 VanDerWaalsContact C-N 3.33Å; R58-G61 PolarHBondContact O-N 3.07Å; R58-T62 PolarHBondContact O-N 3.28Å; R58-T62 PolarHBondContact O-OG1 3.35Å
59Y45Very low42.8Very low130 Ų13094 Ų9451%0.5146%0.459SS..Hα-helixtrans-54-58-179.6-179.1-100.9000112.7I55 R56 G61 T62 E63I55-Y59 WeakPolarHBondContact O-CB 3.13Å; I55-Y59 PolarHBondContact O-N 3.02Å; R56-Y59 PolarHBondContact O-N 3.34Å; Y59-G61 PolarHBondContact O-N 2.93Å; Y59-T62 PolarHBondContact O-N 3.21Å; Y59-T62 PolarHBondContact O-OG1 2.87Å; Y59-E63 PolarHBondContact O-N 3.38Å
60Y46Very low42.5Very low99 Ų9995.6 Ų95.639%0.38848%0.475SS..Hα-helixtrans-69.2-31.7177.8-64.3-60.7000112.8R56 T62 E63 I64R56-Y60 HydrophobicContact CB-CD2 4.31Å; R56-Y60 HydrophobicContact CB-CE2 4.28Å; R56-Y60 HydrophobicContact CG-CE2 4.47Å; R56-Y60 WeakPolarHBondContact O-CD2 3.26Å; R56-Y60 PolarHBondContact O-N 3.17Å; Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 2.87Å; Y60-E63 VanDerWaalsContact CD1-OE2 3.32Å; Y60-E63 WeakPolarHBondContact CD1-OE2 3.47Å; Y60-E63 PolarHBondContact O-N 3.35Å; Y60-I64 PolarHBondContact O-N 2.93Å
61G42.5Very low41.8Very low27 Ų27103 Ų10328%0.27850%0.504SS..Hα-helixtrans-64.8-34174.400000113.1R57 R58 Y59 E63 I64 L65R57-G61 WeakPolarHBondContact O-CA 3.13Å; R57-G61 PolarHBondContact O-N 3.25Å; R58-G61 PolarHBondContact O-N 3.07Å; Y59-G61 PolarHBondContact O-N 2.93Å; G61-E63 VanDerWaalsContact C-N 3.33Å; G61-I64 PolarHBondContact O-N 3.16Å; G61-L65 PolarHBondContact O-N 3.33Å
62T41.3Very low41.1Very low80 Ų80105.3 Ų105.349%0.49152%0.521SS..Hα-helixtrans-72.3-22.4173.438.80000114R58 Y59 Y60 N66R58-T62 PolarHBondContact O-N 3.28Å; R58-T62 PolarHBondContact O-OG1 3.35Å; Y59-T62 PolarHBondContact O-N 3.21Å; Y59-T62 PolarHBondContact O-OG1 2.87Å; Y60-T62 VanDerWaalsContact C-N 3.32Å; Y60-T62 PolarHBondContact O-N 2.87Å; T62-N66 WeakPolarHBondContact O-CB 3.37Å; T62-N66 PolarHBondContact O-ND2 3.13Å
63E37.3Very low40.6Very low116 Ų116107.8 Ų107.854%0.54253%0.534SS..Hα-helixtrans-74.9-37.6173.2-67.4177.4148.400111.5Y59 Y60 G61Y59-E63 PolarHBondContact O-N 3.38Å; Y60-E63 VanDerWaalsContact CD1-OE2 3.32Å; Y60-E63 WeakPolarHBondContact CD1-OE2 3.47Å; Y60-E63 PolarHBondContact O-N 3.35Å; G61-E63 VanDerWaalsContact C-N 3.33Å
64I41.3Very low39.8Very low140 Ų140108.7 Ų108.772%0.71855%0.545SS*.Hα-helixtrans-79.1-30.5-175.9-63.3170.1000112.8Y60 G61Y60-I64 PolarHBondContact O-N 2.93Å; G61-I64 PolarHBondContact O-N 3.16Å
65L36.7Very low39.3Very low143 Ų143113.4 Ų113.475%0.74956%0.563SS**Hα-helixtrans-99.7-5.7-173.3-79.8162.2000116.1G61G61-L65 PolarHBondContact O-N 3.33Å
66N32.9Very low38.4Very low51 Ų51119.2 Ų119.227%0.27358%0.582SS.*  trans-109.434.2-177.4-67.9-80.8000114.2T62 T68 S72T62-N66 WeakPolarHBondContact O-CB 3.37Å; T62-N66 PolarHBondContact O-ND2 3.13Å; N66-T68 PolarHBondContact O-N 3.39Å; N66-S72 PolarHBondContact OD1-OG 2.93Å
67S37Very low37.6Very low107 Ų107122.1 Ų122.175%0.74860%0.596SS**SBendtrans-71.2-4.917757.10000114.9
68T33.9Very low36.9Very low116 Ų116118.5 Ų118.571%0.71259%0.589SS**SBendtrans-134.7-3.7-169.252.70000116.9N66N66-T68 PolarHBondContact O-N 3.39Å
69N31.8Very low36.3Very low119 Ų119113.5 Ų113.564%0.63658%0.577SS**  trans-145.2104.7179.9-101.7-49.7000114.8Q71N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 2.74Å
70N31.5Very low35.8Very low139 Ų139113 Ų11374%0.74358%0.583SS**THydrogen-bonded Turntrans-81.134.5-167.5-103.2-22.1000116
71Q32.4Very low35.3Very low176 Ų176110.2 Ų110.282%0.82258%0.58SS**THydrogen-bonded Turntrans-122.2-11.5-176.5-69.8-170.8-13.300115.9N69N69-Q71 VanDerWaalsContact C-N 3.29Å; N69-Q71 PolarHBondContact O-N 2.74Å
72S32.4Very low34.8Very low62 Ų62113.2 Ų113.243%0.43459%0.59SS.*SBendtrans-80.3-23.8177.258.20000113.7N66 L74N66-S72 PolarHBondContact OD1-OG 2.93Å; S72-L74 PolarHBondContact O-N 2.88Å
73L36.5Very low34.5Very low95 Ų95115.4 Ų115.450%0.49760%0.598SS.*THydrogen-bonded Turntrans-68.6-22.5-171.3-87161.2000115.7
74L32.6Very low34.4Very low111 Ų111115.5 Ų115.558%0.58161%0.606SS**Hα-helixtrans-67-39.8-175.9-92.570.9000112.8S72 W76 K77 L78S72-L74 PolarHBondContact O-N 2.88Å; L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.41Å; L74-K77 PolarHBondContact O-N 2.85Å; L74-L78 HydrophobicContact CB-CD1 4.23Å; L74-L78 PolarHBondContact O-N 3.29Å
75K36.6Very low33.9Very low169 Ų169115.3 Ų115.374%0.73561%0.607SS**Hα-helixtrans-69.8-24.3-159.7-140.7171.6-171.5175.40114.7
76W32.6Very low33.6Very low169 Ų169113.9 Ų113.964%0.6460%0.6SS**Hα-helixtrans-102.7-22.4173.8-72.9101000113.9L74 L79 L203L74-W76 VanDerWaalsContact C-N 3.31Å; L74-W76 PolarHBondContact O-N 3.41Å; W76-L79 HydrophobicContact CE3-CD1 3.98Å; W76-L79 HydrophobicContact CZ3-CD1 4.06Å; W76-L203 HydrophobicContact CH2-CD1 4.33Å
77K32.1Very low33.3Very low148 Ų148119.5 Ų119.564%0.64362%0.624SS**Hα-helixtrans-70.7-36.5169.9-88.7-172174-178.70111.6L74 L80 A81L74-K77 PolarHBondContact O-N 2.85Å; K77-L80 PolarHBondContact O-N 3.36Å; K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.42Å; K77-A81 PolarHBondContact O-N 3.21Å
78L35Very low32.9Very low90 Ų90123.9 Ų123.947%0.47163%0.63SS.*Hα-helixtrans-61.7-53175.6-77.7163.5000112.2L74 L80 A81 D82L74-L78 HydrophobicContact CB-CD1 4.23Å; L74-L78 PolarHBondContact O-N 3.29Å; L78-L80 PolarHBondContact O-N 3.46Å; L78-A81 PolarHBondContact O-N 3.01Å; L78-D82 PolarHBondContact O-N 2.95Å
79L35.2Very low32.7Very low97 Ų97125.4 Ų125.451%0.50863%0.633SS.*Hα-helixtrans-54.8-20.2176.4-78.3169.9000114.9W76 N83W76-L79 HydrophobicContact CE3-CD1 3.98Å; W76-L79 HydrophobicContact CZ3-CD1 4.06Å; L79-N83 PolarHBondContact O-ND2 3.38Å
80L34.4Very low32.5Very low120 Ų120123.9 Ų123.963%0.62863%0.632SS**Hα-helixtrans-101.5-29.6175.2-68.9170.9000113.1K77 L78 V84K77-L80 PolarHBondContact O-N 3.36Å; L78-L80 PolarHBondContact O-N 3.46Å; L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.28Å; L80-V84 PolarHBondContact O-N 2.89Å
81A34.7Very low32.5Very low39 Ų39124.2 Ų124.232%0.32264%0.639SS.*Hα-helixtrans-72.8-39.1176.900000112.1K77 L78 N83 V84 N85K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.42Å; K77-A81 PolarHBondContact O-N 3.21Å; L78-A81 PolarHBondContact O-N 3.01Å; A81-N83 PolarHBondContact O-N 2.92Å; A81-V84 PolarHBondContact O-N 3.11Å; A81-N85 PolarHBondContact O-N 3.42Å
82D32.7Very low32.3Very low91 Ų91119 Ų11949%0.48762%0.622SS.*Hα-helixtrans-64.4-26.7177.6-61.7-28.4000111.6L78 N86L78-D82 PolarHBondContact O-N 2.95Å; D82-N86 PolarHBondContact O-ND2 3.16Å
83N35.8Very low32.6Very low125 Ų125121.3 Ų121.367%0.66864%0.638SS**Hα-helixtrans-87.5-5.2172.4-82.9-47.7000114.6L79 A81L79-N83 PolarHBondContact O-ND2 3.38Å; A81-N83 PolarHBondContact O-N 2.92Å
84V33.5Very low32.8Very low118 Ų118121.8 Ų121.872%0.71565%0.645SS**Hα-helixtrans-107.3-30.3177.91680000112L80 A81L80-V84 VanDerWaalsContact O-CG2 3.28Å; L80-V84 WeakPolarHBondContact O-CG2 3.28Å; L80-V84 PolarHBondContact O-N 2.89Å; A81-V84 PolarHBondContact O-N 3.11Å
85N31.6Very low33.6Very low137 Ų137122.3 Ų122.373%0.73366%0.655SS**Hα-helixtrans-85.7-13.7174.6-74.7-20.4000113.5A81 Q87A81-N85 PolarHBondContact O-N 3.42Å; N85-Q87 PolarHBondContact O-N 3.5Å; N85-Q87 VanDerWaalsContact O-N 3.16Å
86N29.9Very low34.4Very low112 Ų112118.3 Ų118.360%0.59964%0.641SS**SBendtrans-70114.1171.7-94.8-54.4000110.9D82D82-N86 PolarHBondContact O-ND2 3.16Å
87Q27.2Very low35.8Very low169 Ų169116.9 Ų116.979%0.7964%0.641SS**  trans-5.9149.9164.2-55.9179.11.300118.5N85 L89N85-Q87 PolarHBondContact O-N 3.5Å; N85-Q87 VanDerWaalsContact O-N 3.16Å; Q87-L89 PolarHBondContact O-N 3.13Å
88K28.4Very low37.9Very low200 Ų200111 Ų11187%0.8762%0.616SS**  trans-24.898.3165-69.1174.9179.2172.30112.4S90K88-S90 PolarHBondContact O-N 3.49Å
89L30.3Very low39.8Very low147 Ų147107.5 Ų107.577%0.7760%0.599SS**  trans-66.888.2166.4-93.9154.5000108.1Q87Q87-L89 PolarHBondContact O-N 3.13Å
90S26.6Very low41.9Very low88 Ų88110.4 Ų110.462%0.61561%0.608SS**  trans-49.9154.6147.4510000108.7K88 S92K88-S90 PolarHBondContact O-N 3.49Å; S90-S92 PolarHBondContact O-N 3.28Å
91V32.8Very low44.3Very low146 Ų146107 Ų10789%0.88559%0.587SS**  trans-77.368.8-179.7-171.90000109.3
92S27.8Very low46.8Very low66 Ų66105.3 Ų105.346%0.46257%0.572SS.*  trans-78.2124.3164.852.40000108.3S90 T94S90-S92 PolarHBondContact O-N 3.28Å; S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.91Å
93S37.7Very low49.4Very low111 Ų111104.7 Ų104.778%0.77657%0.565SS**  trans-80.570.4-172.754.10000111.5
94T40.8Very low51.6Low105 Ų10599.9 Ų99.964%0.64454%0.539SS*.  trans-66.4127.9170.342.20000110S92 L96S92-T94 VanDerWaalsContact C-N 3.28Å; S92-T94 PolarHBondContact O-N 2.91Å; T94-L96 PolarHBondContact O-N 3.5Å
95P49.3Very low53.6Low121 Ų12198.3 Ų98.379%0.78653%0.527SS*.  trans-70.2117.9-174.326.7-33.6000110.9H97P95-H97 PolarHBondContact O-N 3.21Å
96L53.4Low54.9Low86 Ų8696.9 Ų96.945%0.4552%0.519SS..  trans-64.4113.6-176.5-66.9172000111.7T94 L98 L198T94-L96 PolarHBondContact O-N 3.5Å; L96-L98 PolarHBondContact O-N 2.62Å; L96-L198 HydrophobicContact CB-CD2 3.62Å; L96-L198 HydrophobicContact CD1-CD2 3.87Å; L96-L198 HydrophobicContact CD2-CD2 4.19Å; L96-L198 HydrophobicContact CG-CD2 4.09Å
97H63.5Low56.1Low138 Ų13898.8 Ų98.864%0.63953%0.529SS*.  trans-86.878.2-167.1-159.8-56.3000113.6P95 S201P95-H97 PolarHBondContact O-N 3.21Å; H97-S201 VanDerWaalsContact O-CB 3.31Å; H97-S201 WeakPolarHBondContact O-CB 3.43Å
98L74.5Confident57.4Low24 Ų2492 Ų9213%0.12650%0.499CS..  trans-63.2158.5174.3-69173.5000113.4L96 L102 L104 L120 A197 L198L96-L98 PolarHBondContact O-N 2.62Å; L98-L102 WeakPolarHBondContact CB-O 3.34Å; L98-L102 HydrophobicContact CD2-CD2 4.32Å; L98-L104 HydrophobicContact CD1-CB 4.06Å; L98-L120 HydrophobicContact CD1-CD2 3.95Å; L98-A197 HydrophobicContact CD2-CB 3.81Å; L98-L198 HydrophobicContact CD2-CD2 3.8Å; L98-L198 HydrophobicContact CD2-CG 4.24Å; L98-L198 HydrophobicContact CG-CD2 4.35Å
99P76Confident58.5Low17 Ų1788.8 Ų88.811%0.1148%0.483CS..  trans-49.8140.7167-26.833.7000112.2Y101 L102 A197 L208P99-Y101 PolarHBondContact O-N 3.07Å; P99-L102 HydrophobicContact CB-CB 4.25Å; P99-L102 PolarHBondContact O-N 3.09Å; P99-L102 VanDerWaalsContact O-O 3.08Å; P99-A197 HydrophobicContact CG-CB 4.48Å; P99-L208 HydrophobicContact CG-CD2 3.89Å; P99-L208 HydrophobicContact CG-CG 3.99Å
100K78.3Confident59.7Low158 Ų15888.9 Ų88.969%0.68748%0.484SS*.THydrogen-bonded Turntrans-44.6-42-168.4-73.6-172.3175.2-174.80115.3K103K100-K103 WeakPolarHBondContact O-CE 3.48Å; K100-K103 PolarHBondContact O-NZ 3.18Å
101Y85.6Confident61.8Low49 Ų4992.7 Ų92.719%0.19249%0.489CS..THydrogen-bonded Turntrans-99.5-2.8-175.1-48-65.7000114.7P99 W122 L123 M126 K127 M130P99-Y101 PolarHBondContact O-N 3.07Å; Y101-W122 CarbonylContact O-C 3.59Å; Y101-W122 VanDerWaalsContact O-CA 3.3Å; Y101-W122 WeakPolarHBondContact O-CA 3.44Å; Y101-L123 PolarHBondContact O-N 2.88Å; Y101-M126 HydrophobicContact CD1-CB 4.47Å; Y101-K127 HydrophobicContact CD1-CB 3.83Å; Y101-K127 HydrophobicContact CD2-CB 3.85Å; Y101-K127 HydrophobicContact CD2-CD 3.85Å; Y101-K127 HydrophobicContact CD2-CG 3.75Å; Y101-K127 HydrophobicContact CE1-CB 4.14Å; Y101-K127 HydrophobicContact CE2-CB 4.13Å; Y101-K127 HydrophobicContact CE2-CD 4.27Å; Y101-K127 HydrophobicContact CE2-CG 3.82Å; Y101-K127 HydrophobicContact CG-CB 3.69Å; Y101-K127 HydrophobicContact CG-CD 4.39Å; Y101-K127 HydrophobicContact CG-CG 4.13Å; Y101-M130 HydrophobicContact CE1-CB 4.3Å; Y101-M130 HydrophobicContact CE1-CG 4.16Å; Y101-M130 WeakPolarHBondContact OH-CB 3.34Å
102L88Confident64.2Low3 Ų388.6 Ų88.62%0.01646%0.458CS..EExtended strand (participates in β ladder)trans-96.7122.4171.117863.3000108.1L98 P99 L120 W122 A197 C212L98-L102 WeakPolarHBondContact CB-O 3.34Å; L98-L102 HydrophobicContact CD2-CD2 4.32Å; P99-L102 HydrophobicContact CB-CB 4.25Å; P99-L102 PolarHBondContact O-N 3.09Å; P99-L102 VanDerWaalsContact O-O 3.08Å; L102-L120 HydrophobicContact CD1-CB 4.22Å; L102-L120 HydrophobicContact CD1-CD2 4.14Å; L102-L120 HydrophobicContact CG-CD2 4.21Å; L102-W122 HydrophobicContact CD1-CD2 4.41Å; L102-W122 HydrophobicContact CD1-CG 4.46Å; L102-A197 HydrophobicContact CD2-CB 4.25Å; L102-C212 HydrophobicContact CD2-CB 4.15Å
103K85.9Confident67.1Low78 Ų7886.2 Ų86.234%0.33944%0.442SS..EExtended strand (participates in β ladder)trans-123.5153.9-177.4-63.2-58.7179.2-163.50111.3K100 L120 Y121 L123K100-K103 WeakPolarHBondContact O-CE 3.48Å; K100-K103 PolarHBondContact O-NZ 3.18Å; K103-L120 WeakPolarHBondContact O-CA 3.44Å; K103-L120 WeakPolarHBondContact O-CD2 3.44Å; K103-Y121 HydrophobicContact CB-CD1 4.28Å; K103-Y121 HydrophobicContact CB-CD2 4.39Å; K103-Y121 HydrophobicContact CB-CE1 3.71Å; K103-Y121 HydrophobicContact CB-CE2 3.84Å; K103-Y121 VanDerWaalsContact CB-CZ 3.45Å; K103-Y121 HydrophobicContact CG-CE2 4.44Å; K103-Y121 PolarHBondContact N-O 3.38Å; K103-Y121 WeakPolarHBondContact O-CD1 3.35Å; K103-Y121 PolarHBondContact O-N 3.44Å; K103-L123 HydrophobicContact CD-CD1 4.4Å; K103-L123 HydrophobicContact CG-CD1 3.7Å; K103-L123 HydrophobicContact CG-CG 3.89Å
104L82Confident69.5Low24 Ų2481.2 Ų81.213%0.12641%0.406CS..EExtended strand (participates in β ladder)trans-109.7143.5171.9-171.672.4000107.9L98 T108 W112 K119 L120L98-L104 HydrophobicContact CD1-CB 4.06Å; L104-T108 WeakPolarHBondContact CD2-OG1 3.24Å; L104-T108 VanDerWaalsContact CG-OG1 3.26Å; L104-T108 WeakPolarHBondContact CG-OG1 3.43Å; L104-W112 HydrophobicContact CD1-CE3 4.38Å; L104-W112 HydrophobicContact CD1-CZ3 4.09Å; L104-K119 WeakPolarHBondContact CA-O 3.39Å; L104-K119 HydrophobicContact CD1-CB 4.19Å; L104-L120 HydrophobicContact CB-CD2 4.1Å; L104-L120 HydrophobicContact CD1-CD2 3.76Å; L104-L120 HydrophobicContact CD1-CG 4.1Å
105L75.1Confident71.6Confident85 Ų8581.4 Ų81.445%0.44540%0.4SS..  trans-70.3134.8175.2-159.771000110.8D107 T108 K119 Y121L105-D107 PolarHBondContact O-N 3.35Å; L105-T108 PolarHBondContact O-N 3.42Å; L105-T108 PolarHBondContact O-OG1 3.09Å; L105-K119 HydrophobicContact CB-CB 4.07Å; L105-K119 PolarHBondContact N-O 3.29Å; L105-Y121 HydrophobicContact CD1-CE1 4.42Å
106N59.4Low73.4Confident108 Ų10876.8 Ų76.858%0.57837%0.369SS*.THydrogen-bonded Turntrans-58.5-14.6-163-77.1-5.8000116.6Y109N106-Y109 HydrophobicContact CB-CE2 4.11Å; N106-Y109 WeakPolarHBondContact O-CD2 3.42Å; N106-Y109 WeakPolarHBondContact O-CE2 3.46Å; N106-Y109 PolarHBondContact OD1-OH 2.86Å
107D54.9Low75.1Confident152 Ų15272.7 Ų72.781%0.81335%0.348SS*.THydrogen-bonded Turntrans-90.21.5-175.7-52.7-48.6000114L105L105-D107 PolarHBondContact O-N 3.35Å
108T54.9Low76.4Confident26 Ų2668.2 Ų68.216%0.1633%0.328CS..  trans-109.84-170.452.50000116.6L104 L105 N110 K111 T116 K119L104-T108 WeakPolarHBondContact CD2-OG1 3.24Å; L104-T108 VanDerWaalsContact CG-OG1 3.26Å; L104-T108 WeakPolarHBondContact CG-OG1 3.43Å; L105-T108 PolarHBondContact O-N 3.42Å; L105-T108 PolarHBondContact O-OG1 3.09Å; T108-N110 PolarHBondContact O-N 2.98Å; T108-K111 PolarHBondContact O-N 2.99Å; T108-T116 HydrophobicContact CG2-CG2 3.82Å; T108-K119 HydrophobicContact CG2-CB 4.39Å; T108-K119 HydrophobicContact CG2-CG 3.94Å
109Y51Low77Confident132 Ų13270.6 Ų70.652%0.51834%0.338SS..THydrogen-bonded Turntrans-52-29.3-172-69.4-63.2000116N106N106-Y109 HydrophobicContact CB-CE2 4.11Å; N106-Y109 WeakPolarHBondContact O-CD2 3.42Å; N106-Y109 WeakPolarHBondContact O-CE2 3.46Å; N106-Y109 PolarHBondContact OD1-OH 2.86Å
110N55.3Low77.7Confident149 Ų14970 Ų7080%0.79733%0.333SS*.THydrogen-bonded Turntrans-88.7-11.4-172.4-69.4-16.4000115.6T108T108-N110 PolarHBondContact O-N 2.98Å
111K71Confident78.4Confident168 Ų16865.4 Ų65.473%0.7331%0.312SS*.  trans-149.691.3179.1-75.1-168.8178.6177.20113.5T108 T116T108-K111 PolarHBondContact O-N 2.99Å; K111-T116 PolarHBondContact O-OG1 3.17Å
112W84.6Confident78.7Confident61 Ų6163.7 Ų63.723%0.23131%0.305CS..  trans-71.4125.1164.7179.8-115.7000111.2L104 A117 L120 W191 T195 L198L104-W112 HydrophobicContact CD1-CE3 4.38Å; L104-W112 HydrophobicContact CD1-CZ3 4.09Å; W112-A117 HydrophobicContact CH2-CB 4.1Å; W112-L120 HydrophobicContact CH2-CD1 3.46Å; W112-L120 VanDerWaalsContact CH2-CD1 3.46Å; W112-L120 HydrophobicContact CH2-CG 3.9Å; W112-L120 HydrophobicContact CZ2-CD1 4.26Å; W112-L120 HydrophobicContact CZ3-CD1 4.04Å; W112-L120 HydrophobicContact CZ3-CG 3.98Å; W112-W191 AromaticContact CE2-CD1 3.75Å; W112-W191 AromaticContact CZ2-CD1 3.88Å; W112-W191 WeakPolarHBondContact CZ2-O 3.4Å; W112-W191 AromaticContact NE1-CD1 3.6Å; W112-W191 AromaticContact NE1-NE1 3.83Å; W112-T195 PolarHBondContact NE1-OG1 3.39Å; W112-L198 HydrophobicContact CB-CD1 4.2Å; W112-L198 HydrophobicContact CD2-CD1 3.92Å; W112-L198 HydrophobicContact CG-CD1 3.65Å
113S87.1Confident78.9Confident16 Ų1665.4 Ų65.411%0.11231%0.314CS..SBendtrans-159.9172.2-173.869.90000111.4Q115 T116 A117S113-Q115 PolarHBondContact O-N 3.03Å; S113-Q115 PolarHBondContact OG-N 3.22Å; S113-T116 PolarHBondContact N-OG1 3.25Å; S113-T116 PolarHBondContact O-N 3.07Å; S113-T116 VanDerWaalsContact O-N 3.16Å; S113-T116 PolarHBondContact O-OG1 2.86Å; S113-T116 PolarHBondContact OG-N 3.49Å; S113-T116 PolarHBondContact OG-OG1 2.79Å; S113-A117 PolarHBondContact O-N 2.81Å
114L88.7Confident79Confident5 Ų562.3 Ų62.33%0.02630%0.302CS..THydrogen-bonded Turntrans-60.3-29.7173.1-175.960.3000112.5A117 L187 Q188 W191 Q275L114-A117 WeakPolarHBondContact O-CB 3.47Å; L114-L187 HydrophobicContact CD1-CB 3.78Å; L114-L187 VanDerWaalsContact CD1-O 3.27Å; L114-L187 WeakPolarHBondContact CD1-O 3.27Å; L114-L187 HydrophobicContact CG-CB 4.5Å; L114-Q188 HydrophobicContact CD1-CG 4.36Å; L114-W191 HydrophobicContact CB-CB 4.49Å; L114-W191 HydrophobicContact CB-CD2 3.88Å; L114-W191 HydrophobicContact CB-CE3 3.97Å; L114-W191 HydrophobicContact CB-CG 4.12Å; L114-W191 HydrophobicContact CD1-CB 3.65Å; L114-W191 HydrophobicContact CD1-CD2 4.24Å; L114-W191 HydrophobicContact CD1-CE3 4.03Å; L114-W191 HydrophobicContact CD1-CG 4.13Å; L114-W191 HydrophobicContact CG-CE3 4.4Å; L114-Q275 VanDerWaalsContact CD2-CD 3.45Å; L114-Q275 HydrophobicContact CD2-CG 4.12Å
115Q84.6Confident79.4Confident110 Ų11061.4 Ų61.451%0.51430%0.297SS..THydrogen-bonded Turntrans-77.1-20.7178.6-66.2-179-41.500113.8S113S113-Q115 PolarHBondContact O-N 3.03Å; S113-Q115 PolarHBondContact OG-N 3.22Å
116T87.4Confident80Confident23 Ų2360.8 Ų60.814%0.14129%0.292CS..THydrogen-bonded Turntrans-1000.6177.248.60000112.8T108 K111 S113 D118 K119T108-T116 HydrophobicContact CG2-CG2 3.82Å; K111-T116 PolarHBondContact O-OG1 3.17Å; S113-T116 PolarHBondContact N-OG1 3.25Å; S113-T116 PolarHBondContact O-N 3.07Å; S113-T116 VanDerWaalsContact O-N 3.16Å; S113-T116 PolarHBondContact O-OG1 2.86Å; S113-T116 PolarHBondContact OG-N 3.49Å; S113-T116 PolarHBondContact OG-OG1 2.79Å; T116-D118 PolarHBondContact O-N 3.49Å; T116-K119 WeakPolarHBondContact O-CB 3.24Å; T116-K119 PolarHBondContact O-N 3.43Å
117A90.2Very high81.1Confident0 Ų058.7 Ų58.70%028%0.278CS..G310 helixtrans-67.4-20.3-177.900000114.2W112 S113 L114 K119 L187 M190 W191W112-A117 HydrophobicContact CH2-CB 4.1Å; S113-A117 PolarHBondContact O-N 2.81Å; L114-A117 WeakPolarHBondContact O-CB 3.47Å; A117-K119 VanDerWaalsContact C-N 3.29Å; A117-L187 HydrophobicContact CB-CD2 4.19Å; A117-M190 HydrophobicContact CB-CB 4.02Å; A117-M190 WeakPolarHBondContact O-CB 3.33Å; A117-W191 HydrophobicContact CB-CB 3.92Å
118D89.1Confident82.6Confident44 Ų4454.7 Ų54.724%0.23525%0.252CS..G310 helixtrans-78.7-9.4172.675.2-27.3000113.9T116 L120 K159 L187T116-D118 PolarHBondContact O-N 3.49Å; D118-L120 VanDerWaalsContact C-N 3.3Å; D118-K159 HydrophobicContact CB-CD 3.88Å; D118-L187 HydrophobicContact CB-CD2 3.85Å
119K89Confident84Confident75 Ų7553.8 Ų53.833%0.32625%0.247SC..G310 helixtrans-87.71.8177.4-48.9-48.3177.7-141.30113.2L104 L105 T108 T116 A117L104-K119 WeakPolarHBondContact CA-O 3.39Å; L104-K119 HydrophobicContact CD1-CB 4.19Å; L105-K119 HydrophobicContact CB-CB 4.07Å; L105-K119 PolarHBondContact N-O 3.29Å; T108-K119 HydrophobicContact CG2-CB 4.39Å; T108-K119 HydrophobicContact CG2-CG 3.94Å; T116-K119 WeakPolarHBondContact O-CB 3.24Å; T116-K119 PolarHBondContact O-N 3.43Å; A117-K119 VanDerWaalsContact C-N 3.29Å
120L90.3Very high85.5Confident3 Ų353 Ų532%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-83.5132.4166.1-78-176.8000110.6L98 L102 K103 L104 W112 D118 M190L98-L120 HydrophobicContact CD1-CD2 3.95Å; L102-L120 HydrophobicContact CD1-CB 4.22Å; L102-L120 HydrophobicContact CD1-CD2 4.14Å; L102-L120 HydrophobicContact CG-CD2 4.21Å; K103-L120 WeakPolarHBondContact O-CA 3.44Å; K103-L120 WeakPolarHBondContact O-CD2 3.44Å; L104-L120 HydrophobicContact CB-CD2 4.1Å; L104-L120 HydrophobicContact CD1-CD2 3.76Å; L104-L120 HydrophobicContact CD1-CG 4.1Å; W112-L120 HydrophobicContact CH2-CD1 3.46Å; W112-L120 VanDerWaalsContact CH2-CD1 3.46Å; W112-L120 HydrophobicContact CH2-CG 3.9Å; W112-L120 HydrophobicContact CZ2-CD1 4.26Å; W112-L120 HydrophobicContact CZ3-CD1 4.04Å; W112-L120 HydrophobicContact CZ3-CG 3.98Å; D118-L120 VanDerWaalsContact C-N 3.3Å; L120-M190 HydrophobicContact CB-CE 3.51Å; L120-M190 HydrophobicContact CD1-CE 4.04Å; L120-M190 HydrophobicContact CG-CE 4.44Å
121Y91.8Very high86.7Confident63 Ų6352.2 Ų52.225%0.24724%0.24CC..EExtended strand (participates in β ladder)trans-144.5157.6178.665.3-80.6000111K103 L105 L123 C156 V157K103-Y121 HydrophobicContact CB-CD1 4.28Å; K103-Y121 HydrophobicContact CB-CD2 4.39Å; K103-Y121 HydrophobicContact CB-CE1 3.71Å; K103-Y121 HydrophobicContact CB-CE2 3.84Å; K103-Y121 VanDerWaalsContact CB-CZ 3.45Å; K103-Y121 HydrophobicContact CG-CE2 4.44Å; K103-Y121 PolarHBondContact N-O 3.38Å; K103-Y121 WeakPolarHBondContact O-CD1 3.35Å; K103-Y121 PolarHBondContact O-N 3.44Å; L105-Y121 HydrophobicContact CD1-CE1 4.42Å; Y121-L123 HydrophobicContact CD2-CD2 4.32Å; Y121-L123 HydrophobicContact CE2-CD2 3.76Å; Y121-L123 HydrophobicContact CE2-CG 4.47Å; Y121-C156 HydrophobicContact CD2-CB 4.16Å; Y121-V157 CarbonylContact C-O 3.44Å; Y121-V157 VanDerWaalsContact CA-O 3.28Å; Y121-V157 WeakPolarHBondContact CA-O 3.4Å; Y121-V157 WeakPolarHBondContact CB-O 3.47Å
122W93.2Very high87.4Confident12 Ų1247.2 Ų47.25%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-105.6133.1178.8-63.2-91000111.7Y101 L102 L124 C156 V157 I162 M190 C212 P214 V217Y101-W122 CarbonylContact O-C 3.59Å; Y101-W122 VanDerWaalsContact O-CA 3.3Å; Y101-W122 WeakPolarHBondContact O-CA 3.44Å; L102-W122 HydrophobicContact CD1-CD2 4.41Å; L102-W122 HydrophobicContact CD1-CG 4.46Å; W122-L124 PolarHBondContact O-N 3.17Å; W122-L124 VanDerWaalsContact O-N 3.17Å; W122-C156 CarbonylContact O-C 3.57Å; W122-C156 VanDerWaalsContact O-CA 3.26Å; W122-C156 WeakPolarHBondContact O-CA 3.28Å; W122-V157 HydrophobicContact CE3-CB 4.45Å; W122-V157 HydrophobicContact CE3-CG1 3.94Å; W122-V157 HydrophobicContact CZ3-CG1 4.37Å; W122-V157 PolarHBondContact N-O 3.36Å; W122-V157 PolarHBondContact O-N 3.45Å; W122-I162 HydrophobicContact CH2-CD1 4.47Å; W122-I162 HydrophobicContact CZ3-CD1 4.1Å; W122-I162 HydrophobicContact CZ3-CG1 4.04Å; W122-M190 HydrophobicContact CH2-CE 3.47Å; W122-M190 VanDerWaalsContact CH2-CE 3.47Å; W122-M190 HydrophobicContact CH2-SD 3.55Å; W122-M190 VanDerWaalsContact CH2-SD 3.55Å; W122-M190 HydrophobicContact CZ2-CE 3.9Å; W122-M190 HydrophobicContact CZ2-SD 4.11Å; W122-M190 HydrophobicContact CZ3-CE 4.1Å; W122-M190 HydrophobicContact CZ3-SD 4.49Å; W122-C212 PolarHBondContact NE1-O 3.4Å; W122-P214 HydrophobicContact CB-CG 4.33Å; W122-P214 HydrophobicContact CD2-CB 4.49Å; W122-P214 HydrophobicContact CD2-CG 3.69Å; W122-P214 HydrophobicContact CE3-CG 4.12Å; W122-P214 HydrophobicContact CG-CG 3.78Å; W122-V217 HydrophobicContact CH2-CG2 3.78Å; W122-V217 HydrophobicContact CZ2-CG2 3.96Å
123L91.3Very high87.1Confident39 Ų3953.6 Ų53.620%0.20425%0.253CS..EExtended strand (participates in β ladder)trans-82.679.2168.2-58.9177.5000109.1Y101 K103 Y121 M126 K127Y101-L123 PolarHBondContact O-N 2.88Å; K103-L123 HydrophobicContact CD-CD1 4.4Å; K103-L123 HydrophobicContact CG-CD1 3.7Å; K103-L123 HydrophobicContact CG-CG 3.89Å; Y121-L123 HydrophobicContact CD2-CD2 4.32Å; Y121-L123 HydrophobicContact CE2-CD2 3.76Å; Y121-L123 HydrophobicContact CE2-CG 4.47Å; L123-M126 HydrophobicContact CB-CB 3.88Å; L123-M126 HydrophobicContact CB-CG 4.18Å; L123-M126 HydrophobicContact CD1-CG 4.49Å; L123-K127 PolarHBondContact O-N 3.16Å; L123-K127 VanDerWaalsContact O-N 3.08Å
124L88.6Confident86.6Confident14 Ų1454.2 Ų54.27%0.07326%0.257CS..Hα-helixtrans-73.9-41.1-168.7-123.4168.4000112.3W122 K127 Y128 Y142 G155 V157 P214W122-L124 PolarHBondContact O-N 3.17Å; W122-L124 VanDerWaalsContact O-N 3.17Å; L124-K127 WeakPolarHBondContact O-CB 3.47Å; L124-K127 PolarHBondContact O-N 2.86Å; L124-Y128 PolarHBondContact O-N 3.23Å; L124-Y142 HydrophobicContact CB-CE2 4.3Å; L124-Y142 HydrophobicContact CD1-CD2 4.27Å; L124-Y142 HydrophobicContact CD2-CD1 3.89Å; L124-Y142 HydrophobicContact CD2-CD2 4.16Å; L124-Y142 HydrophobicContact CD2-CE1 3.83Å; L124-Y142 HydrophobicContact CD2-CE2 4.12Å; L124-Y142 HydrophobicContact CD2-CG 4.05Å; L124-G155 PolarHBondContact N-O 3.13Å; L124-V157 HydrophobicContact CD1-CB 4.12Å; L124-V157 HydrophobicContact CD1-CG2 3.65Å; L124-P214 HydrophobicContact CD1-CG 4.19Å
125D89.7Confident85.8Confident4 Ų460.5 Ų60.52%0.02129%0.287CS..Hα-helixtrans-68.1-40.4176.5-73.7-7.1000112.5R12 K127 Y128 I129 L138 Y142 G155R12-D125 IonicContact CZ-OD1 3.18Å; R12-D125 IonicContact CZ-OD2 3.84Å; R12-D125 IonicContact NH1-OD1 3.99Å; R12-D125 IonicContact NH1-OD2 2.72Å; R12-D125 PolarHBondContact NH1-OD2 2.97Å; R12-D125 IonicContact NH2-OD1 2.72Å; R12-D125 PolarHBondContact NH2-OD1 2.98Å; R12-D125 IonicContact NH2-OD2 2.71Å; R12-D125 PolarHBondContact NH2-OD2 3.24Å; D125-K127 VanDerWaalsContact C-N 3.27Å; D125-K127 PolarHBondContact O-N 2.86Å; D125-Y128 PolarHBondContact O-N 3.39Å; D125-Y128 VanDerWaalsContact O-N 3.14Å; D125-I129 WeakPolarHBondContact O-CB 3.19Å; D125-I129 WeakPolarHBondContact O-CG1 3.24Å; D125-I129 PolarHBondContact O-N 3.02Å; D125-L138 HydrophobicContact CB-CD1 4.14Å; D125-L138 HydrophobicContact CB-CD2 3.6Å; D125-Y142 WeakPolarHBondContact OD1-CE2 3.26Å; D125-Y142 PolarHBondContact OD1-OH 3.49Å; D125-G155 VanDerWaalsContact CG-CA 3.48Å; D125-G155 PolarHBondContact N-O 2.99Å; D125-G155 WeakPolarHBondContact OD2-CA 3.31Å
126M86.9Confident85.2Confident72 Ų7259.8 Ų59.836%0.35529%0.294SS..Hα-helixtrans-58.2-39.7170-75.4-76.1-170.900111.8M2 Y101 L123 M130M2-M126 HydrophobicContact CE-CE 3.69Å; M2-M126 HydrophobicContact CE-CG 3.86Å; M2-M126 HydrophobicContact CE-SD 3.57Å; M2-M126 VanDerWaalsContact CE-SD 3.57Å; M2-M126 HydrophobicContact CG-CE 3.83Å; M2-M126 HydrophobicContact SD-CE 3.74Å; M2-M126 HydrophobicContact SD-CG 4.08Å; M2-M126 HydrophobicContact SD-SD 4.24Å; Y101-M126 HydrophobicContact CD1-CB 4.47Å; L123-M126 HydrophobicContact CB-CB 3.88Å; L123-M126 HydrophobicContact CB-CG 4.18Å; L123-M126 HydrophobicContact CD1-CG 4.49Å; M126-M130 WeakPolarHBondContact O-CB 3.34Å; M126-M130 WeakPolarHBondContact O-CG 3.37Å; M126-M130 PolarHBondContact O-N 2.87Å
127K83.9Confident84.8Confident65 Ų6564.1 Ų64.128%0.28332%0.316SS..Hα-helixtrans-62.9-46.6174.4179.5172.1-179.8-176.90110.7Y101 L123 L124 D125 M130 H131Y101-K127 HydrophobicContact CD1-CB 3.83Å; Y101-K127 HydrophobicContact CD2-CB 3.85Å; Y101-K127 HydrophobicContact CD2-CD 3.85Å; Y101-K127 HydrophobicContact CD2-CG 3.75Å; Y101-K127 HydrophobicContact CE1-CB 4.14Å; Y101-K127 HydrophobicContact CE2-CB 4.13Å; Y101-K127 HydrophobicContact CE2-CD 4.27Å; Y101-K127 HydrophobicContact CE2-CG 3.82Å; Y101-K127 HydrophobicContact CG-CB 3.69Å; Y101-K127 HydrophobicContact CG-CD 4.39Å; Y101-K127 HydrophobicContact CG-CG 4.13Å; L123-K127 PolarHBondContact O-N 3.16Å; L123-K127 VanDerWaalsContact O-N 3.08Å; L124-K127 WeakPolarHBondContact O-CB 3.47Å; L124-K127 PolarHBondContact O-N 2.86Å; D125-K127 VanDerWaalsContact C-N 3.27Å; D125-K127 PolarHBondContact O-N 2.86Å; K127-M130 PolarHBondContact O-N 3.17Å; K127-H131 VanDerWaalsContact CE-NE2 3.29Å; K127-H131 WeakPolarHBondContact CE-NE2 3.33Å; K127-H131 PolarHBondContact O-CD2 3.48Å; K127-H131 PolarHBondContact O-N 3.46Å; K127-H131 VanDerWaalsContact O-N 3.15Å
128Y85.4Confident84.7Confident68 Ų6865.6 Ų65.627%0.26732%0.324SS..Hα-helixtrans-59.3-53.7178.1-179.3-90.2000111.7L124 D125 M130 H131 T132 N137 L138 P139 Y142L124-Y128 PolarHBondContact O-N 3.23Å; D125-Y128 PolarHBondContact O-N 3.39Å; D125-Y128 VanDerWaalsContact O-N 3.14Å; Y128-M130 VanDerWaalsContact C-N 3.31Å; Y128-M130 PolarHBondContact O-N 3.32Å; Y128-H131 PolarHBondContact O-N 3.46Å; Y128-T132 HydrophobicContact CD1-CG2 4.13Å; Y128-T132 HydrophobicContact CD2-CG2 4.04Å; Y128-T132 HydrophobicContact CE1-CG2 3.89Å; Y128-T132 HydrophobicContact CE2-CG2 3.77Å; Y128-T132 HydrophobicContact CG-CG2 4.24Å; Y128-T132 PolarHBondContact O-N 2.88Å; Y128-T132 PolarHBondContact O-OG1 2.93Å; Y128-N137 WeakPolarHBondContact CE1-O 3.47Å; Y128-N137 PolarHBondContact OH-O 3.27Å; Y128-L138 HydrophobicContact CD1-CD2 3.86Å; Y128-P139 HydrophobicContact CD2-CG 3.77Å; Y128-P139 HydrophobicContact CE1-CG 4.31Å; Y128-P139 HydrophobicContact CE2-CG 3.46Å; Y128-P139 VanDerWaalsContact CE2-CG 3.46Å; Y128-P139 HydrophobicContact CG-CG 4.29Å; Y128-Y142 WeakPolarHBondContact CB-OH 3.24Å; Y128-Y142 HydrophobicContact CD2-CE1 4.06Å; Y128-Y142 HydrophobicContact CG-CE1 4.43Å
129I85.2Confident84.7Confident7 Ų764.9 Ų64.94%0.03632%0.322CS..Hα-helixtrans-54.9-44.3179.2-74.2161.1000111.7M2 D125 H131 K133 S134 E135 L138M2-I129 HydrophobicContact CE-CD1 3.35Å; D125-I129 WeakPolarHBondContact O-CB 3.19Å; D125-I129 WeakPolarHBondContact O-CG1 3.24Å; D125-I129 PolarHBondContact O-N 3.02Å; I129-H131 VanDerWaalsContact C-N 3.29Å; I129-H131 PolarHBondContact O-N 2.8Å; I129-K133 VanDerWaalsContact O-CA 3.23Å; I129-K133 WeakPolarHBondContact O-CA 3.43Å; I129-K133 PolarHBondContact O-N 3.29Å; I129-S134 WeakPolarHBondContact CG1-O 3.42Å; I129-E135 HydrophobicContact CB-CG 4.48Å; I129-E135 HydrophobicContact CD1-CB 4.37Å; I129-E135 HydrophobicContact CD1-CG 3.96Å; I129-E135 HydrophobicContact CG1-CB 4.48Å; I129-E135 HydrophobicContact CG1-CG 4Å; I129-E135 HydrophobicContact CG2-CG 3.64Å; I129-L138 HydrophobicContact CD1-CD1 4.18Å; I129-L138 HydrophobicContact CD1-CD2 3.81Å; I129-L138 HydrophobicContact CD1-CG 4.2Å; I129-L138 HydrophobicContact CG1-CD2 3.85Å; I129-L138 HydrophobicContact CG1-CG 4.47Å
130M81.7Confident84.8Confident116 Ų11664.4 Ų64.457%0.57132%0.322SS*.Hα-helixtrans-69.3-22.9178.4-69.7-70.8101.400113.9Y101 M126 K127 Y128Y101-M130 HydrophobicContact CE1-CB 4.3Å; Y101-M130 HydrophobicContact CE1-CG 4.16Å; Y101-M130 WeakPolarHBondContact OH-CB 3.34Å; M126-M130 WeakPolarHBondContact O-CB 3.34Å; M126-M130 WeakPolarHBondContact O-CG 3.37Å; M126-M130 PolarHBondContact O-N 2.87Å; K127-M130 PolarHBondContact O-N 3.17Å; Y128-M130 VanDerWaalsContact C-N 3.31Å; Y128-M130 PolarHBondContact O-N 3.32Å
131H81.7Confident84.9Confident131 Ų13166 Ų6661%0.60633%0.334SS*.Hα-helixtrans-88.7-37.1174.4-77.6-65.9000113.2K127 Y128 I129K127-H131 VanDerWaalsContact CE-NE2 3.29Å; K127-H131 WeakPolarHBondContact CE-NE2 3.33Å; K127-H131 PolarHBondContact O-CD2 3.48Å; K127-H131 PolarHBondContact O-N 3.46Å; K127-H131 VanDerWaalsContact O-N 3.15Å; Y128-H131 PolarHBondContact O-N 3.46Å; I129-H131 VanDerWaalsContact C-N 3.29Å; I129-H131 PolarHBondContact O-N 2.8Å
132T84.1Confident84.9Confident63 Ų6364.1 Ų64.139%0.38733%0.326SS..Hα-helixtrans-95.4-18.7-175.4610000114Y128 S134Y128-T132 HydrophobicContact CD1-CG2 4.13Å; Y128-T132 HydrophobicContact CD2-CG2 4.04Å; Y128-T132 HydrophobicContact CE1-CG2 3.89Å; Y128-T132 HydrophobicContact CE2-CG2 3.77Å; Y128-T132 HydrophobicContact CG-CG2 4.24Å; Y128-T132 PolarHBondContact O-N 2.88Å; Y128-T132 PolarHBondContact O-OG1 2.93Å; T132-S134 PolarHBondContact O-N 3.01Å; T132-S134 PolarHBondContact OG1-N 3.3Å
133K79.4Confident84.7Confident195 Ų19571.5 Ų71.585%0.84836%0.359SS*.  trans58.225.3-169.4-53.4178.7-178.81770113.8I129I129-K133 VanDerWaalsContact O-CA 3.23Å; I129-K133 WeakPolarHBondContact O-CA 3.43Å; I129-K133 PolarHBondContact O-N 3.29Å
134S77.2Confident84.4Confident29 Ų2972.1 Ų72.120%0.20336%0.36CS..  trans-126.6119.2179.3176.10000111.1I129 T132 S136I129-S134 WeakPolarHBondContact CG1-O 3.42Å; T132-S134 PolarHBondContact O-N 3.01Å; T132-S134 PolarHBondContact OG1-N 3.3Å; S134-S136 PolarHBondContact OG-OG 3.11Å
135E72.2Confident84.1Confident137 Ų13779.2 Ų79.264%0.6439%0.392SS*.SBendtrans-91-24.9172.6-60.6-172147.200112.5I129 N137I129-E135 HydrophobicContact CB-CG 4.48Å; I129-E135 HydrophobicContact CD1-CB 4.37Å; I129-E135 HydrophobicContact CD1-CG 3.96Å; I129-E135 HydrophobicContact CG1-CB 4.48Å; I129-E135 HydrophobicContact CG1-CG 4Å; I129-E135 HydrophobicContact CG2-CG 3.64Å; E135-N137 PolarHBondContact O-N 3.34Å
136S70.3Confident84Confident96 Ų9685.5 Ų85.567%0.67142%0.417SS*.THydrogen-bonded Turntrans-69.2-31.3-177.547.80000114.1S134S134-S136 PolarHBondContact OG-OG 3.11Å
137N80.6Confident84.3Confident114 Ų11482.1 Ų82.161%0.6140%0.4SS*.THydrogen-bonded Turntrans-116.355.8-172.2-67.3-12.4000112.1Y128 E135Y128-N137 WeakPolarHBondContact CE1-O 3.47Å; Y128-N137 PolarHBondContact OH-O 3.27Å; E135-N137 PolarHBondContact O-N 3.34Å
138L86.8Confident84.7Confident30 Ų3081.2 Ų81.216%0.15740%0.4CS..  trans-69.3135.4173.4-83.9176.3000111.7L8 D125 Y128 I129L8-L138 HydrophobicContact CD2-CB 3.58Å; L8-L138 HydrophobicContact CD2-CD1 3.9Å; L8-L138 HydrophobicContact CD2-CG 4.41Å; D125-L138 HydrophobicContact CB-CD1 4.14Å; D125-L138 HydrophobicContact CB-CD2 3.6Å; Y128-L138 HydrophobicContact CD1-CD2 3.86Å; I129-L138 HydrophobicContact CD1-CD1 4.18Å; I129-L138 HydrophobicContact CD1-CD2 3.81Å; I129-L138 HydrophobicContact CD1-CG 4.2Å; I129-L138 HydrophobicContact CG1-CD2 3.85Å; I129-L138 HydrophobicContact CG1-CG 4.47Å
139P89Confident85.2Confident30 Ų3078 Ų7820%0.19539%0.387CS..  trans-68.6137.4178.3-20.633.6000113R12 Y128 S141 Y142R12-P139 PolarHBondContact NH2-O 2.91Å; Y128-P139 HydrophobicContact CD2-CG 3.77Å; Y128-P139 HydrophobicContact CE1-CG 4.31Å; Y128-P139 HydrophobicContact CE2-CG 3.46Å; Y128-P139 VanDerWaalsContact CE2-CG 3.46Å; Y128-P139 HydrophobicContact CG-CG 4.29Å; P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 2.85Å; P139-Y142 HydrophobicContact CB-CE1 4.32Å; P139-Y142 HydrophobicContact CG-CD1 4.47Å; P139-Y142 HydrophobicContact CG-CE1 3.85Å
140I90.8Very high85.6Confident64 Ų6478 Ų7833%0.32839%0.387SS..SBendtrans-58.5-42.8168-54.4167.8000110L8 E11 R12 A15L8-I140 HydrophobicContact CD1-CG1 4.16Å; E11-I140 HydrophobicContact CB-CD1 4.1Å; E11-I140 HydrophobicContact CB-CG1 4.15Å; E11-I140 HydrophobicContact CB-CG2 4.31Å; E11-I140 WeakPolarHBondContact OE2-CD1 3.45Å; E11-I140 WeakPolarHBondContact OE2-CG1 3.49Å; R12-I140 HydrophobicContact CG-CG2 4.1Å; R12-I140 PolarHBondContact NE-O 3Å; A15-I140 HydrophobicContact CB-CG2 3.94Å
141S92.5Very high86.2Confident37 Ų3772.5 Ų72.526%0.25936%0.36SS..  trans-145.5154.717963.60000112.6P139 L149P139-S141 VanDerWaalsContact C-N 3.27Å; P139-S141 PolarHBondContact O-N 2.85Å; S141-L149 CarbonylContact C-O 3.56Å; S141-L149 WeakPolarHBondContact CA-O 3.35Å; S141-L149 WeakPolarHBondContact CB-O 3.19Å
142Y92.5Very high86.8Confident24 Ų2468.3 Ų68.39%0.09434%0.342CS..EExtended strand (participates in β ladder)trans-108.9116.8178.5-63.5-92.1000109.6L124 D125 Y128 P139 L149 P151L124-Y142 HydrophobicContact CB-CE2 4.3Å; L124-Y142 HydrophobicContact CD1-CD2 4.27Å; L124-Y142 HydrophobicContact CD2-CD1 3.89Å; L124-Y142 HydrophobicContact CD2-CD2 4.16Å; L124-Y142 HydrophobicContact CD2-CE1 3.83Å; L124-Y142 HydrophobicContact CD2-CE2 4.12Å; L124-Y142 HydrophobicContact CD2-CG 4.05Å; D125-Y142 WeakPolarHBondContact OD1-CE2 3.26Å; D125-Y142 PolarHBondContact OD1-OH 3.49Å; Y128-Y142 WeakPolarHBondContact CB-OH 3.24Å; Y128-Y142 HydrophobicContact CD2-CE1 4.06Å; Y128-Y142 HydrophobicContact CG-CE1 4.43Å; P139-Y142 HydrophobicContact CB-CE1 4.32Å; P139-Y142 HydrophobicContact CG-CD1 4.47Å; P139-Y142 HydrophobicContact CG-CE1 3.85Å; Y142-L149 PolarHBondContact N-O 2.7Å; Y142-L149 PolarHBondContact O-N 2.78Å; Y142-P151 HydrophobicContact CD2-CG 3.9Å; Y142-P151 HydrophobicContact CE2-CG 3.65Å
143K89.6Confident87Confident166 Ų16670.4 Ų70.472%0.72235%0.346SS*.EExtended strand (participates in β ladder)trans-92.2131.5179.8-63-175.7179.2176.40110.8V148K143-V148 HydrophobicContact CG-CG2 4.35Å
144F83.9Confident87.5Confident52 Ų5265.8 Ų65.823%0.22833%0.326CS..EExtended strand (participates in β ladder)trans-135.797.9178.3-59.6-81.5000109.9Y146 F147 L149 I215F144-Y146 PolarHBondContact O-N 3.04Å; F144-Y146 VanDerWaalsContact O-N 3.1Å; F144-F147 PolarHBondContact N-O 3.02Å; F144-F147 PolarHBondContact O-N 3.3Å; F144-L149 HydrophobicContact CD2-CD1 3.97Å; F144-L149 HydrophobicContact CE2-CB 4.34Å; F144-L149 HydrophobicContact CE2-CD1 3.8Å; F144-I215 HydrophobicContact CB-CB 4.07Å; F144-I215 HydrophobicContact CB-CD1 3.55Å; F144-I215 HydrophobicContact CB-CG1 3.85Å; F144-I215 HydrophobicContact CD1-CB 4.04Å; F144-I215 HydrophobicContact CD1-CG1 4.46Å; F144-I215 HydrophobicContact CD1-CG2 4.28Å; F144-I215 HydrophobicContact CG-CB 4.07Å; F144-I215 HydrophobicContact CG-CD1 4.45Å; F144-I215 HydrophobicContact CG-CG1 4.37Å
145H83.2Confident88.1Confident163 Ų16364.5 Ų64.576%0.75532%0.317SS*.THydrogen-bonded Turntrans51.2-112.6-169.9-58.884.1000111.4
146Y86.7Confident89.1Confident136 Ų13658.7 Ų58.753%0.53329%0.291SS..THydrogen-bonded Turntrans-86-8.1-178.4-50.1-75.3000113.9F144 K171F144-Y146 PolarHBondContact O-N 3.04Å; F144-Y146 VanDerWaalsContact O-N 3.1Å; Y146-K171 HydrophobicContact CD1-CD 4.41Å; Y146-K171 HydrophobicContact CD2-CD 4.43Å; Y146-K171 HydrophobicContact CE1-CD 4.49Å; Y146-K171 VanDerWaalsContact CE1-CE 3.46Å; Y146-K171 HydrophobicContact CG-CD 4.38Å; Y146-K171 PolarHBondContact OH-NZ 3.03Å; Y146-K171 VanDerWaalsContact OH-NZ 3.13Å
147F93.1Very high90.3Very high2 Ų254.1 Ų54.11%0.00926%0.26CS..EExtended strand (participates in β ladder)trans-100.5143.1-175.1-56-72.9000112.2F144 F166 C169 I172 I215 L218 H222F144-F147 PolarHBondContact N-O 3.02Å; F144-F147 PolarHBondContact O-N 3.3Å; F147-F166 AromaticContact CE1-CD2 3.97Å; F147-F166 HydrophobicContact CE1-CD2 3.97Å; F147-C169 HydrophobicContact CD1-CB 3.92Å; F147-C169 HydrophobicContact CE1-CB 3.89Å; F147-I172 HydrophobicContact CE1-CD1 4.32Å; F147-I215 HydrophobicContact CD2-CD1 3.83Å; F147-I215 HydrophobicContact CE2-CD1 4.34Å; F147-L218 HydrophobicContact CB-CD1 3.88Å; F147-L218 HydrophobicContact CD1-CB 4.4Å; F147-L218 HydrophobicContact CD1-CD2 4.06Å; F147-L218 HydrophobicContact CD2-CB 3.88Å; F147-L218 HydrophobicContact CD2-CD1 4.34Å; F147-L218 HydrophobicContact CE1-CB 4.42Å; F147-L218 HydrophobicContact CE1-CD2 4.36Å; F147-L218 HydrophobicContact CE2-CB 3.89Å; F147-L218 HydrophobicContact CG-CB 4.14Å; F147-L218 HydrophobicContact CG-CD1 4.02Å; F147-L218 HydrophobicContact CG-CD2 4.34Å; F147-L218 HydrophobicContact CG-CG 4.4Å; F147-L218 HydrophobicContact CZ-CB 4.16Å; F147-H222 HydrophobicContact CZ-CB 4.15Å; F147-H222 AromaticContact CZ-CD2 3.81Å
148V93.5Very high90.8Very high45 Ų4549.1 Ų49.127%0.27324%0.235SC..EExtended strand (participates in β ladder)trans-119.4114.4172.9-174.50000108.3Q19 K143 I150 S165Q19-V148 PolarHBondContact NE2-O 2.96Å; Q19-V148 VanDerWaalsContact NE2-O 3.08Å; K143-V148 HydrophobicContact CG-CG2 4.35Å; V148-I150 HydrophobicContact CG1-CG1 4.41Å; V148-S165 PolarHBondContact N-OG 3.44Å; V148-S165 VanDerWaalsContact O-CB 3.26Å; V148-S165 WeakPolarHBondContact O-CB 3.21Å; V148-S165 PolarHBondContact O-OG 3.28Å
149L94.4Very high91.2Very high0 Ų049.3 Ų49.30%024%0.235CC..EExtended strand (participates in β ladder)trans-98124.6176.2-90.4168.6000109.8S141 Y142 F144 V157 E161 I162 P214 L218S141-L149 CarbonylContact C-O 3.56Å; S141-L149 WeakPolarHBondContact CA-O 3.35Å; S141-L149 WeakPolarHBondContact CB-O 3.19Å; Y142-L149 PolarHBondContact N-O 2.7Å; Y142-L149 PolarHBondContact O-N 2.78Å; F144-L149 HydrophobicContact CD2-CD1 3.97Å; F144-L149 HydrophobicContact CE2-CB 4.34Å; F144-L149 HydrophobicContact CE2-CD1 3.8Å; L149-V157 HydrophobicContact CD2-CG1 3.85Å; L149-V157 HydrophobicContact CD2-CG2 4.39Å; L149-E161 HydrophobicContact CD2-CB 4.36Å; L149-E161 WeakPolarHBondContact CD2-O 3.33Å; L149-I162 HydrophobicContact CD1-CD1 4.27Å; L149-I162 HydrophobicContact CD2-CD1 4.1Å; L149-P214 HydrophobicContact CD1-CB 3.57Å; L149-L218 HydrophobicContact CD1-CD1 3.76Å; L149-L218 HydrophobicContact CG-CD1 4.03Å
150I95.6Very high91.4Very high8 Ų851.6 Ų51.64%0.04124%0.243CC..  trans-112.3117.6175.8-45.4178000106.6R12 A15 R16 Q19 V148R12-I150 HydrophobicContact CB-CG2 4.32Å; R12-I150 HydrophobicContact CG-CG2 4.25Å; A15-I150 VanDerWaalsContact C-CD1 3.45Å; A15-I150 HydrophobicContact CB-CD1 3.86Å; A15-I150 HydrophobicContact CB-CG2 4.38Å; A15-I150 WeakPolarHBondContact O-CD1 3.36Å; R16-I150 HydrophobicContact CG-CB 3.98Å; R16-I150 HydrophobicContact CG-CD1 4.35Å; R16-I150 HydrophobicContact CG-CG2 3.64Å; Q19-I150 HydrophobicContact CB-CD1 3.95Å; V148-I150 HydrophobicContact CG1-CG1 4.41Å
151P94.3Very high91.6Very high0 Ų050.2 Ų50.20%024%0.235CC..  trans-68.2169.5178.1-17.230.5000112.9Y142 C156 V157Y142-P151 HydrophobicContact CD2-CG 3.9Å; Y142-P151 HydrophobicContact CE2-CG 3.65Å; P151-C156 CarbonylContact C-O 3.58Å; P151-C156 VanDerWaalsContact CA-O 3.3Å; P151-C156 WeakPolarHBondContact CA-O 3.47Å; P151-C156 WeakPolarHBondContact CB-O 3.35Å; P151-V157 HydrophobicContact CB-CG2 4.24Å; P151-V157 HydrophobicContact CG-CG2 4.41Å
152D92.5Very high91.8Very high43 Ų4348.5 Ų48.523%0.2322%0.223CC..  trans-77.1-179.6165.279.6-3.5000112.9R12 F154 G155 C156R12-D152 PolarHBondContact NH1-O 3.45Å; D152-F154 PolarHBondContact O-N 3.35Å; D152-F154 WeakPolarHBondContact OD1-CA 3.24Å; D152-F154 WeakPolarHBondContact OD1-CB 3.43Å; D152-F154 PolarHBondContact OD1-N 2.69Å; D152-G155 PolarHBondContact O-N 3.22Å; D152-G155 PolarHBondContact OD1-N 3.31Å; D152-C156 PolarHBondContact N-O 3.02Å; D152-C156 WeakPolarHBondContact OD1-CA 3.32Å; D152-C156 VanDerWaalsContact OD1-CB 3.29Å; D152-C156 WeakPolarHBondContact OD1-CB 3.49Å; D152-C156 PolarHBondContact OD1-N 2.94Å
153K90.2Very high91.9Very high107 Ų10747.4 Ų47.447%0.46522%0.218SC..THydrogen-bonded Turntrans-60.3-6.9175.768.5-171.7177.3-177.20116.5I4 E9I4-K153 HydrophobicContact CD1-CD 4.31Å; I4-K153 HydrophobicContact CD1-CG 4.43Å; I4-K153 HydrophobicContact CG2-CB 4.41Å; E9-K153 VanDerWaalsContact CD-CA 3.42Å; E9-K153 HydrophobicContact CG-CB 3.72Å; E9-K153 WeakPolarHBondContact OE1-CB 3.33Å; E9-K153 VanDerWaalsContact OE2-CA 3.25Å; E9-K153 WeakPolarHBondContact OE2-CA 3.44Å; E9-K153 PolarHBondContact OE2-N 3.38Å
154F89.5Confident92.1Very high98 Ų9840.5 Ų40.543%0.4319%0.19SC..THydrogen-bonded Turntrans-112.210.7176-55.5-63.7000111.9I4 D152 C156I4-F154 HydrophobicContact CD1-CD1 4.47Å; I4-F154 HydrophobicContact CD1-CE1 3.9Å; I4-F154 HydrophobicContact CG1-CD1 4.31Å; I4-F154 HydrophobicContact CG1-CE1 4.16Å; D152-F154 PolarHBondContact O-N 3.35Å; D152-F154 WeakPolarHBondContact OD1-CA 3.24Å; D152-F154 WeakPolarHBondContact OD1-CB 3.43Å; D152-F154 PolarHBondContact OD1-N 2.69Å; F154-C156 PolarHBondContact O-N 2.77Å; F154-C156 PolarHBondContact O-SG 2.89Å
155G90.2Very high92.6Very high2 Ų238 Ų382%0.02118%0.179CC..SBendtrans68.420.1-17600000113.6L124 D125 D152L124-G155 PolarHBondContact N-O 3.13Å; D125-G155 VanDerWaalsContact CG-CA 3.48Å; D125-G155 PolarHBondContact N-O 2.99Å; D125-G155 WeakPolarHBondContact OD2-CA 3.31Å; D152-G155 PolarHBondContact O-N 3.22Å; D152-G155 PolarHBondContact OD1-N 3.31Å
156C92.8Very high93.2Very high15 Ų1530.3 Ų30.310%0.10114%0.143CC..EExtended strand (participates in β ladder)trans-98.8152.5-176.7-62.60000111.4Y121 W122 P151 D152 F154Y121-C156 HydrophobicContact CD2-CB 4.16Å; W122-C156 CarbonylContact O-C 3.57Å; W122-C156 VanDerWaalsContact O-CA 3.26Å; W122-C156 WeakPolarHBondContact O-CA 3.28Å; P151-C156 CarbonylContact C-O 3.58Å; P151-C156 VanDerWaalsContact CA-O 3.3Å; P151-C156 WeakPolarHBondContact CA-O 3.47Å; P151-C156 WeakPolarHBondContact CB-O 3.35Å; D152-C156 PolarHBondContact N-O 3.02Å; D152-C156 WeakPolarHBondContact OD1-CA 3.32Å; D152-C156 VanDerWaalsContact OD1-CB 3.29Å; D152-C156 WeakPolarHBondContact OD1-CB 3.49Å; D152-C156 PolarHBondContact OD1-N 2.94Å; F154-C156 PolarHBondContact O-N 2.77Å; F154-C156 PolarHBondContact O-SG 2.89Å
157V94Very high93.5Very high1 Ų124.7 Ų24.71%0.00612%0.122CC..EExtended strand (participates in β ladder)trans-127.8130.5170.7162.50000108.1Y121 W122 L124 L149 P151 E161 I162Y121-V157 CarbonylContact C-O 3.44Å; Y121-V157 VanDerWaalsContact CA-O 3.28Å; Y121-V157 WeakPolarHBondContact CA-O 3.4Å; Y121-V157 WeakPolarHBondContact CB-O 3.47Å; W122-V157 HydrophobicContact CE3-CB 4.45Å; W122-V157 HydrophobicContact CE3-CG1 3.94Å; W122-V157 HydrophobicContact CZ3-CG1 4.37Å; W122-V157 PolarHBondContact N-O 3.36Å; W122-V157 PolarHBondContact O-N 3.45Å; L124-V157 HydrophobicContact CD1-CB 4.12Å; L124-V157 HydrophobicContact CD1-CG2 3.65Å; L149-V157 HydrophobicContact CD2-CG1 3.85Å; L149-V157 HydrophobicContact CD2-CG2 4.39Å; P151-V157 HydrophobicContact CB-CG2 4.24Å; P151-V157 HydrophobicContact CG-CG2 4.41Å; V157-E161 HydrophobicContact CB-CB 4.37Å; V157-E161 HydrophobicContact CG1-CB 4.03Å; V157-E161 HydrophobicContact CG2-CB 4.2Å; V157-I162 HydrophobicContact CG1-CD1 4.11Å; V157-I162 HydrophobicContact CG1-CG1 3.95Å
158G92.7Very high93.4Very high9 Ų925.1 Ų25.19%0.09313%0.125CC..  trans-138.3-144.5175.100000111.2Q160 E161 I162G158-Q160 PolarHBondContact O-N 3.27Å; G158-E161 VanDerWaalsContact CA-OE2 3.32Å; G158-E161 WeakPolarHBondContact CA-OE2 3.33Å; G158-E161 PolarHBondContact N-OE2 2.74Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.03Å
159K94Very high93.2Very high33 Ų3323.1 Ų23.114%0.14311%0.113CC..Hα-helixtrans-61.7-45.2-172.9178.5172.6169.6-174.80113.3D118 I163 E183 Y186D118-K159 HydrophobicContact CB-CD 3.88Å; K159-I163 HydrophobicContact CD-CD1 4.48Å; K159-I163 HydrophobicContact CG-CD1 3.66Å; K159-I163 VanDerWaalsContact O-CD1 3.28Å; K159-I163 WeakPolarHBondContact O-CD1 3.21Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.76Å; K159-I163 VanDerWaalsContact O-N 3.15Å; K159-E183 VanDerWaalsContact CE-CG 3.49Å; K159-E183 WeakPolarHBondContact CE-OE2 3.31Å; K159-E183 IonicContact NZ-OE2 3.21Å; K159-E183 PolarHBondContact NZ-OE2 3.23Å; K159-Y186 HydrophobicContact CB-CD1 4.24Å; K159-Y186 HydrophobicContact CB-CE1 3.6Å; K159-Y186 HydrophobicContact CD-CD1 4.11Å; K159-Y186 HydrophobicContact CD-CE1 4.17Å; K159-Y186 HydrophobicContact CG-CD1 3.81Å; K159-Y186 HydrophobicContact CG-CE1 3.72Å; K159-Y186 PolarHBondContact N-OH 3.38Å
160Q94Very high92.7Very high79 Ų7933.8 Ų33.837%0.36915%0.154SC..Hα-helixtrans-73.3-39.2-172.8-58.2-63.7-15.700111.3G158 I163 N164G158-Q160 PolarHBondContact O-N 3.27Å; Q160-I163 PolarHBondContact O-N 2.91Å; Q160-N164 WeakPolarHBondContact O-CB 3.34Å; Q160-N164 PolarHBondContact O-N 2.79Å; Q160-N164 PolarHBondContact O-ND2 3.05Å
161E95Very high92.3Very high35 Ų3538.6 Ų38.616%0.16417%0.174CC..Hα-helixtrans-67.7-39.7-177.4-58.965.3-131.600110.3L149 V157 G158 S165L149-E161 HydrophobicContact CD2-CB 4.36Å; L149-E161 WeakPolarHBondContact CD2-O 3.33Å; V157-E161 HydrophobicContact CB-CB 4.37Å; V157-E161 HydrophobicContact CG1-CB 4.03Å; V157-E161 HydrophobicContact CG2-CB 4.2Å; G158-E161 VanDerWaalsContact CA-OE2 3.32Å; G158-E161 WeakPolarHBondContact CA-OE2 3.33Å; G158-E161 PolarHBondContact N-OE2 2.74Å; E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.23Å
162I95.7Very high92Very high0 Ų038.9 Ų38.90%018%0.176CC..Hα-helixtrans-63.8-45171.9-66.7-79.4000111.3W122 L149 V157 G158 S165 F166 Y186 P214 V217 L218 L221W122-I162 HydrophobicContact CH2-CD1 4.47Å; W122-I162 HydrophobicContact CZ3-CD1 4.1Å; W122-I162 HydrophobicContact CZ3-CG1 4.04Å; L149-I162 HydrophobicContact CD1-CD1 4.27Å; L149-I162 HydrophobicContact CD2-CD1 4.1Å; V157-I162 HydrophobicContact CG1-CD1 4.11Å; V157-I162 HydrophobicContact CG1-CG1 3.95Å; G158-I162 WeakPolarHBondContact O-CG1 3.29Å; G158-I162 PolarHBondContact O-N 3.03Å; I162-S165 PolarHBondContact O-N 3.3Å; I162-F166 WeakPolarHBondContact O-CB 3.27Å; I162-F166 PolarHBondContact O-N 3.2Å; I162-Y186 HydrophobicContact CB-CD2 4.3Å; I162-Y186 HydrophobicContact CB-CE2 3.9Å; I162-Y186 HydrophobicContact CG1-CE2 4.05Å; I162-Y186 HydrophobicContact CG2-CD2 3.74Å; I162-Y186 HydrophobicContact CG2-CE2 3.76Å; I162-P214 HydrophobicContact CD1-CB 4.07Å; I162-V217 HydrophobicContact CG2-CG1 4.2Å; I162-L218 HydrophobicContact CD1-CD1 4.36Å; I162-L218 HydrophobicContact CD1-CG 4.15Å; I162-L218 HydrophobicContact CG2-CD2 4.02Å; I162-L218 HydrophobicContact CG2-CG 4.45Å; I162-L221 HydrophobicContact CG2-CD1 3.86Å
163I94.7Very high91.7Very high1 Ų139.9 Ų39.91%0.00519%0.185CC..Hα-helixtrans-65-44.6179.6-69.5164.3000111.4K159 Q160 F166 L167 I182 E183K159-I163 HydrophobicContact CD-CD1 4.48Å; K159-I163 HydrophobicContact CG-CD1 3.66Å; K159-I163 VanDerWaalsContact O-CD1 3.28Å; K159-I163 WeakPolarHBondContact O-CD1 3.21Å; K159-I163 WeakPolarHBondContact O-CG1 3.46Å; K159-I163 PolarHBondContact O-N 2.76Å; K159-I163 VanDerWaalsContact O-N 3.15Å; Q160-I163 PolarHBondContact O-N 2.91Å; I163-F166 PolarHBondContact O-N 2.92Å; I163-L167 HydrophobicContact CG2-CD1 3.84Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CB 3.36Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 2.75Å; I163-I182 HydrophobicContact CG1-CG2 3.95Å; I163-I182 HydrophobicContact CG2-CG2 4.44Å; I163-E183 HydrophobicContact CD1-CG 3.62Å
164N94.3Very high91.4Very high22 Ų2235.3 Ų35.312%0.11817%0.166CC..Hα-helixtrans-62.7-44.1176.8-66-22.4000110.9Q20 I23 Q160 F166 L167 S168Q20-N164 PolarHBondContact NE2-ND2 3.3Å; Q20-N164 PolarHBondContact NE2-OD1 3.21Å; I23-N164 HydrophobicContact CD1-CB 4.16Å; Q160-N164 WeakPolarHBondContact O-CB 3.34Å; Q160-N164 PolarHBondContact O-N 2.79Å; Q160-N164 PolarHBondContact O-ND2 3.05Å; N164-F166 VanDerWaalsContact C-N 3.33Å; N164-F166 PolarHBondContact O-N 2.92Å; N164-L167 PolarHBondContact O-N 3.02Å; N164-S168 VanDerWaalsContact O-CB 3.28Å; N164-S168 WeakPolarHBondContact O-CB 3.38Å; N164-S168 PolarHBondContact O-N 3.28Å; N164-S168 PolarHBondContact O-OG 3.23Å
165S94.5Very high91.1Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-58.1-45.5174.9-165.60000112.1V148 E161 I162 S168V148-S165 PolarHBondContact N-OG 3.44Å; V148-S165 VanDerWaalsContact O-CB 3.26Å; V148-S165 WeakPolarHBondContact O-CB 3.21Å; V148-S165 PolarHBondContact O-OG 3.28Å; E161-S165 VanDerWaalsContact O-CB 3.23Å; E161-S165 WeakPolarHBondContact O-CB 3.48Å; E161-S165 PolarHBondContact O-N 3.23Å; I162-S165 PolarHBondContact O-N 3.3Å; S165-S168 PolarHBondContact O-N 2.77Å; S165-S168 PolarHBondContact O-OG 3.48Å
166F94.9Very high90.8Very high0 Ų039.2 Ų39.20%019%0.191CC..Hα-helixtrans-62.2-52177.7-169.7-108000112.4F147 I162 I163 N164 S168 C169 I172 I177 W181 I182 L218 L221 H222F147-F166 AromaticContact CE1-CD2 3.97Å; F147-F166 HydrophobicContact CE1-CD2 3.97Å; I162-F166 WeakPolarHBondContact O-CB 3.27Å; I162-F166 PolarHBondContact O-N 3.2Å; I163-F166 PolarHBondContact O-N 2.92Å; N164-F166 VanDerWaalsContact C-N 3.33Å; N164-F166 PolarHBondContact O-N 2.92Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 3.09Å; F166-C169 WeakPolarHBondContact O-CB 3.5Å; F166-C169 PolarHBondContact O-N 2.69Å; F166-I172 HydrophobicContact CD1-CD1 4.1Å; F166-I172 HydrophobicContact CD2-CD1 3.56Å; F166-I172 HydrophobicContact CE1-CD1 3.85Å; F166-I172 HydrophobicContact CE1-CG2 4.33Å; F166-I172 HydrophobicContact CE2-CD1 3.25Å; F166-I172 HydrophobicContact CE2-CG1 4.42Å; F166-I172 HydrophobicContact CG-CD1 3.97Å; F166-I172 HydrophobicContact CZ-CD1 3.42Å; F166-I172 VanDerWaalsContact CZ-CD1 3.42Å; F166-I172 HydrophobicContact CZ-CG1 4.25Å; F166-I172 WeakPolarHBondContact O-CD1 3.31Å; F166-I177 HydrophobicContact CE1-CD1 3.83Å; F166-W181 HydrophobicContact CE1-CZ3 4.17Å; F166-W181 HydrophobicContact CZ-CZ3 4.43Å; F166-I182 HydrophobicContact CD1-CD1 4.23Å; F166-I182 HydrophobicContact CD1-CG1 4.39Å; F166-I182 HydrophobicContact CD1-CG2 4.09Å; F166-I182 HydrophobicContact CE1-CG1 4.38Å; F166-L218 HydrophobicContact CB-CD2 4.06Å; F166-L218 HydrophobicContact CD2-CD2 4.42Å; F166-L221 HydrophobicContact CD2-CB 3.72Å; F166-L221 HydrophobicContact CD2-CD1 4.28Å; F166-L221 HydrophobicContact CE2-CB 3.39Å; F166-L221 HydrophobicContact CG-CB 4.42Å; F166-L221 HydrophobicContact CG-CD1 4.37Å; F166-L221 HydrophobicContact CZ-CB 3.82Å; F166-H222 HydrophobicContact CE2-CB 4.3Å
167L93Very high90.6Very high18 Ų1839.2 Ų39.29%0.09419%0.19CC..Hα-helixtrans-65.8-25.9179.8-74.5170.4000113.9I23 N26 I163 N164 C169 P174 I182I23-L167 HydrophobicContact CD1-CB 3.94Å; I23-L167 HydrophobicContact CG1-CB 3.78Å; I23-L167 HydrophobicContact CG2-CB 4Å; I23-L167 HydrophobicContact CG2-CD1 4.2Å; N26-L167 PolarHBondContact ND2-O 2.95Å; I163-L167 HydrophobicContact CG2-CD1 3.84Å; I163-L167 HydrophobicContact CG2-CG 4.48Å; I163-L167 WeakPolarHBondContact O-CB 3.36Å; I163-L167 WeakPolarHBondContact O-CG 3.45Å; I163-L167 PolarHBondContact O-N 2.75Å; N164-L167 PolarHBondContact O-N 3.02Å; L167-C169 VanDerWaalsContact C-N 3.3Å; L167-P174 HydrophobicContact CD2-CB 3.98Å; L167-I182 HydrophobicContact CD1-CD1 4.21Å; L167-I182 HydrophobicContact CD2-CD1 3.58Å; L167-I182 HydrophobicContact CG-CD1 3.86Å
168S91.1Very high90.2Very high11 Ų1141.8 Ų41.88%0.07721%0.205CC..THydrogen-bonded Turntrans-77.5-12177.272.40000114.2Q19 N164 S165 F166 R170Q19-S168 PolarHBondContact NE2-OG 2.79Å; N164-S168 VanDerWaalsContact O-CB 3.28Å; N164-S168 WeakPolarHBondContact O-CB 3.38Å; N164-S168 PolarHBondContact O-N 3.28Å; N164-S168 PolarHBondContact O-OG 3.23Å; S165-S168 PolarHBondContact O-N 2.77Å; S165-S168 PolarHBondContact O-OG 3.48Å; F166-S168 VanDerWaalsContact C-N 3.28Å; F166-S168 PolarHBondContact O-N 3.09Å; S168-R170 PolarHBondContact O-N 2.82Å
169C90Very high89.9Confident3 Ų347.8 Ų47.82%0.0223%0.225CC..  trans-75.3122.4-177.7179.90000111.9F147 F166 L167 K171 I172F147-C169 HydrophobicContact CD1-CB 3.92Å; F147-C169 HydrophobicContact CE1-CB 3.89Å; F166-C169 WeakPolarHBondContact O-CB 3.5Å; F166-C169 PolarHBondContact O-N 2.69Å; L167-C169 VanDerWaalsContact C-N 3.3Å; C169-K171 PolarHBondContact O-N 3.23Å; C169-I172 HydrophobicContact CB-CD1 4.12Å; C169-I172 PolarHBondContact O-N 3.1Å; C169-I172 VanDerWaalsContact O-N 3.09Å
170R84.9Confident89.6Confident225 Ų22546.8 Ų46.885%0.84922%0.224SC*.THydrogen-bonded Turntrans-60.6-10.4-178.2-65.9-177178.9177.5-1.5115.8S168S168-R170 PolarHBondContact O-N 2.82Å
171K85.5Confident89.4Confident108 Ų10843.9 Ų43.947%0.4721%0.21SC..THydrogen-bonded Turntrans-88.1-9.4177.4-66.6-163.7176.6-170.90113.9Y146 C169Y146-K171 HydrophobicContact CD1-CD 4.41Å; Y146-K171 HydrophobicContact CD2-CD 4.43Å; Y146-K171 HydrophobicContact CE1-CD 4.49Å; Y146-K171 VanDerWaalsContact CE1-CE 3.46Å; Y146-K171 HydrophobicContact CG-CD 4.38Å; Y146-K171 PolarHBondContact OH-NZ 3.03Å; Y146-K171 VanDerWaalsContact OH-NZ 3.13Å; C169-K171 PolarHBondContact O-N 3.23Å
172I88.3Confident89.3Confident6 Ų642.2 Ų42.23%0.03120%0.202CC..SBendtrans-108.1126.2-176-69.6159.1000108.5F147 F166 C169 P174 I177 Y225F147-I172 HydrophobicContact CE1-CD1 4.32Å; F166-I172 HydrophobicContact CD1-CD1 4.1Å; F166-I172 HydrophobicContact CD2-CD1 3.56Å; F166-I172 HydrophobicContact CE1-CD1 3.85Å; F166-I172 HydrophobicContact CE1-CG2 4.33Å; F166-I172 HydrophobicContact CE2-CD1 3.25Å; F166-I172 HydrophobicContact CE2-CG1 4.42Å; F166-I172 HydrophobicContact CG-CD1 3.97Å; F166-I172 HydrophobicContact CZ-CD1 3.42Å; F166-I172 VanDerWaalsContact CZ-CD1 3.42Å; F166-I172 HydrophobicContact CZ-CG1 4.25Å; F166-I172 WeakPolarHBondContact O-CD1 3.31Å; C169-I172 HydrophobicContact CB-CD1 4.12Å; C169-I172 PolarHBondContact O-N 3.1Å; C169-I172 VanDerWaalsContact O-N 3.09Å; I172-P174 VanDerWaalsContact O-CD 3.23Å; I172-P174 WeakPolarHBondContact O-CD 3.3Å; I172-I177 HydrophobicContact CG2-CD1 3.65Å; I172-Y225 HydrophobicContact CG1-CD1 4.42Å; I172-Y225 HydrophobicContact CG2-CD2 4.26Å; I172-Y225 HydrophobicContact CG2-CE2 4.02Å
173C86.8Confident89.2Confident65 Ų6543.9 Ų43.944%0.43921%0.21SC..  trans-86.1104172.6-63.40000108.6N175 L176 Y225C173-N175 PolarHBondContact O-N 2.8Å; C173-N175 VanDerWaalsContact O-N 3.15Å; C173-L176 HydrophobicContact CB-CD1 3.98Å; C173-L176 HydrophobicContact CB-CG 4Å; C173-L176 PolarHBondContact O-N 3.41Å; C173-L176 VanDerWaalsContact O-N 3.09Å; C173-Y225 WeakPolarHBondContact CB-OH 3.27Å; C173-Y225 PolarHBondContact N-OH 3.39Å
174P83.1Confident89.1Confident10 Ų1043.9 Ų43.97%0.06521%0.21CC..G310 helixtrans-64.4-24.3-175.229.1-37000112.2N26 Q27 L167 I172 L176 I177N26-P174 HydrophobicContact CB-CG 3.87Å; N26-P174 WeakPolarHBondContact O-CG 3.32Å; Q27-P174 HydrophobicContact CB-CG 4.42Å; Q27-P174 HydrophobicContact CG-CB 3.78Å; Q27-P174 HydrophobicContact CG-CG 3.68Å; L167-P174 HydrophobicContact CD2-CB 3.98Å; I172-P174 VanDerWaalsContact O-CD 3.23Å; I172-P174 WeakPolarHBondContact O-CD 3.3Å; P174-L176 PolarHBondContact O-N 3.5Å; P174-I177 PolarHBondContact O-N 2.82Å; P174-I177 VanDerWaalsContact O-N 3.17Å
175N82.9Confident89.1Confident87 Ų8742.8 Ų42.847%0.46520%0.204SC..G310 helixtrans-72.1-4178.5-63.2-11000113.9Q27 I29 C173Q27-N175 WeakPolarHBondContact CA-OD1 3.37Å; Q27-N175 PolarHBondContact O-ND2 2.83Å; Q27-N175 PolarHBondContact O-OD1 2.87Å; I29-N175 PolarHBondContact O-ND2 3.25Å; C173-N175 PolarHBondContact O-N 2.8Å; C173-N175 VanDerWaalsContact O-N 3.15Å
176L85.2Confident89.1Confident96 Ų9642.8 Ų42.850%0.50320%0.204SC..G310 helixtrans-102.2-3172.7-58.3-177.3000113.4C173 P174 I229C173-L176 HydrophobicContact CB-CD1 3.98Å; C173-L176 HydrophobicContact CB-CG 4Å; C173-L176 PolarHBondContact O-N 3.41Å; C173-L176 VanDerWaalsContact O-N 3.09Å; P174-L176 PolarHBondContact O-N 3.5Å; L176-I229 HydrophobicContact CB-CG2 3.78Å; L176-I229 HydrophobicContact CD1-CG2 3.86Å; L176-I229 HydrophobicContact CG-CG2 4.45Å
177I87.8Confident89.1Confident15 Ų1544 Ų448%0.07721%0.211CC..SBendtrans-139129.8-176.449172000112.9F166 I172 P174 W181 I182 Y225 I229F166-I177 HydrophobicContact CE1-CD1 3.83Å; I172-I177 HydrophobicContact CG2-CD1 3.65Å; P174-I177 PolarHBondContact O-N 2.82Å; P174-I177 VanDerWaalsContact O-N 3.17Å; I177-W181 HydrophobicContact CB-CD2 4.23Å; I177-W181 HydrophobicContact CB-CE3 3.91Å; I177-W181 HydrophobicContact CD1-CE3 4.3Å; I177-W181 HydrophobicContact CD1-CZ3 4.25Å; I177-W181 HydrophobicContact CG2-CD2 3.72Å; I177-W181 HydrophobicContact CG2-CE3 3.61Å; I177-W181 HydrophobicContact CG2-CG 4.33Å; I177-W181 HydrophobicContact CG2-CH2 4.37Å; I177-W181 HydrophobicContact CG2-CZ2 4.41Å; I177-W181 HydrophobicContact CG2-CZ3 3.97Å; I177-I182 HydrophobicContact CD1-CD1 3.93Å; I177-I182 HydrophobicContact CD1-CG1 4.01Å; I177-Y225 HydrophobicContact CD1-CD2 4.03Å; I177-Y225 HydrophobicContact CD1-CE2 4.23Å; I177-Y225 HydrophobicContact CG1-CE2 4.43Å; I177-Y225 HydrophobicContact CG2-CD2 3.78Å; I177-Y225 HydrophobicContact CG2-CE2 3.99Å; I177-I229 HydrophobicContact CG2-CD1 3.95Å; I177-I229 HydrophobicContact CG2-CG1 3.82Å
178T85.6Confident89.2Confident54 Ų5443.5 Ų43.533%0.33121%0.208SC..  trans-76.9156.817571.60000111.4G180 W181 I182 D330T178-G180 PolarHBondContact O-N 3.4Å; T178-G180 PolarHBondContact OG1-N 3.17Å; T178-W181 WeakPolarHBondContact O-CB 3.5Å; T178-W181 PolarHBondContact O-N 2.75Å; T178-W181 VanDerWaalsContact O-N 3.11Å; T178-W181 PolarHBondContact OG1-N 3.08Å; T178-I182 PolarHBondContact O-N 3.14Å; T178-D330 WeakPolarHBondContact CG2-OD2 3.49Å
179R86.2Confident89.4Confident135 Ų13543 Ų4351%0.50920%0.204SC..Hα-helixtrans-54.4-40.9169.2-173.9174.3175.5121.820.4111.8W181 I182 E183R179-W181 PolarHBondContact O-N 2.75Å; R179-I182 PolarHBondContact O-N 3.13Å; R179-E183 HydrophobicContact CG-CG 4.33Å; R179-E183 IonicContact CZ-OE1 3.18Å; R179-E183 IonicContact NE-OE1 3.25Å; R179-E183 PolarHBondContact NE-OE1 3.47Å; R179-E183 IonicContact NH2-OE1 2.68Å; R179-E183 PolarHBondContact NH2-OE1 3.01Å; R179-E183 WeakPolarHBondContact O-CB 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.44Å; R179-E183 PolarHBondContact O-N 3.2Å
180G87.6Confident89.7Confident12 Ų1242.8 Ų42.812%0.12420%0.203CC..Hα-helixtrans-61.8-37.6175.900000113.8T178 E183 N184T178-G180 PolarHBondContact O-N 3.4Å; T178-G180 PolarHBondContact OG1-N 3.17Å; G180-E183 PolarHBondContact O-N 3.27Å; G180-N184 WeakPolarHBondContact O-CB 3.17Å; G180-N184 PolarHBondContact O-N 3.41Å
181W91.2Very high90.1Very high18 Ų1833.2 Ų33.27%0.06817%0.167CC..Hα-helixtrans-59.8-47.2174.3-179.295.2000111.2F166 I177 T178 R179 H185 R224 E228 I229F166-W181 HydrophobicContact CE1-CZ3 4.17Å; F166-W181 HydrophobicContact CZ-CZ3 4.43Å; I177-W181 HydrophobicContact CB-CD2 4.23Å; I177-W181 HydrophobicContact CB-CE3 3.91Å; I177-W181 HydrophobicContact CD1-CE3 4.3Å; I177-W181 HydrophobicContact CD1-CZ3 4.25Å; I177-W181 HydrophobicContact CG2-CD2 3.72Å; I177-W181 HydrophobicContact CG2-CE3 3.61Å; I177-W181 HydrophobicContact CG2-CG 4.33Å; I177-W181 HydrophobicContact CG2-CH2 4.37Å; I177-W181 HydrophobicContact CG2-CZ2 4.41Å; I177-W181 HydrophobicContact CG2-CZ3 3.97Å; T178-W181 WeakPolarHBondContact O-CB 3.5Å; T178-W181 PolarHBondContact O-N 2.75Å; T178-W181 VanDerWaalsContact O-N 3.11Å; T178-W181 PolarHBondContact OG1-N 3.08Å; R179-W181 PolarHBondContact O-N 2.75Å; W181-H185 AromaticContact CD1-CD2 3.97Å; W181-H185 AromaticContact CD1-NE2 3.07Å; W181-H185 AromaticContact CD2-CD2 3.5Å; W181-H185 VanDerWaalsContact CD2-CD2 3.5Å; W181-H185 AromaticContact CD2-NE2 3.69Å; W181-H185 AromaticContact CE2-CD2 3.22Å; W181-H185 AromaticContact CE2-NE2 2.85Å; W181-H185 AromaticContact CE3-CD2 3.94Å; W181-H185 AromaticContact CG-CD2 3.98Å; W181-H185 AromaticContact CG-NE2 3.8Å; W181-H185 AromaticContact CH2-CD2 3.82Å; W181-H185 AromaticContact CZ2-CD2 3.4Å; W181-H185 VanDerWaalsContact CZ2-CD2 3.4Å; W181-H185 WeakPolarHBondContact CZ2-CD2 3.46Å; W181-H185 AromaticContact CZ2-NE2 3.32Å; W181-H185 VanDerWaalsContact CZ2-NE2 3.32Å; W181-H185 WeakPolarHBondContact CZ2-NE2 3.42Å; W181-H185 AromaticContact NE1-CD2 3.55Å; W181-H185 AromaticContact NE1-NE2 2.39Å; W181-H185 PolarHBondContact NE1-NE2 2.92Å; W181-H185 PolarHBondContact O-CD2 3.11Å; W181-H185 VanDerWaalsContact O-CD2 3.24Å; W181-H185 PolarHBondContact O-N 2.96Å; W181-H185 VanDerWaalsContact O-N 3.12Å; W181-R224 HydrophobicContact CH2-CB 4.15Å; W181-R224 HydrophobicContact CZ2-CB 4.27Å; W181-E228 PolarHBondContact NE1-OE2 3.43Å; W181-I229 HydrophobicContact CZ2-CG1 4.34Å
182I92.6Very high90.4Very high1 Ų131.2 Ų31.21%0.00516%0.158CC..Hα-helixtrans-66.1-45.3178.6-51.1168.6000110.3I163 F166 L167 I177 T178 R179 H185 Y186I163-I182 HydrophobicContact CG1-CG2 3.95Å; I163-I182 HydrophobicContact CG2-CG2 4.44Å; F166-I182 HydrophobicContact CD1-CD1 4.23Å; F166-I182 HydrophobicContact CD1-CG1 4.39Å; F166-I182 HydrophobicContact CD1-CG2 4.09Å; F166-I182 HydrophobicContact CE1-CG1 4.38Å; L167-I182 HydrophobicContact CD1-CD1 4.21Å; L167-I182 HydrophobicContact CD2-CD1 3.58Å; L167-I182 HydrophobicContact CG-CD1 3.86Å; I177-I182 HydrophobicContact CD1-CD1 3.93Å; I177-I182 HydrophobicContact CD1-CG1 4.01Å; T178-I182 PolarHBondContact O-N 3.14Å; R179-I182 PolarHBondContact O-N 3.13Å; I182-H185 PolarHBondContact O-N 2.78Å; I182-Y186 VanDerWaalsContact O-CB 3.31Å; I182-Y186 WeakPolarHBondContact O-CB 3.46Å; I182-Y186 PolarHBondContact O-N 3.37Å
183E92.4Very high90.6Very high34 Ų3431 Ų3116%0.15916%0.157CC..Hα-helixtrans-66.2-40.9-177.3-71.2-164.1-166.800112.8K159 I163 R179 G180 L187K159-E183 VanDerWaalsContact CE-CG 3.49Å; K159-E183 WeakPolarHBondContact CE-OE2 3.31Å; K159-E183 IonicContact NZ-OE2 3.21Å; K159-E183 PolarHBondContact NZ-OE2 3.23Å; I163-E183 HydrophobicContact CD1-CG 3.62Å; R179-E183 HydrophobicContact CG-CG 4.33Å; R179-E183 IonicContact CZ-OE1 3.18Å; R179-E183 IonicContact NE-OE1 3.25Å; R179-E183 PolarHBondContact NE-OE1 3.47Å; R179-E183 IonicContact NH2-OE1 2.68Å; R179-E183 PolarHBondContact NH2-OE1 3.01Å; R179-E183 WeakPolarHBondContact O-CB 3.43Å; R179-E183 WeakPolarHBondContact O-CG 3.44Å; R179-E183 PolarHBondContact O-N 3.2Å; G180-E183 PolarHBondContact O-N 3.27Å; E183-L187 VanDerWaalsContact O-CG 3.28Å; E183-L187 WeakPolarHBondContact O-CG 3.17Å; E183-L187 PolarHBondContact O-N 3.2Å; E183-L187 VanDerWaalsContact O-N 3.1Å
184N92.9Very high90.7Very high1 Ų127.9 Ų27.91%0.00514%0.136CC..Hα-helixtrans-60.5-50.1171.4161.465.8000111.8G180 Y186 L187 Q188 W273G180-N184 WeakPolarHBondContact O-CB 3.17Å; G180-N184 PolarHBondContact O-N 3.41Å; N184-Y186 PolarHBondContact O-N 3.29Å; N184-L187 PolarHBondContact O-N 3.13Å; N184-Q188 VanDerWaalsContact O-CG 3.24Å; N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.2Å; N184-W273 PolarHBondContact ND2-O 3.19Å
185H94.4Very high90.9Very high0 Ų029.6 Ų29.60%015%0.146CC..Hα-helixtrans-67.9-35.7-177.4-73.8-41.6000112.5W181 I182 Q188 I189 L221 R224 E228 W273 Y274W181-H185 AromaticContact CD1-CD2 3.97Å; W181-H185 AromaticContact CD1-NE2 3.07Å; W181-H185 AromaticContact CD2-CD2 3.5Å; W181-H185 VanDerWaalsContact CD2-CD2 3.5Å; W181-H185 AromaticContact CD2-NE2 3.69Å; W181-H185 AromaticContact CE2-CD2 3.22Å; W181-H185 AromaticContact CE2-NE2 2.85Å; W181-H185 AromaticContact CE3-CD2 3.94Å; W181-H185 AromaticContact CG-CD2 3.98Å; W181-H185 AromaticContact CG-NE2 3.8Å; W181-H185 AromaticContact CH2-CD2 3.82Å; W181-H185 AromaticContact CZ2-CD2 3.4Å; W181-H185 VanDerWaalsContact CZ2-CD2 3.4Å; W181-H185 WeakPolarHBondContact CZ2-CD2 3.46Å; W181-H185 AromaticContact CZ2-NE2 3.32Å; W181-H185 VanDerWaalsContact CZ2-NE2 3.32Å; W181-H185 WeakPolarHBondContact CZ2-NE2 3.42Å; W181-H185 AromaticContact NE1-CD2 3.55Å; W181-H185 AromaticContact NE1-NE2 2.39Å; W181-H185 PolarHBondContact NE1-NE2 2.92Å; W181-H185 PolarHBondContact O-CD2 3.11Å; W181-H185 VanDerWaalsContact O-CD2 3.24Å; W181-H185 PolarHBondContact O-N 2.96Å; W181-H185 VanDerWaalsContact O-N 3.12Å; I182-H185 PolarHBondContact O-N 2.78Å; H185-Q188 PolarHBondContact O-N 3.25Å; H185-I189 WeakPolarHBondContact O-CD1 3.21Å; H185-I189 VanDerWaalsContact O-CG1 3.23Å; H185-I189 WeakPolarHBondContact O-CG1 3.48Å; H185-I189 PolarHBondContact O-N 2.85Å; H185-L221 HydrophobicContact CB-CD2 3.91Å; H185-R224 PolarHBondContact ND1-NH1 2.89Å; H185-E228 IonicContact CE1-OE2 2.72Å; H185-E228 IonicContact NE2-OE2 3.78Å; H185-E228 PolarHBondContact NE2-OE2 2.88Å; H185-W273 WeakPolarHBondContact CE1-CA 3.27Å; H185-W273 WeakPolarHBondContact CE1-CB 3.39Å; H185-W273 AromaticContact CE1-CE3 3.53Å; H185-W273 PolarHBondContact CE1-O 3.22Å; H185-W273 PolarHBondContact ND1-O 3.18Å; H185-Y274 AromaticContact CE1-CD2 3.81Å; H185-Y274 AromaticContact CE1-CE2 3.45Å; H185-Y274 VanDerWaalsContact CE1-CE2 3.45Å; H185-Y274 WeakPolarHBondContact CE1-CE2 3.44Å; H185-Y274 AromaticContact CE1-CZ 3.8Å; H185-Y274 AromaticContact NE2-CZ 3.84Å; H185-Y274 PolarHBondContact NE2-OH 3.49Å
186Y95.5Very high90.9Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-57.4-49.7170.5175.8-92.9000111.2K159 I162 I182 N184 Q188 I189 M190 V217K159-Y186 HydrophobicContact CB-CD1 4.24Å; K159-Y186 HydrophobicContact CB-CE1 3.6Å; K159-Y186 HydrophobicContact CD-CD1 4.11Å; K159-Y186 HydrophobicContact CD-CE1 4.17Å; K159-Y186 HydrophobicContact CG-CD1 3.81Å; K159-Y186 HydrophobicContact CG-CE1 3.72Å; K159-Y186 PolarHBondContact N-OH 3.38Å; I162-Y186 HydrophobicContact CB-CD2 4.3Å; I162-Y186 HydrophobicContact CB-CE2 3.9Å; I162-Y186 HydrophobicContact CG1-CE2 4.05Å; I162-Y186 HydrophobicContact CG2-CD2 3.74Å; I162-Y186 HydrophobicContact CG2-CE2 3.76Å; I182-Y186 VanDerWaalsContact O-CB 3.31Å; I182-Y186 WeakPolarHBondContact O-CB 3.46Å; I182-Y186 PolarHBondContact O-N 3.37Å; N184-Y186 PolarHBondContact O-N 3.29Å; Y186-Q188 VanDerWaalsContact C-N 3.34Å; Y186-Q188 PolarHBondContact O-N 2.79Å; Y186-I189 PolarHBondContact O-N 2.85Å; Y186-M190 HydrophobicContact CD1-CG 4.09Å; Y186-M190 HydrophobicContact CD2-CG 4.13Å; Y186-M190 HydrophobicContact CE1-CB 4.48Å; Y186-M190 HydrophobicContact CE1-CG 3.64Å; Y186-M190 HydrophobicContact CE2-CG 3.69Å; Y186-M190 HydrophobicContact CE2-SD 4.21Å; Y186-M190 HydrophobicContact CG-CG 4.32Å; Y186-M190 VanDerWaalsContact CZ-CG 3.43Å; Y186-M190 WeakPolarHBondContact O-CB 3.21Å; Y186-M190 WeakPolarHBondContact O-CG 3.48Å; Y186-M190 PolarHBondContact O-N 3.08Å; Y186-V217 HydrophobicContact CD2-CG1 3.96Å; Y186-V217 HydrophobicContact CE2-CG1 4.07Å
187L94.7Very high90.9Very high25 Ų2521.4 Ų21.413%0.13110%0.103CC..Hα-helixtrans-58.1-44.8177.1-71.4170000111.7L114 A117 D118 E183 N184 I189 M190 W191L114-L187 HydrophobicContact CD1-CB 3.78Å; L114-L187 VanDerWaalsContact CD1-O 3.27Å; L114-L187 WeakPolarHBondContact CD1-O 3.27Å; L114-L187 HydrophobicContact CG-CB 4.5Å; A117-L187 HydrophobicContact CB-CD2 4.19Å; D118-L187 HydrophobicContact CB-CD2 3.85Å; E183-L187 VanDerWaalsContact O-CG 3.28Å; E183-L187 WeakPolarHBondContact O-CG 3.17Å; E183-L187 PolarHBondContact O-N 3.2Å; E183-L187 VanDerWaalsContact O-N 3.1Å; N184-L187 PolarHBondContact O-N 3.13Å; L187-I189 PolarHBondContact O-N 2.88Å; L187-M190 PolarHBondContact O-N 3.07Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.47Å; L187-W191 PolarHBondContact O-N 2.78Å
188Q94.9Very high90.5Very high7 Ų722.5 Ų22.53%0.03311%0.109CC..Hα-helixtrans-64.9-39.1179.8-61.8-90.15.100112.2L114 N184 H185 Y186 K192 T270L114-Q188 HydrophobicContact CD1-CG 4.36Å; N184-Q188 VanDerWaalsContact O-CG 3.24Å; N184-Q188 WeakPolarHBondContact O-CG 3.41Å; N184-Q188 PolarHBondContact O-N 3.2Å; H185-Q188 PolarHBondContact O-N 3.25Å; Y186-Q188 VanDerWaalsContact C-N 3.34Å; Y186-Q188 PolarHBondContact O-N 2.79Å; Q188-K192 WeakPolarHBondContact O-CB 3.34Å; Q188-K192 PolarHBondContact O-N 2.83Å; Q188-T270 PolarHBondContact NE2-OG1 3.02Å; Q188-T270 PolarHBondContact OE1-OG1 3.46Å
189I95.9Very high90.1Very high0 Ų025.4 Ų25.40%012%0.122CC..Hα-helixtrans-68-49175.9-66161.3000110.2H185 Y186 L187 W191 K192 I193 V217 E220 L221H185-I189 WeakPolarHBondContact O-CD1 3.21Å; H185-I189 VanDerWaalsContact O-CG1 3.23Å; H185-I189 WeakPolarHBondContact O-CG1 3.48Å; H185-I189 PolarHBondContact O-N 2.85Å; Y186-I189 PolarHBondContact O-N 2.85Å; L187-I189 PolarHBondContact O-N 2.88Å; I189-W191 PolarHBondContact O-N 3.16Å; I189-K192 WeakPolarHBondContact O-CB 3.43Å; I189-K192 PolarHBondContact O-N 2.73Å; I189-I193 HydrophobicContact CG2-CD1 3.61Å; I189-I193 HydrophobicContact CG2-CG1 4.35Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.09Å; I189-V217 HydrophobicContact CG2-CB 4.36Å; I189-V217 HydrophobicContact CG2-CG1 3.95Å; I189-V217 HydrophobicContact CG2-CG2 4.25Å; I189-E220 HydrophobicContact CD1-CB 3.69Å; I189-E220 HydrophobicContact CG1-CB 4.07Å; I189-E220 HydrophobicContact CG2-CB 4.21Å; I189-L221 HydrophobicContact CD1-CD2 3.7Å; I189-L221 HydrophobicContact CD1-CG 3.74Å
190M94.7Very high89.5Confident0 Ų021.6 Ų21.60%011%0.108CC..Hα-helixtrans-66.1-37.6-179.5-70.5-56-74.700113A117 L120 W122 Y186 L187 K192 I193 G194 V217A117-M190 HydrophobicContact CB-CB 4.02Å; A117-M190 WeakPolarHBondContact O-CB 3.33Å; L120-M190 HydrophobicContact CB-CE 3.51Å; L120-M190 HydrophobicContact CD1-CE 4.04Å; L120-M190 HydrophobicContact CG-CE 4.44Å; W122-M190 HydrophobicContact CH2-CE 3.47Å; W122-M190 VanDerWaalsContact CH2-CE 3.47Å; W122-M190 HydrophobicContact CH2-SD 3.55Å; W122-M190 VanDerWaalsContact CH2-SD 3.55Å; W122-M190 HydrophobicContact CZ2-CE 3.9Å; W122-M190 HydrophobicContact CZ2-SD 4.11Å; W122-M190 HydrophobicContact CZ3-CE 4.1Å; W122-M190 HydrophobicContact CZ3-SD 4.49Å; Y186-M190 HydrophobicContact CD1-CG 4.09Å; Y186-M190 HydrophobicContact CD2-CG 4.13Å; Y186-M190 HydrophobicContact CE1-CB 4.48Å; Y186-M190 HydrophobicContact CE1-CG 3.64Å; Y186-M190 HydrophobicContact CE2-CG 3.69Å; Y186-M190 HydrophobicContact CE2-SD 4.21Å; Y186-M190 HydrophobicContact CG-CG 4.32Å; Y186-M190 VanDerWaalsContact CZ-CG 3.43Å; Y186-M190 WeakPolarHBondContact O-CB 3.21Å; Y186-M190 WeakPolarHBondContact O-CG 3.48Å; Y186-M190 PolarHBondContact O-N 3.08Å; L187-M190 PolarHBondContact O-N 3.07Å; M190-K192 VanDerWaalsContact C-N 3.3Å; M190-K192 PolarHBondContact O-N 2.92Å; M190-I193 PolarHBondContact O-N 3.13Å; M190-G194 PolarHBondContact O-N 3.44Å; M190-V217 HydrophobicContact SD-CG1 4.28Å; M190-V217 HydrophobicContact SD-CG2 3.76Å
191W93.5Very high88.8Confident24 Ų2422.7 Ų22.79%0.09111%0.114CC..Hα-helixtrans-62.1-42175.2-175.441.3000110.9W112 L114 A117 L187 I189 T195 T270 V295W112-W191 AromaticContact CE2-CD1 3.75Å; W112-W191 AromaticContact CZ2-CD1 3.88Å; W112-W191 WeakPolarHBondContact CZ2-O 3.4Å; W112-W191 AromaticContact NE1-CD1 3.6Å; W112-W191 AromaticContact NE1-NE1 3.83Å; L114-W191 HydrophobicContact CB-CB 4.49Å; L114-W191 HydrophobicContact CB-CD2 3.88Å; L114-W191 HydrophobicContact CB-CE3 3.97Å; L114-W191 HydrophobicContact CB-CG 4.12Å; L114-W191 HydrophobicContact CD1-CB 3.65Å; L114-W191 HydrophobicContact CD1-CD2 4.24Å; L114-W191 HydrophobicContact CD1-CE3 4.03Å; L114-W191 HydrophobicContact CD1-CG 4.13Å; L114-W191 HydrophobicContact CG-CE3 4.4Å; A117-W191 HydrophobicContact CB-CB 3.92Å; L187-W191 VanDerWaalsContact O-CB 3.26Å; L187-W191 WeakPolarHBondContact O-CB 3.47Å; L187-W191 PolarHBondContact O-N 2.78Å; I189-W191 PolarHBondContact O-N 3.16Å; W191-T195 VanDerWaalsContact O-CB 3.27Å; W191-T195 WeakPolarHBondContact O-CB 3.37Å; W191-T195 PolarHBondContact O-N 2.74Å; W191-T195 PolarHBondContact O-OG1 3Å; W191-T270 HydrophobicContact CZ3-CG2 3.98Å; W191-V295 HydrophobicContact CZ2-CG1 3.95Å
192K93.1Very high87.6Confident66 Ų6629.1 Ų29.129%0.28715%0.149SC..Hα-helixtrans-66-48.8175.3-176.2-166.569.7176.30112.1Q188 I189 M190 T195 I196 Y211 E220Q188-K192 WeakPolarHBondContact O-CB 3.34Å; Q188-K192 PolarHBondContact O-N 2.83Å; I189-K192 WeakPolarHBondContact O-CB 3.43Å; I189-K192 PolarHBondContact O-N 2.73Å; M190-K192 VanDerWaalsContact C-N 3.3Å; M190-K192 PolarHBondContact O-N 2.92Å; K192-T195 PolarHBondContact O-N 2.84Å; K192-I196 HydrophobicContact CG-CD1 3.98Å; K192-I196 WeakPolarHBondContact O-CD1 3.48Å; K192-I196 WeakPolarHBondContact O-CG1 3.41Å; K192-I196 PolarHBondContact O-N 2.92Å; K192-Y211 VanDerWaalsContact CE-OH 3.31Å; K192-Y211 WeakPolarHBondContact CE-OH 3.33Å; K192-E220 IonicContact NZ-OE1 2.86Å; K192-E220 PolarHBondContact NZ-OE1 2.87Å; K192-E220 IonicContact NZ-OE2 3.66Å; K192-E220 PolarHBondContact NZ-OE2 3.36Å
193I90.6Very high86.2Confident0 Ų031.4 Ų31.40%016%0.161CC..Hα-helixtrans-63.9-47.6-178.6-71.8173.4000110.9I189 M190 T195 I196 A197 Y211 C212 V217I189-I193 HydrophobicContact CG2-CD1 3.61Å; I189-I193 HydrophobicContact CG2-CG1 4.35Å; I189-I193 WeakPolarHBondContact O-CG1 3.31Å; I189-I193 PolarHBondContact O-N 3.09Å; M190-I193 PolarHBondContact O-N 3.13Å; I193-T195 PolarHBondContact O-N 2.9Å; I193-I196 PolarHBondContact O-N 3.05Å; I193-I196 VanDerWaalsContact O-N 3.11Å; I193-A197 PolarHBondContact O-N 3.29Å; I193-Y211 HydrophobicContact CG1-CE1 3.97Å; I193-C212 HydrophobicContact CG2-CB 3.95Å; I193-V217 HydrophobicContact CD1-CG2 3.65Å
194G88.9Confident84.5Confident1 Ų133.4 Ų33.41%0.0118%0.178CC..Hα-helixtrans-60.5-42.4174.900000112.3M190 I196 A197 L198M190-G194 PolarHBondContact O-N 3.44Å; G194-I196 VanDerWaalsContact C-N 3.26Å; G194-I196 PolarHBondContact O-N 3.41Å; G194-A197 PolarHBondContact O-N 3.08Å; G194-A197 VanDerWaalsContact O-N 3.16Å; G194-L198 WeakPolarHBondContact O-CB 3.49Å; G194-L198 WeakPolarHBondContact O-CG 3.31Å; G194-L198 PolarHBondContact O-N 3.38Å
195T87.6Confident83.2Confident45 Ų4537.4 Ų37.428%0.27621%0.206SC..Hα-helixtrans-59.4-37174.4-56.30000112.2W112 W191 K192 I193 L199W112-T195 PolarHBondContact NE1-OG1 3.39Å; W191-T195 VanDerWaalsContact O-CB 3.27Å; W191-T195 WeakPolarHBondContact O-CB 3.37Å; W191-T195 PolarHBondContact O-N 2.74Å; W191-T195 PolarHBondContact O-OG1 3Å; K192-T195 PolarHBondContact O-N 2.84Å; I193-T195 PolarHBondContact O-N 2.9Å; T195-L199 HydrophobicContact CG2-CD1 3.82Å; T195-L199 HydrophobicContact CG2-CG 4.38Å; T195-L199 WeakPolarHBondContact O-CB 3.44Å; T195-L199 VanDerWaalsContact O-CG 3.27Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 3.25Å
196I84.5Confident81.8Confident11 Ų1141.4 Ų41.46%0.05623%0.231CC..Hα-helixtrans-71.7-41.9175.8-69.5160.9000111L51 L52 K192 I193 G194 L198 L199 Y200 L208 Y211L51-I196 HydrophobicContact CD2-CG2 4.32Å; L52-I196 HydrophobicContact CD1-CD1 3.78Å; L52-I196 HydrophobicContact CD1-CG1 4.18Å; K192-I196 HydrophobicContact CG-CD1 3.98Å; K192-I196 WeakPolarHBondContact O-CD1 3.48Å; K192-I196 WeakPolarHBondContact O-CG1 3.41Å; K192-I196 PolarHBondContact O-N 2.92Å; I193-I196 PolarHBondContact O-N 3.05Å; I193-I196 VanDerWaalsContact O-N 3.11Å; G194-I196 VanDerWaalsContact C-N 3.26Å; G194-I196 PolarHBondContact O-N 3.41Å; I196-L198 PolarHBondContact O-N 2.94Å; I196-L199 PolarHBondContact O-N 3.26Å; I196-Y200 HydrophobicContact CG2-CD2 4.01Å; I196-Y200 WeakPolarHBondContact O-CB 3.45Å; I196-Y200 WeakPolarHBondContact O-CD2 3.3Å; I196-Y200 PolarHBondContact O-N 2.88Å; I196-Y200 VanDerWaalsContact O-N 3.09Å; I196-L208 HydrophobicContact CG2-CD1 4.25Å; I196-Y211 HydrophobicContact CB-CE1 4.08Å; I196-Y211 HydrophobicContact CD1-CE1 3.48Å; I196-Y211 VanDerWaalsContact CD1-CE1 3.48Å; I196-Y211 HydrophobicContact CG1-CE1 4.38Å; I196-Y211 HydrophobicContact CG2-CD1 3.84Å; I196-Y211 HydrophobicContact CG2-CE1 3.79Å
197A83.8Confident80.5Confident0 Ų045.5 Ų45.50%025%0.252CS..Hα-helixtrans-60.5-33.8174.900000112.9L98 P99 L102 I193 G194 S201L98-A197 HydrophobicContact CD2-CB 3.81Å; P99-A197 HydrophobicContact CG-CB 4.48Å; L102-A197 HydrophobicContact CD2-CB 4.25Å; I193-A197 PolarHBondContact O-N 3.29Å; G194-A197 PolarHBondContact O-N 3.08Å; G194-A197 VanDerWaalsContact O-N 3.16Å; A197-S201 PolarHBondContact O-N 2.6Å
198L80.6Confident79.5Confident38 Ų3844.5 Ų44.520%0.19925%0.247CC..Hα-helixtrans-81.7-35.4179.2-67.1174.2000113.6L96 L98 W112 G194 I196L96-L198 HydrophobicContact CB-CD2 3.62Å; L96-L198 HydrophobicContact CD1-CD2 3.87Å; L96-L198 HydrophobicContact CD2-CD2 4.19Å; L96-L198 HydrophobicContact CG-CD2 4.09Å; L98-L198 HydrophobicContact CD2-CD2 3.8Å; L98-L198 HydrophobicContact CD2-CG 4.24Å; L98-L198 HydrophobicContact CG-CD2 4.35Å; W112-L198 HydrophobicContact CB-CD1 4.2Å; W112-L198 HydrophobicContact CD2-CD1 3.92Å; W112-L198 HydrophobicContact CG-CD1 3.65Å; G194-L198 WeakPolarHBondContact O-CB 3.49Å; G194-L198 WeakPolarHBondContact O-CG 3.31Å; G194-L198 PolarHBondContact O-N 3.38Å; I196-L198 PolarHBondContact O-N 2.94Å
199L76.8Confident78.6Confident116 Ų11645.9 Ų45.961%0.60726%0.257SS*.Hα-helixtrans-82.9-17.1-180-72.8174.5000114T195 I196T195-L199 HydrophobicContact CG2-CD1 3.82Å; T195-L199 HydrophobicContact CG2-CG 4.38Å; T195-L199 WeakPolarHBondContact O-CB 3.44Å; T195-L199 VanDerWaalsContact O-CG 3.27Å; T195-L199 WeakPolarHBondContact O-CG 3.42Å; T195-L199 PolarHBondContact O-N 3.25Å; I196-L199 PolarHBondContact O-N 3.26Å
200Y74.2Confident77.8Confident54 Ų5450.8 Ų50.821%0.21228%0.283CS..  trans-132.131.5-173.9-57.6-70.6000112.3I196 D202 L203 L208 W359I196-Y200 HydrophobicContact CG2-CD2 4.01Å; I196-Y200 WeakPolarHBondContact O-CB 3.45Å; I196-Y200 WeakPolarHBondContact O-CD2 3.3Å; I196-Y200 PolarHBondContact O-N 2.88Å; I196-Y200 VanDerWaalsContact O-N 3.09Å; Y200-D202 PolarHBondContact O-N 3.08Å; Y200-D202 VanDerWaalsContact O-N 3.16Å; Y200-L203 WeakPolarHBondContact O-CB 3.34Å; Y200-L203 PolarHBondContact O-N 3.09Å; Y200-L203 VanDerWaalsContact O-N 3.08Å; Y200-L208 WeakPolarHBondContact O-CD2 3.44Å; Y200-W359 VanDerWaalsContact OH-CH2 3.31Å; Y200-W359 WeakPolarHBondContact OH-CH2 3.47Å
201S71.6Confident77.3Confident35 Ų3551.4 Ų51.425%0.24529%0.286CS..THydrogen-bonded Turntrans-49.4-37.2174.947.20000113.3H97 A197 L203H97-S201 VanDerWaalsContact O-CB 3.31Å; H97-S201 WeakPolarHBondContact O-CB 3.43Å; A197-S201 PolarHBondContact O-N 2.6Å; S201-L203 VanDerWaalsContact C-N 3.29Å; S201-L203 PolarHBondContact O-N 2.83Å
202D65.7Low77Confident153 Ų15350.4 Ų50.482%0.81828%0.282SS*.THydrogen-bonded Turntrans-87.4-2.9-171.8-47-8.8000112Y200Y200-D202 PolarHBondContact O-N 3.08Å; Y200-D202 VanDerWaalsContact O-N 3.16Å
203L63.1Low76.8Confident50 Ų5047.9 Ų47.926%0.26227%0.274SS..SBendtrans-75165.9175.3-144.175.8000110.5I55 W76 Y200 S201 S205I55-L203 HydrophobicContact CD1-CD2 4.47Å; W76-L203 HydrophobicContact CH2-CD1 4.33Å; Y200-L203 WeakPolarHBondContact O-CB 3.34Å; Y200-L203 PolarHBondContact O-N 3.09Å; Y200-L203 VanDerWaalsContact O-N 3.08Å; S201-L203 VanDerWaalsContact C-N 3.29Å; S201-L203 PolarHBondContact O-N 2.83Å; L203-S205 PolarHBondContact O-N 2.97Å
204C57.7Low76.9Confident76 Ų7648.5 Ų48.551%0.51428%0.277SS..  trans-53.9116.2-178.4-170.50000111.3T206 L207 L208C204-T206 PolarHBondContact O-N 3.26Å; C204-T206 VanDerWaalsContact O-N 3.15Å; C204-T206 PolarHBondContact SG-OG1 3.32Å; C204-L207 HydrophobicContact CB-CD1 4.31Å; C204-L207 PolarHBondContact O-N 3.27Å; C204-L208 PolarHBondContact O-N 3.36Å
205S65.5Low77Confident84 Ų8449.9 Ų49.959%0.58728%0.284SS*.Hα-helixtrans-65.1-24.6-163.457.70000114.1L203 C209L203-S205 PolarHBondContact O-N 2.97Å; S205-C209 WeakPolarHBondContact O-CB 3.2Å; S205-C209 PolarHBondContact O-N 3.04Å; S205-C209 PolarHBondContact O-SG 2.89Å
206T65.2Low77.2Confident84 Ų8449.5 Ų49.552%0.51528%0.279SS..Hα-helixtrans-65.2-56.3173.449.90000111.6C204 L208 C209 D210C204-T206 PolarHBondContact O-N 3.26Å; C204-T206 VanDerWaalsContact O-N 3.15Å; C204-T206 PolarHBondContact SG-OG1 3.32Å; T206-L208 PolarHBondContact O-N 2.85Å; T206-L208 VanDerWaalsContact O-N 3.16Å; T206-C209 WeakPolarHBondContact O-CA 3.25Å; T206-C209 WeakPolarHBondContact O-CB 3.25Å; T206-C209 PolarHBondContact O-N 2.76Å; T206-D210 PolarHBondContact O-N 2.98Å
207L67.2Low77.7Confident87 Ų8749 Ų4946%0.45528%0.277SS..Hα-helixtrans-54.6-35.3176.6-86159.3000112.7L51 C204 Y211L51-L207 HydrophobicContact CD1-CB 4.11Å; L51-L207 HydrophobicContact CD1-CD2 4.04Å; C204-L207 HydrophobicContact CB-CD1 4.31Å; C204-L207 PolarHBondContact O-N 3.27Å; L207-Y211 WeakPolarHBondContact O-CB 3.36Å; L207-Y211 PolarHBondContact O-N 2.89Å
208L74.6Confident78.2Confident4 Ų449 Ų492%0.02128%0.277CS..Hα-helixtrans-75.8-39.4175.1-16266.7000112.4L51 P99 I196 Y200 C204 T206 D210 C212L51-L208 HydrophobicContact CD2-CD1 4.13Å; P99-L208 HydrophobicContact CG-CD2 3.89Å; P99-L208 HydrophobicContact CG-CG 3.99Å; I196-L208 HydrophobicContact CG2-CD1 4.25Å; Y200-L208 WeakPolarHBondContact O-CD2 3.44Å; C204-L208 PolarHBondContact O-N 3.36Å; T206-L208 PolarHBondContact O-N 2.85Å; T206-L208 VanDerWaalsContact O-N 3.16Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.03Å; L208-C212 WeakPolarHBondContact O-CB 3.42Å; L208-C212 PolarHBondContact O-N 3.21Å; L208-C212 PolarHBondContact O-SG 2.91Å
209C76.2Confident78.9Confident35 Ų3550.1 Ų50.124%0.23628%0.283CS..Hα-helixtrans-62.7-37.4174.8-75.70000112.9S205 T206 C212 A213S205-C209 WeakPolarHBondContact O-CB 3.2Å; S205-C209 PolarHBondContact O-N 3.04Å; S205-C209 PolarHBondContact O-SG 2.89Å; T206-C209 WeakPolarHBondContact O-CA 3.25Å; T206-C209 WeakPolarHBondContact O-CB 3.25Å; T206-C209 PolarHBondContact O-N 2.76Å; C209-C212 CarbonylContact O-C 3.58Å; C209-A213 PolarHBondContact O-N 2.93Å
210D78.5Confident79.7Confident103 Ų10346 Ų4655%0.55126%0.261SS*.Hα-helixtrans-74.7-42.9179.9-62.9-28.9000111.3T206 L208 C212 A213T206-D210 PolarHBondContact O-N 2.98Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.03Å; D210-C212 VanDerWaalsContact C-N 3.29Å; D210-C212 PolarHBondContact O-N 2.92Å; D210-A213 VanDerWaalsContact O-CB 3.29Å; D210-A213 WeakPolarHBondContact O-CB 3.3Å; D210-A213 PolarHBondContact O-N 3.14Å
211Y83.8Confident80.7Confident14 Ų1443.5 Ų43.56%0.05525%0.251CS..Hα-helixtrans-63.2-36.2173.6-174.8-102.6000112.6L51 K192 I193 I196 L207 A213 H216L51-Y211 HydrophobicContact CB-CD1 4.38Å; L51-Y211 HydrophobicContact CB-CD2 3.48Å; L51-Y211 VanDerWaalsContact CB-CD2 3.48Å; L51-Y211 HydrophobicContact CB-CE2 4.17Å; L51-Y211 HydrophobicContact CB-CG 3.63Å; L51-Y211 HydrophobicContact CD2-CD1 4.21Å; L51-Y211 HydrophobicContact CD2-CG 3.98Å; L51-Y211 HydrophobicContact CG-CG 4.47Å; K192-Y211 VanDerWaalsContact CE-OH 3.31Å; K192-Y211 WeakPolarHBondContact CE-OH 3.33Å; I193-Y211 HydrophobicContact CG1-CE1 3.97Å; I196-Y211 HydrophobicContact CB-CE1 4.08Å; I196-Y211 HydrophobicContact CD1-CE1 3.48Å; I196-Y211 VanDerWaalsContact CD1-CE1 3.48Å; I196-Y211 HydrophobicContact CG1-CE1 4.38Å; I196-Y211 HydrophobicContact CG2-CD1 3.84Å; I196-Y211 HydrophobicContact CG2-CE1 3.79Å; L207-Y211 WeakPolarHBondContact O-CB 3.36Å; L207-Y211 PolarHBondContact O-N 2.89Å; Y211-A213 VanDerWaalsContact C-N 3.32Å; Y211-H216 AromaticContact CD2-CD2 3.81Å; Y211-H216 AromaticContact CD2-NE2 3.51Å; Y211-H216 AromaticContact CE2-CD2 3.61Å; Y211-H216 AromaticContact CE2-CE1 4Å; Y211-H216 AromaticContact CE2-NE2 3.04Å; Y211-H216 WeakPolarHBondContact CE2-NE2 3.44Å; Y211-H216 AromaticContact CZ-NE2 3.75Å; Y211-H216 WeakPolarHBondContact O-CB 3.23Å; Y211-H216 PolarHBondContact O-CD2 2.96Å
212C88Confident81.8Confident3 Ų343.3 Ų43.32%0.0225%0.246CC..THydrogen-bonded Turntrans-90.215.8178.2-56.30000113.4L102 W122 I193 L208 C209 D210L102-C212 HydrophobicContact CD2-CB 4.15Å; W122-C212 PolarHBondContact NE1-O 3.4Å; I193-C212 HydrophobicContact CG2-CB 3.95Å; L208-C212 WeakPolarHBondContact O-CB 3.42Å; L208-C212 PolarHBondContact O-N 3.21Å; L208-C212 PolarHBondContact O-SG 2.91Å; C209-C212 CarbonylContact O-C 3.58Å; D210-C212 VanDerWaalsContact C-N 3.29Å; D210-C212 PolarHBondContact O-N 2.92Å
213A88.6Confident83.2Confident13 Ų1341.2 Ų41.211%0.10723%0.227CC..SBendtrans-77150.8-178.100000112.8C209 D210 Y211 I215 H216C209-A213 PolarHBondContact O-N 2.93Å; D210-A213 VanDerWaalsContact O-CB 3.29Å; D210-A213 WeakPolarHBondContact O-CB 3.3Å; D210-A213 PolarHBondContact O-N 3.14Å; Y211-A213 VanDerWaalsContact C-N 3.32Å; A213-I215 HydrophobicContact CB-CG2 4.04Å; A213-I215 PolarHBondContact O-N 3.43Å; A213-H216 WeakPolarHBondContact O-CB 3.33Å; A213-H216 PolarHBondContact O-N 3.42Å
214P92.5Very high84.7Confident12 Ų1239.6 Ų39.68%0.07822%0.218CC..Hα-helixtrans-51.8-39.9176.4-28.134.1000114.1W122 L124 L149 I162 H216 V217 L218W122-P214 HydrophobicContact CB-CG 4.33Å; W122-P214 HydrophobicContact CD2-CB 4.49Å; W122-P214 HydrophobicContact CD2-CG 3.69Å; W122-P214 HydrophobicContact CE3-CG 4.12Å; W122-P214 HydrophobicContact CG-CG 3.78Å; L124-P214 HydrophobicContact CD1-CG 4.19Å; L149-P214 HydrophobicContact CD1-CB 3.57Å; I162-P214 HydrophobicContact CD1-CB 4.07Å; P214-H216 VanDerWaalsContact C-N 3.29Å; P214-H216 PolarHBondContact O-N 2.88Å; P214-V217 WeakPolarHBondContact O-CB 3.3Å; P214-V217 PolarHBondContact O-N 3Å; P214-V217 VanDerWaalsContact O-N 3.15Å; P214-L218 PolarHBondContact O-N 2.81Å; P214-L218 VanDerWaalsContact O-N 3.14Å
215I91.5Very high86.5Confident30 Ų3036 Ų3615%0.15419%0.194CC..Hα-helixtrans-65.5-27.7177.4-176.152.8000113.1F144 F147 A213 V217 L218 N219F144-I215 HydrophobicContact CB-CB 4.07Å; F144-I215 HydrophobicContact CB-CD1 3.55Å; F144-I215 HydrophobicContact CB-CG1 3.85Å; F144-I215 HydrophobicContact CD1-CB 4.04Å; F144-I215 HydrophobicContact CD1-CG1 4.46Å; F144-I215 HydrophobicContact CD1-CG2 4.28Å; F144-I215 HydrophobicContact CG-CB 4.07Å; F144-I215 HydrophobicContact CG-CD1 4.45Å; F144-I215 HydrophobicContact CG-CG1 4.37Å; F147-I215 HydrophobicContact CD2-CD1 3.83Å; F147-I215 HydrophobicContact CE2-CD1 4.34Å; A213-I215 HydrophobicContact CB-CG2 4.04Å; A213-I215 PolarHBondContact O-N 3.43Å; I215-V217 VanDerWaalsContact C-N 3.29Å; I215-V217 PolarHBondContact O-N 3.01Å; I215-L218 HydrophobicContact CD1-CB 4.33Å; I215-L218 PolarHBondContact O-N 3.2Å; I215-N219 VanDerWaalsContact CD1-OD1 3.32Å; I215-N219 WeakPolarHBondContact CD1-OD1 3.47Å; I215-N219 VanDerWaalsContact O-CB 3.3Å; I215-N219 WeakPolarHBondContact O-CB 3.41Å; I215-N219 PolarHBondContact O-N 2.95Å
216H91.4Very high87.8Confident37 Ų3734.8 Ų34.817%0.17118%0.181CC..Hα-helixtrans-67.5-35.1174.4-163.257.2000111.3Y211 A213 P214 E220Y211-H216 AromaticContact CD2-CD2 3.81Å; Y211-H216 AromaticContact CD2-NE2 3.51Å; Y211-H216 AromaticContact CE2-CD2 3.61Å; Y211-H216 AromaticContact CE2-CE1 4Å; Y211-H216 AromaticContact CE2-NE2 3.04Å; Y211-H216 WeakPolarHBondContact CE2-NE2 3.44Å; Y211-H216 AromaticContact CZ-NE2 3.75Å; Y211-H216 WeakPolarHBondContact O-CB 3.23Å; Y211-H216 PolarHBondContact O-CD2 2.96Å; A213-H216 WeakPolarHBondContact O-CB 3.33Å; A213-H216 PolarHBondContact O-N 3.42Å; P214-H216 VanDerWaalsContact C-N 3.29Å; P214-H216 PolarHBondContact O-N 2.88Å; H216-E220 IonicContact CD2-OE1 3.19Å; H216-E220 IonicContact NE2-OE1 2.69Å; H216-E220 PolarHBondContact NE2-OE1 3Å; H216-E220 PolarHBondContact O-N 3.09Å
217V94.8Very high89.2Confident0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-69.1-45.9176-174.70000111.5W122 I162 Y186 I189 M190 I193 P214 I215 N219 E220 L221W122-V217 HydrophobicContact CH2-CG2 3.78Å; W122-V217 HydrophobicContact CZ2-CG2 3.96Å; I162-V217 HydrophobicContact CG2-CG1 4.2Å; Y186-V217 HydrophobicContact CD2-CG1 3.96Å; Y186-V217 HydrophobicContact CE2-CG1 4.07Å; I189-V217 HydrophobicContact CG2-CB 4.36Å; I189-V217 HydrophobicContact CG2-CG1 3.95Å; I189-V217 HydrophobicContact CG2-CG2 4.25Å; M190-V217 HydrophobicContact SD-CG1 4.28Å; M190-V217 HydrophobicContact SD-CG2 3.76Å; I193-V217 HydrophobicContact CD1-CG2 3.65Å; P214-V217 WeakPolarHBondContact O-CB 3.3Å; P214-V217 PolarHBondContact O-N 3Å; P214-V217 VanDerWaalsContact O-N 3.15Å; I215-V217 VanDerWaalsContact C-N 3.29Å; I215-V217 PolarHBondContact O-N 3.01Å; V217-N219 PolarHBondContact O-N 3.37Å; V217-E220 PolarHBondContact O-N 3.43Å; V217-L221 HydrophobicContact CG1-CD1 4.39Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å; V217-L221 PolarHBondContact O-N 3.48Å
218L95.2Very high90.4Very high0 Ų030.4 Ų30.40%015%0.149CC..Hα-helixtrans-61.5-42.8176.1-71.8163.7000111.9F147 L149 I162 F166 P214 I215 L221 H222F147-L218 HydrophobicContact CB-CD1 3.88Å; F147-L218 HydrophobicContact CD1-CB 4.4Å; F147-L218 HydrophobicContact CD1-CD2 4.06Å; F147-L218 HydrophobicContact CD2-CB 3.88Å; F147-L218 HydrophobicContact CD2-CD1 4.34Å; F147-L218 HydrophobicContact CE1-CB 4.42Å; F147-L218 HydrophobicContact CE1-CD2 4.36Å; F147-L218 HydrophobicContact CE2-CB 3.89Å; F147-L218 HydrophobicContact CG-CB 4.14Å; F147-L218 HydrophobicContact CG-CD1 4.02Å; F147-L218 HydrophobicContact CG-CD2 4.34Å; F147-L218 HydrophobicContact CG-CG 4.4Å; F147-L218 HydrophobicContact CZ-CB 4.16Å; L149-L218 HydrophobicContact CD1-CD1 3.76Å; L149-L218 HydrophobicContact CG-CD1 4.03Å; I162-L218 HydrophobicContact CD1-CD1 4.36Å; I162-L218 HydrophobicContact CD1-CG 4.15Å; I162-L218 HydrophobicContact CG2-CD2 4.02Å; I162-L218 HydrophobicContact CG2-CG 4.45Å; F166-L218 HydrophobicContact CB-CD2 4.06Å; F166-L218 HydrophobicContact CD2-CD2 4.42Å; P214-L218 PolarHBondContact O-N 2.81Å; P214-L218 VanDerWaalsContact O-N 3.14Å; I215-L218 HydrophobicContact CD1-CB 4.33Å; I215-L218 PolarHBondContact O-N 3.2Å; L218-L221 PolarHBondContact O-N 2.88Å; L218-H222 PolarHBondContact O-N 3.09Å
219N94.2Very high91.1Very high63 Ų6332.1 Ų32.134%0.33716%0.158SC..Hα-helixtrans-65.9-36.4175.5-72.1-5.8000112.4I215 V217 H222 Y223I215-N219 VanDerWaalsContact CD1-OD1 3.32Å; I215-N219 WeakPolarHBondContact CD1-OD1 3.47Å; I215-N219 VanDerWaalsContact O-CB 3.3Å; I215-N219 WeakPolarHBondContact O-CB 3.41Å; I215-N219 PolarHBondContact O-N 2.95Å; V217-N219 PolarHBondContact O-N 3.37Å; N219-H222 PolarHBondContact O-N 3.28Å; N219-Y223 WeakPolarHBondContact O-CB 3.23Å; N219-Y223 PolarHBondContact O-N 3.36Å
220E94.6Very high91.7Very high30 Ų3035.5 Ų35.514%0.1417%0.17CC..Hα-helixtrans-72.1-32.6173.7-83.1-156.6-148.400113.7I189 K192 H216 V217 R224I189-E220 HydrophobicContact CD1-CB 3.69Å; I189-E220 HydrophobicContact CG1-CB 4.07Å; I189-E220 HydrophobicContact CG2-CB 4.21Å; K192-E220 IonicContact NZ-OE1 2.86Å; K192-E220 PolarHBondContact NZ-OE1 2.87Å; K192-E220 IonicContact NZ-OE2 3.66Å; K192-E220 PolarHBondContact NZ-OE2 3.36Å; H216-E220 IonicContact CD2-OE1 3.19Å; H216-E220 IonicContact NE2-OE1 2.69Å; H216-E220 PolarHBondContact NE2-OE1 3Å; H216-E220 PolarHBondContact O-N 3.09Å; V217-E220 PolarHBondContact O-N 3.43Å; E220-R224 VanDerWaalsContact O-CG 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.16Å; E220-R224 PolarHBondContact O-N 3.18Å
221L95.7Very high92.3Very high0 Ų034.3 Ų34.30%017%0.166CC..Hα-helixtrans-64.9-42.6170.5-73.8169.9000111I162 F166 H185 I189 V217 L218 R224 Y225I162-L221 HydrophobicContact CG2-CD1 3.86Å; F166-L221 HydrophobicContact CD2-CB 3.72Å; F166-L221 HydrophobicContact CD2-CD1 4.28Å; F166-L221 HydrophobicContact CE2-CB 3.39Å; F166-L221 HydrophobicContact CG-CB 4.42Å; F166-L221 HydrophobicContact CG-CD1 4.37Å; F166-L221 HydrophobicContact CZ-CB 3.82Å; H185-L221 HydrophobicContact CB-CD2 3.91Å; I189-L221 HydrophobicContact CD1-CD2 3.7Å; I189-L221 HydrophobicContact CD1-CG 3.74Å; V217-L221 HydrophobicContact CG1-CD1 4.39Å; V217-L221 WeakPolarHBondContact O-CG 3.36Å; V217-L221 PolarHBondContact O-N 3.48Å; L218-L221 PolarHBondContact O-N 2.88Å; L221-R224 PolarHBondContact O-N 2.84Å; L221-Y225 PolarHBondContact O-N 2.86Å
222H94.4Very high92.6Very high32 Ų3237.9 Ų37.915%0.14819%0.193CC..Hα-helixtrans-63.5-48.8176.8-162.8-65.2000110.8F147 F166 L218 N219 R224 Y225 D226F147-H222 HydrophobicContact CZ-CB 4.15Å; F147-H222 AromaticContact CZ-CD2 3.81Å; F166-H222 HydrophobicContact CE2-CB 4.3Å; L218-H222 PolarHBondContact O-N 3.09Å; N219-H222 PolarHBondContact O-N 3.28Å; H222-R224 PolarHBondContact O-N 2.96Å; H222-Y225 CarbonylContact O-C 3.54Å; H222-Y225 WeakPolarHBondContact O-CA 3.37Å; H222-Y225 WeakPolarHBondContact O-CB 3.3Å; H222-Y225 PolarHBondContact O-N 3.03Å; H222-D226 IonicContact CE1-OD1 2.77Å; H222-D226 PolarHBondContact CE1-OD1 3.46Å; H222-D226 IonicContact CE1-OD2 3.16Å; H222-D226 IonicContact CG-OD2 2.73Å; H222-D226 VanDerWaalsContact ND1-CG 3.25Å; H222-D226 IonicContact ND1-OD1 2.87Å; H222-D226 PolarHBondContact ND1-OD1 2.92Å; H222-D226 IonicContact ND1-OD2 3.53Å; H222-D226 PolarHBondContact ND1-OD2 2.92Å; H222-D226 PolarHBondContact O-N 2.91Å; H222-D226 VanDerWaalsContact O-OD2 3.07Å
223Y95.1Very high92.8Very high108 Ų10842 Ų4242%0.42421%0.211SC..Hα-helixtrans-57.3-32.3174.1165.6-94000113.4N219 R227N219-Y223 WeakPolarHBondContact O-CB 3.23Å; N219-Y223 PolarHBondContact O-N 3.36Å; Y223-R227 HydrophobicContact CD2-CG 4.4Å; Y223-R227 VanDerWaalsContact CE2-CD 3.44Å; Y223-R227 HydrophobicContact CE2-CG 4.1Å; Y223-R227 VanDerWaalsContact O-CB 3.24Å; Y223-R227 WeakPolarHBondContact O-CB 3.46Å; Y223-R227 VanDerWaalsContact O-CG 3.28Å; Y223-R227 WeakPolarHBondContact O-CG 3.28Å; Y223-R227 PolarHBondContact O-N 2.96Å; Y223-R227 VanDerWaalsContact OH-CD 3.22Å; Y223-R227 WeakPolarHBondContact OH-CD 3.45Å; Y223-R227 PolarHBondContact OH-NH1 2.86Å
224R95.3Very high93Very high16 Ų1645.2 Ų45.26%0.0622%0.221CC..Hα-helixtrans-71.9-39.1172.6-74.4176.5-174.5-112.1-3.8112.1W181 H185 E220 L221 H222 R227 E228 G272 W273W181-R224 HydrophobicContact CH2-CB 4.15Å; W181-R224 HydrophobicContact CZ2-CB 4.27Å; H185-R224 PolarHBondContact ND1-NH1 2.89Å; E220-R224 VanDerWaalsContact O-CG 3.3Å; E220-R224 WeakPolarHBondContact O-CG 3.16Å; E220-R224 PolarHBondContact O-N 3.18Å; L221-R224 PolarHBondContact O-N 2.84Å; H222-R224 PolarHBondContact O-N 2.96Å; R224-R227 PolarHBondContact O-N 2.87Å; R224-E228 WeakPolarHBondContact O-CB 3.49Å; R224-E228 PolarHBondContact O-N 2.93Å; R224-G272 PolarHBondContact NH1-O 2.69Å; R224-G272 PolarHBondContact NH2-O 3.36Å; R224-W273 HydrophobicContact CB-CH2 4.36Å; R224-W273 HydrophobicContact CB-CZ3 3.89Å; R224-W273 HydrophobicContact CG-CE3 4.24Å; R224-W273 HydrophobicContact CG-CH2 3.93Å; R224-W273 HydrophobicContact CG-CZ3 3.7Å
225Y94.6Very high93.1Very high1 Ų145.4 Ų45.40%0.00422%0.222CC..Hα-helixtrans-62.9-53.5174.9176.3-89.8000110.8I172 C173 I177 L221 H222 R227 E228 I229 E230I172-Y225 HydrophobicContact CG1-CD1 4.42Å; I172-Y225 HydrophobicContact CG2-CD2 4.26Å; I172-Y225 HydrophobicContact CG2-CE2 4.02Å; C173-Y225 WeakPolarHBondContact CB-OH 3.27Å; C173-Y225 PolarHBondContact N-OH 3.39Å; I177-Y225 HydrophobicContact CD1-CD2 4.03Å; I177-Y225 HydrophobicContact CD1-CE2 4.23Å; I177-Y225 HydrophobicContact CG1-CE2 4.43Å; I177-Y225 HydrophobicContact CG2-CD2 3.78Å; I177-Y225 HydrophobicContact CG2-CE2 3.99Å; L221-Y225 PolarHBondContact O-N 2.86Å; H222-Y225 CarbonylContact O-C 3.54Å; H222-Y225 WeakPolarHBondContact O-CA 3.37Å; H222-Y225 WeakPolarHBondContact O-CB 3.3Å; H222-Y225 PolarHBondContact O-N 3.03Å; Y225-R227 PolarHBondContact O-N 3.23Å; Y225-R227 VanDerWaalsContact O-N 3.15Å; Y225-E228 PolarHBondContact O-N 2.72Å; Y225-I229 HydrophobicContact CD2-CB 4.23Å; Y225-I229 HydrophobicContact CD2-CG1 3.89Å; Y225-I229 HydrophobicContact CE2-CB 4.23Å; Y225-I229 HydrophobicContact CE2-CG1 4.19Å; Y225-I229 HydrophobicContact CE2-CG2 4.13Å; Y225-I229 HydrophobicContact CG-CG1 4.46Å; Y225-I229 WeakPolarHBondContact O-CA 3.28Å; Y225-I229 VanDerWaalsContact O-CB 3.31Å; Y225-I229 WeakPolarHBondContact O-CB 3.11Å; Y225-I229 PolarHBondContact O-N 2.57Å; Y225-E230 HydrophobicContact CD1-CG 4.01Å; Y225-E230 HydrophobicContact CE1-CG 3.52Å; Y225-E230 WeakPolarHBondContact CE1-OE1 3.26Å; Y225-E230 PolarHBondContact O-N 2.87Å; Y225-E230 PolarHBondContact OH-OE1 3.23Å
226D93.3Very high93.3Very high59 Ų5944.3 Ų44.332%0.31622%0.218SC..Iπ-helixtrans-54-38.2177-56.5-35.8000111.9H222 T231H222-D226 IonicContact CE1-OD1 2.77Å; H222-D226 PolarHBondContact CE1-OD1 3.46Å; H222-D226 IonicContact CE1-OD2 3.16Å; H222-D226 IonicContact CG-OD2 2.73Å; H222-D226 VanDerWaalsContact ND1-CG 3.25Å; H222-D226 IonicContact ND1-OD1 2.87Å; H222-D226 PolarHBondContact ND1-OD1 2.92Å; H222-D226 IonicContact ND1-OD2 3.53Å; H222-D226 PolarHBondContact ND1-OD2 2.92Å; H222-D226 PolarHBondContact O-N 2.91Å; H222-D226 VanDerWaalsContact O-OD2 3.07Å; D226-T231 WeakPolarHBondContact O-CB 3.39Å; D226-T231 WeakPolarHBondContact O-CG2 3.35Å; D226-T231 PolarHBondContact O-N 2.66Å; D226-T231 PolarHBondContact O-OG1 3.09Å
227R93.3Very high93.5Very high68 Ų6842.6 Ų42.626%0.25721%0.21SC..Iπ-helixtrans-81-46.9-177.7-80.8-163.862.7124.414.9114.6Y223 R224 Y225 T231 Q233 W273Y223-R227 HydrophobicContact CD2-CG 4.4Å; Y223-R227 VanDerWaalsContact CE2-CD 3.44Å; Y223-R227 HydrophobicContact CE2-CG 4.1Å; Y223-R227 VanDerWaalsContact O-CB 3.24Å; Y223-R227 WeakPolarHBondContact O-CB 3.46Å; Y223-R227 VanDerWaalsContact O-CG 3.28Å; Y223-R227 WeakPolarHBondContact O-CG 3.28Å; Y223-R227 PolarHBondContact O-N 2.96Å; Y223-R227 VanDerWaalsContact OH-CD 3.22Å; Y223-R227 WeakPolarHBondContact OH-CD 3.45Å; Y223-R227 PolarHBondContact OH-NH1 2.86Å; R224-R227 PolarHBondContact O-N 2.87Å; Y225-R227 PolarHBondContact O-N 3.23Å; Y225-R227 VanDerWaalsContact O-N 3.15Å; R227-T231 WeakPolarHBondContact CA-OG1 3.42Å; R227-T231 PolarHBondContact O-OG1 3.02Å; R227-Q233 VanDerWaalsContact CZ-OE1 3.29Å; R227-Q233 WeakPolarHBondContact O-CA 3.3Å; R227-Q233 VanDerWaalsContact O-CB 3.3Å; R227-Q233 WeakPolarHBondContact O-CB 3.33Å; R227-Q233 PolarHBondContact O-N 2.71Å; R227-W273 HydrophobicContact CB-CH2 3.96Å
228E92.5Very high93.4Very high11 Ų1144 Ų445%0.05122%0.215CC..Iπ-helixtrans-85.3-38.3-173.7-175.4165.5-152.600112.3W181 H185 R224 Y225 C232 W273 Y274W181-E228 PolarHBondContact NE1-OE2 3.43Å; H185-E228 IonicContact CE1-OE2 2.72Å; H185-E228 IonicContact NE2-OE2 3.78Å; H185-E228 PolarHBondContact NE2-OE2 2.88Å; R224-E228 WeakPolarHBondContact O-CB 3.49Å; R224-E228 PolarHBondContact O-N 2.93Å; Y225-E228 PolarHBondContact O-N 2.72Å; E228-C232 WeakPolarHBondContact O-CA 3.29Å; E228-W273 HydrophobicContact CB-CZ3 4.27Å; E228-Y274 WeakPolarHBondContact OE1-CE2 3.23Å; E228-Y274 VanDerWaalsContact OE1-CZ 3.26Å; E228-Y274 PolarHBondContact OE1-OH 2.97Å; E228-Y274 PolarHBondContact OE2-OH 2.84Å
229I89.9Confident93.4Very high39 Ų3946.9 Ų46.920%0.223%0.228CC..Iπ-helixtrans-92.4-74.2-175.1-48.1-57.8000109.1L176 I177 W181 Y225 T231 C232L176-I229 HydrophobicContact CB-CG2 3.78Å; L176-I229 HydrophobicContact CD1-CG2 3.86Å; L176-I229 HydrophobicContact CG-CG2 4.45Å; I177-I229 HydrophobicContact CG2-CD1 3.95Å; I177-I229 HydrophobicContact CG2-CG1 3.82Å; W181-I229 HydrophobicContact CZ2-CG1 4.34Å; Y225-I229 HydrophobicContact CD2-CB 4.23Å; Y225-I229 HydrophobicContact CD2-CG1 3.89Å; Y225-I229 HydrophobicContact CE2-CB 4.23Å; Y225-I229 HydrophobicContact CE2-CG1 4.19Å; Y225-I229 HydrophobicContact CE2-CG2 4.13Å; Y225-I229 HydrophobicContact CG-CG1 4.46Å; Y225-I229 WeakPolarHBondContact O-CA 3.28Å; Y225-I229 VanDerWaalsContact O-CB 3.31Å; Y225-I229 WeakPolarHBondContact O-CB 3.11Å; Y225-I229 PolarHBondContact O-N 2.57Å; I229-T231 PolarHBondContact O-N 2.74Å; I229-C232 PolarHBondContact O-N 3.16Å; I229-C232 PolarHBondContact O-SG 2.82Å; I229-C232 VanDerWaalsContact O-SG 3.33Å
230E88.2Confident93.5Very high106 Ų10644 Ų4450%0.49521%0.212SC..Iπ-helixtrans-60.3-44.2-170.7-60.2-65155.900113.1Y225Y225-E230 HydrophobicContact CD1-CG 4.01Å; Y225-E230 HydrophobicContact CE1-CG 3.52Å; Y225-E230 WeakPolarHBondContact CE1-OE1 3.26Å; Y225-E230 PolarHBondContact O-N 2.87Å; Y225-E230 PolarHBondContact OH-OE1 3.23Å
231T91.4Very high93.4Very high78 Ų7842.6 Ų42.648%0.47921%0.206SC..THydrogen-bonded Turntrans-99.85.8178.461.10000114.5D226 R227 I229 Q233D226-T231 WeakPolarHBondContact O-CB 3.39Å; D226-T231 WeakPolarHBondContact O-CG2 3.35Å; D226-T231 PolarHBondContact O-N 2.66Å; D226-T231 PolarHBondContact O-OG1 3.09Å; R227-T231 WeakPolarHBondContact CA-OG1 3.42Å; R227-T231 PolarHBondContact O-OG1 3.02Å; I229-T231 PolarHBondContact O-N 2.74Å; T231-Q233 WeakPolarHBondContact O-CG 3.3Å; T231-Q233 PolarHBondContact O-N 3.49Å
232C90.3Very high93.2Very high90 Ų9044.5 Ų44.561%0.60822%0.215SC*.  trans53.621.6174.2-70.60000116.2E228 I229 R234E228-C232 WeakPolarHBondContact O-CA 3.29Å; I229-C232 PolarHBondContact O-N 3.16Å; I229-C232 PolarHBondContact O-SG 2.82Å; I229-C232 VanDerWaalsContact O-SG 3.33Å; C232-R234 PolarHBondContact O-N 3.03Å
233Q92.4Very high93Very high88 Ų8849.5 Ų49.541%0.41124%0.238SC..  trans-81.663.7-175-56.2-169.38.400112.5R227 T231R227-Q233 VanDerWaalsContact CZ-OE1 3.29Å; R227-Q233 WeakPolarHBondContact O-CA 3.3Å; R227-Q233 VanDerWaalsContact O-CB 3.3Å; R227-Q233 WeakPolarHBondContact O-CB 3.33Å; R227-Q233 PolarHBondContact O-N 2.71Å; T231-Q233 WeakPolarHBondContact O-CG 3.3Å; T231-Q233 PolarHBondContact O-N 3.49Å
234R91.8Very high92.9Very high82 Ų8249.4 Ų49.431%0.30925%0.245SC..  trans-51.5131.4-176.7-69.6179.3-76.4145.5-2.3113.2C232 R238 K239 E242 D244C232-R234 PolarHBondContact O-N 3.03Å; R234-R238 HydrophobicContact CB-CB 4.3Å; R234-R238 HydrophobicContact CB-CG 4.03Å; R234-R238 HydrophobicContact CG-CG 4.1Å; R234-K239 HydrophobicContact CB-CG 4.05Å; R234-K239 WeakPolarHBondContact O-CE 3.24Å; R234-E242 WeakPolarHBondContact CD-OE2 3.39Å; R234-E242 IonicContact CZ-OE2 2.84Å; R234-E242 IonicContact NE-OE2 3.73Å; R234-E242 IonicContact NH1-OE2 3.86Å; R234-E242 PolarHBondContact NH1-OE2 2.73Å; R234-D244 IonicContact CZ-OD2 3.88Å; R234-D244 IonicContact NH1-OD2 3.87Å; R234-D244 PolarHBondContact NH1-OD2 3.37Å; R234-D244 IonicContact NH2-OD2 2.69Å; R234-D244 PolarHBondContact NH2-OD2 2.79Å
235P94.8Very high92.8Very high15 Ų1550.2 Ų50.210%0.09725%0.25CS..  trans-73.7177-178.631.2-36.3000112.9R238 K239 W273 Y274P235-R238 HydrophobicContact CG-CB 3.78Å; P235-R238 WeakPolarHBondContact O-CB 3.37Å; P235-R238 PolarHBondContact O-N 3.06Å; P235-K239 PolarHBondContact O-N 3.11Å; P235-W273 HydrophobicContact CB-CB 3.74Å; P235-W273 HydrophobicContact CB-CD2 3.84Å; P235-W273 HydrophobicContact CB-CE3 4.42Å; P235-W273 HydrophobicContact CB-CG 3.49Å; P235-W273 VanDerWaalsContact CB-CG 3.49Å; P235-W273 HydrophobicContact CG-CB 3.55Å; P235-W273 HydrophobicContact CG-CD2 3.94Å; P235-W273 HydrophobicContact CG-CE3 4.1Å; P235-W273 HydrophobicContact CG-CG 3.71Å; P235-Y274 HydrophobicContact CG-CD2 3.79Å; P235-Y274 HydrophobicContact CG-CE2 3.76Å
236A96.3Very high92.8Very high8 Ų853.6 Ų53.67%0.06627%0.271CS..Hα-helixtrans-67-45.4-165.200000113.2R238 V240 L251 D271 F365A236-R238 VanDerWaalsContact C-N 3.35Å; A236-V240 WeakPolarHBondContact O-CG2 3.33Å; A236-V240 PolarHBondContact O-N 2.92Å; A236-V240 VanDerWaalsContact O-N 3.16Å; A236-L251 HydrophobicContact CB-CD2 4Å; A236-D271 PolarHBondContact N-OD2 3.35Å; A236-F365 HydrophobicContact CB-CD2 3.67Å; A236-F365 HydrophobicContact CB-CE2 3.78Å; A236-F365 HydrophobicContact CB-CG 4.11Å; A236-F365 HydrophobicContact CB-CZ 4.31Å
237L95.8Very high92.8Very high0 Ų051.5 Ų51.50%026%0.261CS..Hα-helixtrans-68.3-35.3176-72.7178.7000111.8V240 I241 L253 D271 Y274 I276L237-V240 PolarHBondContact O-N 3.33Å; L237-I241 HydrophobicContact CB-CD1 4.27Å; L237-I241 WeakPolarHBondContact O-CB 3.23Å; L237-I241 WeakPolarHBondContact O-CD1 3.49Å; L237-I241 VanDerWaalsContact O-CG1 3.25Å; L237-I241 WeakPolarHBondContact O-CG1 3.31Å; L237-I241 PolarHBondContact O-N 2.75Å; L237-L253 HydrophobicContact CD1-CD2 4.22Å; L237-L253 HydrophobicContact CD2-CD1 4.42Å; L237-L253 HydrophobicContact CD2-CD2 4.13Å; L237-L253 HydrophobicContact CG-CD2 4.13Å; L237-D271 HydrophobicContact CD1-CB 4.14Å; L237-D271 HydrophobicContact CG-CB 4.02Å; L237-D271 PolarHBondContact N-OD2 3Å; L237-Y274 WeakPolarHBondContact CD1-O 3.36Å; L237-I276 HydrophobicContact CD1-CB 4.48Å; L237-I276 HydrophobicContact CD1-CG2 4.03Å; L237-I276 HydrophobicContact CD2-CB 4.45Å; L237-I276 HydrophobicContact CD2-CG2 3.78Å
238R93.2Very high92.8Very high29 Ų2950.5 Ų50.511%0.10927%0.267CS..Hα-helixtrans-56.8-53.1174.9-169.384.5-160.1-1562.6110.8R234 P235 A236 V240 I241 E242 Y274 Y336R234-R238 HydrophobicContact CB-CB 4.3Å; R234-R238 HydrophobicContact CB-CG 4.03Å; R234-R238 HydrophobicContact CG-CG 4.1Å; P235-R238 HydrophobicContact CG-CB 3.78Å; P235-R238 WeakPolarHBondContact O-CB 3.37Å; P235-R238 PolarHBondContact O-N 3.06Å; A236-R238 VanDerWaalsContact C-N 3.35Å; R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.49Å; R238-I241 PolarHBondContact O-N 3.2Å; R238-E242 IonicContact CZ-OE1 3.97Å; R238-E242 IonicContact NE-OE1 3.56Å; R238-E242 PolarHBondContact NE-OE1 2.84Å; R238-E242 IonicContact NE-OE2 2.69Å; R238-E242 IonicContact NH2-OE1 3.5Å; R238-E242 PolarHBondContact NH2-OE1 2.87Å; R238-E242 WeakPolarHBondContact O-CB 3.12Å; R238-E242 WeakPolarHBondContact O-CG 3.37Å; R238-E242 PolarHBondContact O-N 3.5Å; R238-Y274 HydrophobicContact CB-CD2 4.22Å; R238-Y274 HydrophobicContact CB-CE2 4.14Å; R238-Y274 HydrophobicContact CG-CE2 4.37Å; R238-Y274 PolarHBondContact NH1-OH 3.13Å; R238-Y274 VanDerWaalsContact NH1-OH 3.08Å; R238-Y336 WeakPolarHBondContact CA-OH 3.48Å
239K95.2Very high92.7Very high62 Ų6255 Ų5527%0.2728%0.284SS..Hα-helixtrans-60.8-34.6176.5-67.3-165.8176.1-161.20113.8R234 P235 Q243 D244 D245R234-K239 HydrophobicContact CB-CG 4.05Å; R234-K239 WeakPolarHBondContact O-CE 3.24Å; P235-K239 PolarHBondContact O-N 3.11Å; K239-Q243 PolarHBondContact O-N 3.16Å; K239-D244 PolarHBondContact O-N 3.08Å; K239-D245 HydrophobicContact CB-CB 3.9Å; K239-D245 PolarHBondContact O-N 2.97Å
240V94.9Very high92.8Very high1 Ų155.9 Ų55.91%0.00629%0.285CS..Hα-helixtrans-72.5-40177.8167.60000112.4A236 L237 R238 Q243 D245 P247 L306 F365A236-V240 WeakPolarHBondContact O-CG2 3.33Å; A236-V240 PolarHBondContact O-N 2.92Å; A236-V240 VanDerWaalsContact O-N 3.16Å; L237-V240 PolarHBondContact O-N 3.33Å; R238-V240 VanDerWaalsContact C-N 3.31Å; R238-V240 PolarHBondContact O-N 3.49Å; V240-Q243 PolarHBondContact O-N 2.87Å; V240-D245 WeakPolarHBondContact CA-O 3.41Å; V240-P247 HydrophobicContact CG1-CB 3.96Å; V240-L306 HydrophobicContact CG1-CD1 4.44Å; V240-L306 HydrophobicContact CG1-CD2 4.49Å; V240-F365 HydrophobicContact CG2-CE1 4.27Å; V240-F365 HydrophobicContact CG2-CZ 3.85Å
241I93Very high93.1Very high1 Ų150.9 Ų50.91%0.00526%0.261CS..Hα-helixtrans-73.3-39-178.9-69.3158.9000110.8L237 R238 Q243 I276 L335 Y336 A342 M345L237-I241 HydrophobicContact CB-CD1 4.27Å; L237-I241 WeakPolarHBondContact O-CB 3.23Å; L237-I241 WeakPolarHBondContact O-CD1 3.49Å; L237-I241 VanDerWaalsContact O-CG1 3.25Å; L237-I241 WeakPolarHBondContact O-CG1 3.31Å; L237-I241 PolarHBondContact O-N 2.75Å; R238-I241 PolarHBondContact O-N 3.2Å; I241-Q243 PolarHBondContact O-N 2.91Å; I241-I276 HydrophobicContact CD1-CD1 4.21Å; I241-I276 HydrophobicContact CG1-CD1 3.97Å; I241-L335 HydrophobicContact CG2-CB 4.47Å; I241-L335 HydrophobicContact CG2-CD2 4.42Å; I241-Y336 HydrophobicContact CD1-CE1 3.69Å; I241-Y336 VanDerWaalsContact CD1-OH 3.23Å; I241-Y336 WeakPolarHBondContact CD1-OH 3.17Å; I241-A342 HydrophobicContact CD1-CB 3.53Å; I241-A342 HydrophobicContact CG1-CB 4.1Å; I241-M345 HydrophobicContact CG2-SD 4.11Å; I241-M345 WeakPolarHBondContact O-CE 3.43Å
242E90.6Very high93.3Very high41 Ų4147.5 Ų47.519%0.19224%0.24CC..THydrogen-bonded Turntrans-74.4-2.9172.2-66.7173160.100113.3R234 R238 D244 L335R234-E242 WeakPolarHBondContact CD-OE2 3.39Å; R234-E242 IonicContact CZ-OE2 2.84Å; R234-E242 IonicContact NE-OE2 3.73Å; R234-E242 IonicContact NH1-OE2 3.86Å; R234-E242 PolarHBondContact NH1-OE2 2.73Å; R238-E242 IonicContact CZ-OE1 3.97Å; R238-E242 IonicContact NE-OE1 3.56Å; R238-E242 PolarHBondContact NE-OE1 2.84Å; R238-E242 IonicContact NE-OE2 2.69Å; R238-E242 IonicContact NH2-OE1 3.5Å; R238-E242 PolarHBondContact NH2-OE1 2.87Å; R238-E242 WeakPolarHBondContact O-CB 3.12Å; R238-E242 WeakPolarHBondContact O-CG 3.37Å; R238-E242 PolarHBondContact O-N 3.5Å; E242-D244 PolarHBondContact O-N 2.81Å; E242-L335 HydrophobicContact CG-CD1 4Å
243Q90.3Very high93.6Very high136 Ų13643.3 Ų43.364%0.63621%0.211SC*.THydrogen-bonded Turntrans65.610.7178.6-49.1-176.219.100115.8K239 V240 I241 D245K239-Q243 PolarHBondContact O-N 3.16Å; V240-Q243 PolarHBondContact O-N 2.87Å; I241-Q243 PolarHBondContact O-N 2.91Å; Q243-D245 VanDerWaalsContact C-N 3.3Å; Q243-D245 PolarHBondContact O-N 2.85Å
244D92.8Very high93.8Very high107 Ų10739.5 Ų39.557%0.57220%0.195SC*.SBendtrans-71.9-18173.9-94.85.3000113.7R234 K239 E242R234-D244 IonicContact CZ-OD2 3.88Å; R234-D244 IonicContact NH1-OD2 3.87Å; R234-D244 PolarHBondContact NH1-OD2 3.37Å; R234-D244 IonicContact NH2-OD2 2.69Å; R234-D244 PolarHBondContact NH2-OD2 2.79Å; K239-D244 PolarHBondContact O-N 3.08Å; E242-D244 PolarHBondContact O-N 2.81Å
245D94.3Very high94Very high33 Ų3335.6 Ų35.618%0.17618%0.18CC..SBendtrans-143.9155.8172.7-157.9-13.4000111.5K239 V240 Q243 R249 F365K239-D245 HydrophobicContact CB-CB 3.9Å; K239-D245 PolarHBondContact O-N 2.97Å; V240-D245 WeakPolarHBondContact CA-O 3.41Å; Q243-D245 VanDerWaalsContact C-N 3.3Å; Q243-D245 PolarHBondContact O-N 2.85Å; D245-R249 WeakPolarHBondContact OD1-CD 3.38Å; D245-R249 IonicContact OD1-NH1 3.28Å; D245-R249 IonicContact OD2-CZ 2.95Å; D245-R249 IonicContact OD2-NE 2.83Å; D245-R249 IonicContact OD2-NH1 2.92Å; D245-R249 PolarHBondContact OD2-NH1 3.1Å; D245-F365 HydrophobicContact CB-CE2 4.29Å; D245-F365 HydrophobicContact CB-CZ 3.9Å; D245-F365 WeakPolarHBondContact OD2-CE2 3.49Å; D245-F365 VanDerWaalsContact OD2-CZ 3.31Å; D245-F365 WeakPolarHBondContact OD2-CZ 3.47Å
246T94.2Very high94Very high71 Ų7135 Ų3544%0.43618%0.176SC..  trans-89.6135.3-170.4-173.80000113.3A248 R249T246-A248 HydrophobicContact CG2-CB 4.23Å; T246-A248 PolarHBondContact O-N 2.92Å; T246-A248 VanDerWaalsContact O-N 3.09Å; T246-A248 PolarHBondContact OG1-N 2.96Å; T246-R249 HydrophobicContact CG2-CG 3.81Å; T246-R249 PolarHBondContact O-N 2.86Å
247P94.3Very high93.9Very high16 Ų1638.4 Ų38.410%0.10419%0.187CC..THydrogen-bonded Turntrans-61.3-16.717229.4-39.9000113.2V240 R249 A304 L306 L347V240-P247 HydrophobicContact CG1-CB 3.96Å; P247-R249 PolarHBondContact O-N 2.73Å; P247-A304 CarbonylContact C-O 3.59Å; P247-A304 HydrophobicContact CB-CB 4.43Å; P247-A304 WeakPolarHBondContact CG-O 3.33Å; P247-L306 HydrophobicContact CG-CB 3.97Å; P247-L347 HydrophobicContact CB-CD1 3.67Å
248A92.2Very high93.7Very high47 Ų4740.1 Ų40.139%0.38820%0.196SC..THydrogen-bonded Turntrans-71-14.9-17900000113.8T246 G303 A304T246-A248 HydrophobicContact CG2-CB 4.23Å; T246-A248 PolarHBondContact O-N 2.92Å; T246-A248 VanDerWaalsContact O-N 3.09Å; T246-A248 PolarHBondContact OG1-N 2.96Å; A248-G303 PolarHBondContact O-N 2.81Å; A248-A304 PolarHBondContact N-O 2.57Å
249R91.3Very high93.6Very high105 Ų10540.2 Ų40.240%0.39620%0.199SC..SBendtrans-62.7159.2173.1-66.8-176.770.4166.17.2111D245 T246 P247 L251 F365D245-R249 WeakPolarHBondContact OD1-CD 3.38Å; D245-R249 IonicContact OD1-NH1 3.28Å; D245-R249 IonicContact OD2-CZ 2.95Å; D245-R249 IonicContact OD2-NE 2.83Å; D245-R249 IonicContact OD2-NH1 2.92Å; D245-R249 PolarHBondContact OD2-NH1 3.1Å; T246-R249 HydrophobicContact CG2-CG 3.81Å; T246-R249 PolarHBondContact O-N 2.86Å; P247-R249 PolarHBondContact O-N 2.73Å; R249-L251 PolarHBondContact O-N 3.08Å; R249-F365 HydrophobicContact CB-CD1 3.78Å; R249-F365 HydrophobicContact CB-CE1 3.81Å; R249-F365 HydrophobicContact CG-CE1 4.31Å
250R91.7Very high93.2Very high58 Ų5841.5 Ų41.522%0.21921%0.208CC..  trans-69.1116.7173.8-165.4-177.5-57.9122.35.3109.7V300 T301 T366 T367 K368R250-V300 HydrophobicContact CG-CG2 3.45Å; R250-V300 VanDerWaalsContact CG-CG2 3.45Å; R250-T301 VanDerWaalsContact CA-O 3.31Å; R250-T301 WeakPolarHBondContact CA-O 3.41Å; R250-T366 HydrophobicContact CB-CG2 4.24Å; R250-T366 HydrophobicContact CG-CG2 3.87Å; R250-T366 PolarHBondContact O-N 2.9Å; R250-T367 PolarHBondContact NH1-O 2.73Å; R250-K368 PolarHBondContact NH1-O 3.15Å
251L94Very high92.8Very high0 Ų047 Ų470%023%0.232CC..EExtended strand (participates in β ladder)trans-117.7137.4-176.7-81.4165000109.4A236 R249 L253 V300 T301 F365A236-L251 HydrophobicContact CB-CD2 4Å; R249-L251 PolarHBondContact O-N 3.08Å; L251-L253 HydrophobicContact CB-CG 4.41Å; L251-V300 CarbonylContact O-C 3.56Å; L251-V300 WeakPolarHBondContact O-CA 3.45Å; L251-T301 HydrophobicContact CB-CG2 3.99Å; L251-T301 PolarHBondContact N-O 2.89Å; L251-T301 PolarHBondContact O-N 2.9Å; L251-F365 HydrophobicContact CD1-CE1 4.44Å; L251-F365 HydrophobicContact CD2-CD1 3.41Å; L251-F365 VanDerWaalsContact CD2-CD1 3.41Å; L251-F365 HydrophobicContact CD2-CE1 3.57Å; L251-F365 HydrophobicContact CD2-CG 4.11Å; L251-F365 HydrophobicContact CD2-CZ 4.37Å; L251-F365 HydrophobicContact CG-CD1 3.93Å; L251-F365 HydrophobicContact CG-CE1 4.01Å
252I95.1Very high92Very high7 Ų754.9 Ų54.94%0.03627%0.274CS..EExtended strand (participates in β ladder)trans-108.9118166.8-58.2180000108.1L299 V300 V357 R362 L363 G364 T366I252-L299 WeakPolarHBondContact CA-O 3.43Å; I252-V300 HydrophobicContact CG1-CB 4.06Å; I252-V300 HydrophobicContact CG1-CG2 3.91Å; I252-V357 HydrophobicContact CG2-CG2 3.84Å; I252-R362 WeakPolarHBondContact CB-O 3.32Å; I252-R362 WeakPolarHBondContact CG2-O 3.31Å; I252-L363 HydrophobicContact CG2-CD2 3.91Å; I252-L363 CarbonylContact O-C 3.6Å; I252-L363 WeakPolarHBondContact O-CA 3.29Å; I252-G364 PolarHBondContact N-O 3.09Å; I252-G364 PolarHBondContact O-N 3.26Å; I252-T366 HydrophobicContact CD1-CG2 3.93Å; I252-T366 HydrophobicContact CG1-CG2 3.92Å
253L97.1Very high91.1Very high2 Ų261.9 Ų61.91%0.0131%0.307CS..EExtended strand (participates in β ladder)trans-125.2152.9-177.6-61.1173.6000110.3L237 L251 L269 T270 D271 K298 L299 L347L237-L253 HydrophobicContact CD1-CD2 4.22Å; L237-L253 HydrophobicContact CD2-CD1 4.42Å; L237-L253 HydrophobicContact CD2-CD2 4.13Å; L237-L253 HydrophobicContact CG-CD2 4.13Å; L251-L253 HydrophobicContact CB-CG 4.41Å; L253-L269 HydrophobicContact CB-CB 4.2Å; L253-L269 HydrophobicContact CB-CD2 4.43Å; L253-L269 HydrophobicContact CD1-CB 4.1Å; L253-L269 HydrophobicContact CD1-CD1 3.84Å; L253-T270 WeakPolarHBondContact CA-O 2.9Å; L253-D271 HydrophobicContact CD2-CB 3.85Å; L253-K298 WeakPolarHBondContact O-CA 3.31Å; L253-L299 PolarHBondContact N-O 3.23Å; L253-L299 PolarHBondContact O-N 3.08Å; L253-L347 HydrophobicContact CD1-CD2 3.69Å
254C96.9Very high90.6Very high9 Ų959 Ų596%0.06130%0.3CS..EExtended strand (participates in β ladder)trans-104.2140.6173-166.50000109.6S256 L269 T270 S297 K298 L363C254-S256 PolarHBondContact O-N 3.28Å; C254-L269 CarbonylContact O-C 3.54Å; C254-L269 WeakPolarHBondContact O-CA 3.39Å; C254-T270 HydrophobicContact CB-CG2 3.91Å; C254-T270 PolarHBondContact N-O 2.82Å; C254-T270 PolarHBondContact O-N 2.82Å; C254-S297 WeakPolarHBondContact CA-O 3.41Å; C254-K298 HydrophobicContact CB-CG 4.36Å; C254-L363 HydrophobicContact CB-CD1 3.95Å; C254-L363 HydrophobicContact CB-CD2 4.17Å
255V96.8Very high90.4Very high0 Ų054.7 Ų54.70%028%0.278CS..EExtended strand (participates in β ladder)trans-76.4112.4172.5-176.60000109.3I258 L269 W278 I293 V295 G296 S297 L299V255-I258 HydrophobicContact CG1-CD1 3.89Å; V255-I258 HydrophobicContact CG1-CG1 3.54Å; V255-L269 HydrophobicContact CB-CD2 4.46Å; V255-L269 HydrophobicContact CG2-CD2 3.82Å; V255-W278 HydrophobicContact CG2-CZ2 4.34Å; V255-I293 HydrophobicContact CG2-CG2 3.98Å; V255-V295 WeakPolarHBondContact O-CA 3.39Å; V255-G296 PolarHBondContact O-N 3.41Å; V255-S297 PolarHBondContact N-O 2.78Å; V255-L299 HydrophobicContact CG2-CD1 4.01Å
256S94.6Very high90.1Very high2 Ų258.6 Ų58.61%0.01429%0.293CS..EExtended strand (participates in β ladder)trans-88.4-29.3-178.658.60000113.7C254 C268 Q275 V295C254-S256 PolarHBondContact O-N 3.28Å; S256-C268 PolarHBondContact N-O 2.95Å; S256-C268 WeakPolarHBondContact OG-CB 3.33Å; S256-C268 PolarHBondContact OG-O 2.85Å; S256-Q275 VanDerWaalsContact CB-OE1 3.31Å; S256-Q275 PolarHBondContact OG-OE1 2.6Å; S256-V295 WeakPolarHBondContact O-CG1 3.32Å
257R93Very high90.1Very high79 Ų7955.4 Ų55.430%0.29827%0.274SS..EExtended strand (participates in β ladder)trans-149.1141.9-175.6-177.4179.3175.5170.9-0.2111D259 A267 C268R257-D259 WeakPolarHBondContact CG-OD1 3.44Å; R257-D259 IonicContact CZ-OD1 3.09Å; R257-D259 IonicContact CZ-OD2 3.81Å; R257-D259 VanDerWaalsContact CZ-OD2 3.22Å; R257-D259 IonicContact NE-OD1 3.21Å; R257-D259 PolarHBondContact NE-OD1 3.12Å; R257-D259 IonicContact NE-OD2 3.34Å; R257-D259 PolarHBondContact NE-OD2 3.17Å; R257-D259 IonicContact NH2-OD1 3.81Å; R257-D259 IonicContact NH2-OD2 2.67Å; R257-D259 PolarHBondContact NH2-OD2 3.39Å; R257-A267 CarbonylContact O-C 3.55Å; R257-A267 VanDerWaalsContact O-CA 3.23Å; R257-A267 WeakPolarHBondContact O-CA 3.4Å; R257-A267 VanDerWaalsContact O-CB 3.31Å; R257-A267 WeakPolarHBondContact O-CB 3.49Å; R257-C268 HydrophobicContact CB-CB 4.01Å; R257-C268 PolarHBondContact O-N 2.97Å
258I92.9Very high90.1Very high36 Ų3655.2 Ų55.219%0.18527%0.273CS..EExtended strand (participates in β ladder)trans-139.6119.7167.4-54.3176.5000107.6V255 I260 V265 A267 I288 V295V255-I258 HydrophobicContact CG1-CD1 3.89Å; V255-I258 HydrophobicContact CG1-CG1 3.54Å; I258-I260 HydrophobicContact CG2-CD1 4.46Å; I258-I260 HydrophobicContact CG2-CG1 4.08Å; I258-V265 HydrophobicContact CG2-CG1 4.35Å; I258-A267 HydrophobicContact CG1-CB 4.3Å; I258-I288 HydrophobicContact CD1-CG2 4.19Å; I258-I288 HydrophobicContact CG2-CG2 3.62Å; I258-V295 HydrophobicContact CB-CG2 4.3Å; I258-V295 HydrophobicContact CD1-CG2 4.43Å; I258-V295 HydrophobicContact CG1-CG2 4Å
259D89.9Confident90.3Very high32 Ų3253 Ų5317%0.17126%0.255CS..EExtended strand (participates in β ladder)trans-116140.6167.9-44.5-14000108.2R257 F261 K266R257-D259 WeakPolarHBondContact CG-OD1 3.44Å; R257-D259 IonicContact CZ-OD1 3.09Å; R257-D259 IonicContact CZ-OD2 3.81Å; R257-D259 VanDerWaalsContact CZ-OD2 3.22Å; R257-D259 IonicContact NE-OD1 3.21Å; R257-D259 PolarHBondContact NE-OD1 3.12Å; R257-D259 IonicContact NE-OD2 3.34Å; R257-D259 PolarHBondContact NE-OD2 3.17Å; R257-D259 IonicContact NH2-OD1 3.81Å; R257-D259 IonicContact NH2-OD2 2.67Å; R257-D259 PolarHBondContact NH2-OD2 3.39Å; D259-F261 HydrophobicContact CB-CD2 4.09Å; D259-F261 HydrophobicContact CB-CE2 3.34Å; D259-F261 HydrophobicContact CB-CZ 3.79Å; D259-K266 HydrophobicContact CB-CB 4.48Å; D259-K266 PolarHBondContact N-O 3.38Å; D259-K266 PolarHBondContact O-N 3.18Å; D259-K266 VanDerWaalsContact O-O 3.09Å
260I88.3Confident90.6Very high89 Ų8948 Ų4846%0.45624%0.236SC..EExtended strand (participates in β ladder)trans-125.8119.7179.3-52.3-179.2000107.5I258 V265 I288I258-I260 HydrophobicContact CG2-CD1 4.46Å; I258-I260 HydrophobicContact CG2-CG1 4.08Å; I260-V265 HydrophobicContact CG1-CG2 4.38Å; I260-I288 HydrophobicContact CD1-CG2 4.28Å
261F84.5Confident90.8Very high116 Ų11645.7 Ų45.751%0.50923%0.228SC..EExtended strand (participates in β ladder)trans-135.5123.4-179.7-54.3-76.4000108.8D259 Q263 C264D259-F261 HydrophobicContact CB-CD2 4.09Å; D259-F261 HydrophobicContact CB-CE2 3.34Å; D259-F261 HydrophobicContact CB-CZ 3.79Å; F261-Q263 VanDerWaalsContact C-N 3.3Å; F261-Q263 PolarHBondContact O-N 2.94Å; F261-Q263 VanDerWaalsContact O-N 3.16Å; F261-C264 PolarHBondContact N-O 3.1Å; F261-C264 WeakPolarHBondContact O-CA 3.44Å; F261-C264 VanDerWaalsContact O-CB 3.25Å; F261-C264 WeakPolarHBondContact O-CB 3.43Å; F261-C264 PolarHBondContact O-N 2.96Å; F261-C264 VanDerWaalsContact O-O 3.11Å
262D77Confident90.9Very high166 Ų16646.5 Ų46.589%0.88824%0.236SC*.THydrogen-bonded Turntrans47.748.6171.9-51-29.7000114C264D262-C264 PolarHBondContact O-N 3.09Å
263Q73Confident90.9Very high189 Ų18948.2 Ų48.288%0.88324%0.242SC*.THydrogen-bonded Turntrans65.5-7.5-174.5-48.6179.914.300115.9F261F261-Q263 VanDerWaalsContact C-N 3.3Å; F261-Q263 PolarHBondContact O-N 2.94Å; F261-Q263 VanDerWaalsContact O-N 3.16Å
264C79.4Confident90.8Very high74 Ų7448.3 Ų48.350%0.524%0.243SC..EExtended strand (participates in β ladder)trans-80.9129.4170.4-1730000111F261 D262F261-C264 PolarHBondContact N-O 3.1Å; F261-C264 WeakPolarHBondContact O-CA 3.44Å; F261-C264 VanDerWaalsContact O-CB 3.25Å; F261-C264 WeakPolarHBondContact O-CB 3.43Å; F261-C264 PolarHBondContact O-N 2.96Å; F261-C264 VanDerWaalsContact O-O 3.11Å; D262-C264 PolarHBondContact O-N 3.09Å
265V87.1Confident90.7Very high17 Ų1748.7 Ų48.710%0.10324%0.243CC..EExtended strand (participates in β ladder)trans-100.8120175.11760000109.3I258 I260 A267 P280 T285 I288 T289I258-V265 HydrophobicContact CG2-CG1 4.35Å; I260-V265 HydrophobicContact CG1-CG2 4.38Å; V265-A267 HydrophobicContact CG1-CB 4.31Å; V265-P280 HydrophobicContact CB-CG 4.46Å; V265-P280 HydrophobicContact CG1-CG 4.29Å; V265-T285 HydrophobicContact CG2-CG2 3.88Å; V265-I288 HydrophobicContact CG1-CD1 3.96Å; V265-I288 HydrophobicContact CG1-CG2 3.98Å; V265-I288 HydrophobicContact CG2-CG2 4.36Å; V265-T289 HydrophobicContact CG2-CG2 4.36Å
266K89Confident90.6Very high115 Ų11548.7 Ų48.750%0.524%0.243SC..EExtended strand (participates in β ladder)trans-108.1120.1168.8-69.5-174177.8-176.50108.4D259D259-K266 HydrophobicContact CB-CB 4.48Å; D259-K266 PolarHBondContact N-O 3.38Å; D259-K266 PolarHBondContact O-N 3.18Å; D259-K266 VanDerWaalsContact O-O 3.09Å
267A93.2Very high90.7Very high5 Ų550.1 Ų50.14%0.04126%0.255CS..EExtended strand (participates in β ladder)trans-140.5161.3-176.600000111.6R257 I258 V265 W278R257-A267 CarbonylContact O-C 3.55Å; R257-A267 VanDerWaalsContact O-CA 3.23Å; R257-A267 WeakPolarHBondContact O-CA 3.4Å; R257-A267 VanDerWaalsContact O-CB 3.31Å; R257-A267 WeakPolarHBondContact O-CB 3.49Å; I258-A267 HydrophobicContact CG1-CB 4.3Å; V265-A267 HydrophobicContact CG1-CB 4.31Å; A267-W278 VanDerWaalsContact O-CD1 3.23Å; A267-W278 PolarHBondContact O-N 3.32Å
268C95.2Very high90.8Very high12 Ų1246.7 Ų46.78%0.08124%0.242CC..EExtended strand (participates in β ladder)trans-127.9148.7177.7-61.60000111.4S256 R257 I276S256-C268 PolarHBondContact N-O 2.95Å; S256-C268 WeakPolarHBondContact OG-CB 3.33Å; S256-C268 PolarHBondContact OG-O 2.85Å; R257-C268 HydrophobicContact CB-CB 4.01Å; R257-C268 PolarHBondContact O-N 2.97Å; C268-I276 CarbonylContact C-O 3.56Å; C268-I276 VanDerWaalsContact CA-O 3.31Å; C268-I276 WeakPolarHBondContact CA-O 3.32Å
269L97.1Very high90.6Very high0 Ų049.2 Ų49.20%025%0.253CS..EExtended strand (participates in β ladder)trans-116.3149.8174.4-63.7171.9000109.8L253 C254 V255 Q275 I276 W278 L347 L349L253-L269 HydrophobicContact CB-CB 4.2Å; L253-L269 HydrophobicContact CB-CD2 4.43Å; L253-L269 HydrophobicContact CD1-CB 4.1Å; L253-L269 HydrophobicContact CD1-CD1 3.84Å; C254-L269 CarbonylContact O-C 3.54Å; C254-L269 WeakPolarHBondContact O-CA 3.39Å; V255-L269 HydrophobicContact CB-CD2 4.46Å; V255-L269 HydrophobicContact CG2-CD2 3.82Å; L269-Q275 CarbonylContact O-C 3.52Å; L269-Q275 VanDerWaalsContact O-CA 3.3Å; L269-Q275 WeakPolarHBondContact O-CA 3.16Å; L269-I276 HydrophobicContact CB-CG2 4.18Å; L269-I276 PolarHBondContact N-O 2.93Å; L269-I276 PolarHBondContact O-N 3.01Å; L269-W278 HydrophobicContact CD1-CB 3.87Å; L269-W278 HydrophobicContact CD1-CD2 3.83Å; L269-W278 HydrophobicContact CD1-CE3 4.26Å; L269-W278 HydrophobicContact CD1-CG 3.68Å; L269-W278 HydrophobicContact CD2-CD2 4.27Å; L269-W278 HydrophobicContact CD2-CG 4.44Å; L269-W278 HydrophobicContact CD2-CZ2 4.2Å; L269-W278 HydrophobicContact CG-CB 4.23Å; L269-W278 HydrophobicContact CG-CD2 3.99Å; L269-W278 HydrophobicContact CG-CG 3.71Å; L269-L347 HydrophobicContact CD1-CD2 4.14Å; L269-L349 HydrophobicContact CD1-CD1 3.75Å; L269-L349 HydrophobicContact CD1-CG 4.19Å
270T96.7Very high90.8Very high1 Ų148.7 Ų48.71%0.00625%0.252CS..EExtended strand (participates in β ladder)trans-134.3145.3175.7177.80000111.6Q188 W191 L253 C254 G272 Y274Q188-T270 PolarHBondContact NE2-OG1 3.02Å; Q188-T270 PolarHBondContact OE1-OG1 3.46Å; W191-T270 HydrophobicContact CZ3-CG2 3.98Å; L253-T270 WeakPolarHBondContact CA-O 2.9Å; C254-T270 HydrophobicContact CB-CG2 3.91Å; C254-T270 PolarHBondContact N-O 2.82Å; C254-T270 PolarHBondContact O-N 2.82Å; T270-G272 VanDerWaalsContact C-N 3.32Å; T270-G272 WeakPolarHBondContact OG1-CA 3.44Å; T270-G272 PolarHBondContact OG1-N 3.12Å; T270-Y274 VanDerWaalsContact CA-O 3.23Å; T270-Y274 WeakPolarHBondContact CA-O 3.5Å; T270-Y274 VanDerWaalsContact CB-O 3.31Å; T270-Y274 WeakPolarHBondContact CB-O 3.48Å; T270-Y274 PolarHBondContact OG1-O 3.45Å
271D96.5Very high91Very high8 Ų845.4 Ų45.44%0.04324%0.235CC..  trans-92.16.6166.366.1-6.6000112.6A236 L237 L253 W273 Y274 L363A236-D271 PolarHBondContact N-OD2 3.35Å; L237-D271 HydrophobicContact CD1-CB 4.14Å; L237-D271 HydrophobicContact CG-CB 4.02Å; L237-D271 PolarHBondContact N-OD2 3Å; L253-D271 HydrophobicContact CD2-CB 3.85Å; D271-W273 VanDerWaalsContact C-N 3.34Å; D271-W273 WeakPolarHBondContact OD1-CA 3.44Å; D271-W273 WeakPolarHBondContact OD1-CB 3.27Å; D271-W273 PolarHBondContact OD1-N 2.84Å; D271-Y274 PolarHBondContact OD1-N 2.99Å; D271-L363 WeakPolarHBondContact O-CB 3.32Å
272G95.1Very high91.3Very high17 Ų1743.9 Ų43.918%0.17524%0.237CC..SBendtrans88.4-2.1-17400000114R224 T270R224-G272 PolarHBondContact NH1-O 2.69Å; R224-G272 PolarHBondContact NH2-O 3.36Å; T270-G272 VanDerWaalsContact C-N 3.32Å; T270-G272 WeakPolarHBondContact OG1-CA 3.44Å; T270-G272 PolarHBondContact OG1-N 3.12Å
273W95.1Very high92.1Very high43 Ų4337.6 Ų37.616%0.16320%0.203CC..SBendtrans-115.2-53.4174.7-63.472.9000111.2N184 H185 R224 R227 E228 P235 D271N184-W273 PolarHBondContact ND2-O 3.19Å; H185-W273 WeakPolarHBondContact CE1-CA 3.27Å; H185-W273 WeakPolarHBondContact CE1-CB 3.39Å; H185-W273 AromaticContact CE1-CE3 3.53Å; H185-W273 PolarHBondContact CE1-O 3.22Å; H185-W273 PolarHBondContact ND1-O 3.18Å; R224-W273 HydrophobicContact CB-CH2 4.36Å; R224-W273 HydrophobicContact CB-CZ3 3.89Å; R224-W273 HydrophobicContact CG-CE3 4.24Å; R224-W273 HydrophobicContact CG-CH2 3.93Å; R224-W273 HydrophobicContact CG-CZ3 3.7Å; R227-W273 HydrophobicContact CB-CH2 3.96Å; E228-W273 HydrophobicContact CB-CZ3 4.27Å; P235-W273 HydrophobicContact CB-CB 3.74Å; P235-W273 HydrophobicContact CB-CD2 3.84Å; P235-W273 HydrophobicContact CB-CE3 4.42Å; P235-W273 HydrophobicContact CB-CG 3.49Å; P235-W273 VanDerWaalsContact CB-CG 3.49Å; P235-W273 HydrophobicContact CG-CB 3.55Å; P235-W273 HydrophobicContact CG-CD2 3.94Å; P235-W273 HydrophobicContact CG-CE3 4.1Å; P235-W273 HydrophobicContact CG-CG 3.71Å; D271-W273 VanDerWaalsContact C-N 3.34Å; D271-W273 WeakPolarHBondContact OD1-CA 3.44Å; D271-W273 WeakPolarHBondContact OD1-CB 3.27Å; D271-W273 PolarHBondContact OD1-N 2.84Å
274Y95.2Very high93.1Very high5 Ų528.8 Ų28.82%0.0216%0.161CC..  trans-126.7169.9-179.1-70.7-85.3000112H185 E228 P235 L237 R238 T270 D271 Y336H185-Y274 AromaticContact CE1-CD2 3.81Å; H185-Y274 AromaticContact CE1-CE2 3.45Å; H185-Y274 VanDerWaalsContact CE1-CE2 3.45Å; H185-Y274 WeakPolarHBondContact CE1-CE2 3.44Å; H185-Y274 AromaticContact CE1-CZ 3.8Å; H185-Y274 AromaticContact NE2-CZ 3.84Å; H185-Y274 PolarHBondContact NE2-OH 3.49Å; E228-Y274 WeakPolarHBondContact OE1-CE2 3.23Å; E228-Y274 VanDerWaalsContact OE1-CZ 3.26Å; E228-Y274 PolarHBondContact OE1-OH 2.97Å; E228-Y274 PolarHBondContact OE2-OH 2.84Å; P235-Y274 HydrophobicContact CG-CD2 3.79Å; P235-Y274 HydrophobicContact CG-CE2 3.76Å; L237-Y274 WeakPolarHBondContact CD1-O 3.36Å; R238-Y274 HydrophobicContact CB-CD2 4.22Å; R238-Y274 HydrophobicContact CB-CE2 4.14Å; R238-Y274 HydrophobicContact CG-CE2 4.37Å; R238-Y274 PolarHBondContact NH1-OH 3.13Å; R238-Y274 VanDerWaalsContact NH1-OH 3.08Å; T270-Y274 VanDerWaalsContact CA-O 3.23Å; T270-Y274 WeakPolarHBondContact CA-O 3.5Å; T270-Y274 VanDerWaalsContact CB-O 3.31Å; T270-Y274 WeakPolarHBondContact CB-O 3.48Å; T270-Y274 PolarHBondContact OG1-O 3.45Å; D271-Y274 PolarHBondContact OD1-N 2.99Å; Y274-Y336 AromaticContact CD1-CD1 3.67Å; Y274-Y336 HydrophobicContact CD1-CD1 3.67Å; Y274-Y336 AromaticContact CD1-CE1 3.42Å; Y274-Y336 HydrophobicContact CD1-CE1 3.42Å; Y274-Y336 VanDerWaalsContact CD1-CE1 3.42Å; Y274-Y336 HydrophobicContact CD1-CE2 4.44Å; Y274-Y336 HydrophobicContact CD1-CG 4.28Å; Y274-Y336 AromaticContact CD1-CZ 3.85Å; Y274-Y336 HydrophobicContact CE1-CD1 4.17Å; Y274-Y336 HydrophobicContact CE1-CD2 4.4Å; Y274-Y336 HydrophobicContact CE1-CE1 4.07Å; Y274-Y336 HydrophobicContact CE1-CE2 4.3Å; Y274-Y336 HydrophobicContact CE1-CG 4.34Å; Y274-Y336 AromaticContact CG-CE1 3.87Å; Y274-Y336 HydrophobicContact CG-CE1 3.87Å
275Q95.4Very high93.8Very high16 Ų1626.9 Ų26.98%0.07515%0.147CC..EExtended strand (participates in β ladder)trans-114.9149.9174.3-56.3-16982.500111.6L114 S256 L269 D339 G340 V341 A342L114-Q275 VanDerWaalsContact CD2-CD 3.45Å; L114-Q275 HydrophobicContact CD2-CG 4.12Å; S256-Q275 VanDerWaalsContact CB-OE1 3.31Å; S256-Q275 PolarHBondContact OG-OE1 2.6Å; L269-Q275 CarbonylContact O-C 3.52Å; L269-Q275 VanDerWaalsContact O-CA 3.3Å; L269-Q275 WeakPolarHBondContact O-CA 3.16Å; Q275-D339 PolarHBondContact NE2-O 3.19Å; Q275-G340 PolarHBondContact N-O 2.7Å; Q275-V341 HydrophobicContact CB-CB 4.26Å; Q275-V341 HydrophobicContact CB-CG2 3.7Å; Q275-V341 HydrophobicContact CG-CG2 4.39Å; Q275-V341 WeakPolarHBondContact O-CA 3.35Å; Q275-A342 PolarHBondContact O-N 2.92Å
276I95.4Very high94Very high0 Ų029.6 Ų29.60%016%0.164CC..EExtended strand (participates in β ladder)trans-136.5138.1170.2-166.7164.7000109.4L237 I241 C268 L269 L306 A342 L347L237-I276 HydrophobicContact CD1-CB 4.48Å; L237-I276 HydrophobicContact CD1-CG2 4.03Å; L237-I276 HydrophobicContact CD2-CB 4.45Å; L237-I276 HydrophobicContact CD2-CG2 3.78Å; I241-I276 HydrophobicContact CD1-CD1 4.21Å; I241-I276 HydrophobicContact CG1-CD1 3.97Å; C268-I276 CarbonylContact C-O 3.56Å; C268-I276 VanDerWaalsContact CA-O 3.31Å; C268-I276 WeakPolarHBondContact CA-O 3.32Å; L269-I276 HydrophobicContact CB-CG2 4.18Å; L269-I276 PolarHBondContact N-O 2.93Å; L269-I276 PolarHBondContact O-N 3.01Å; I276-L306 HydrophobicContact CD1-CD1 3.92Å; I276-A342 HydrophobicContact CB-CB 4.36Å; I276-A342 HydrophobicContact CD1-CB 4.49Å; I276-A342 HydrophobicContact CG1-CB 4Å; I276-L347 HydrophobicContact CD1-CB 4.24Å; I276-L347 HydrophobicContact CG2-CB 4.24Å
277A95.1Very high94.2Very high32 Ų3226.4 Ų26.426%0.26415%0.152SC..EExtended strand (participates in β ladder)trans-63.2152168.800000109.9A346 L347A277-A346 HydrophobicContact CB-CB 4.09Å; A277-A346 CarbonylContact O-C 3.55Å; A277-A346 WeakPolarHBondContact O-CA 3.3Å; A277-A346 WeakPolarHBondContact O-CB 3.21Å; A277-L347 PolarHBondContact O-N 2.75Å
278W95.1Very high94.2Very high7 Ų726.5 Ų26.53%0.02715%0.152CC..EExtended strand (participates in β ladder)trans-137.6149.6172.870.6-61.7000114.2V255 A267 L269 P280 L284 I288 L299 L347 L349V255-W278 HydrophobicContact CG2-CZ2 4.34Å; A267-W278 VanDerWaalsContact O-CD1 3.23Å; A267-W278 PolarHBondContact O-N 3.32Å; L269-W278 HydrophobicContact CD1-CB 3.87Å; L269-W278 HydrophobicContact CD1-CD2 3.83Å; L269-W278 HydrophobicContact CD1-CE3 4.26Å; L269-W278 HydrophobicContact CD1-CG 3.68Å; L269-W278 HydrophobicContact CD2-CD2 4.27Å; L269-W278 HydrophobicContact CD2-CG 4.44Å; L269-W278 HydrophobicContact CD2-CZ2 4.2Å; L269-W278 HydrophobicContact CG-CB 4.23Å; L269-W278 HydrophobicContact CG-CD2 3.99Å; L269-W278 HydrophobicContact CG-CG 3.71Å; W278-P280 HydrophobicContact CE3-CB 4.14Å; W278-P280 HydrophobicContact CH2-CB 4.26Å; W278-P280 HydrophobicContact CZ3-CB 3.88Å; W278-P280 VanDerWaalsContact O-CD 3.3Å; W278-P280 WeakPolarHBondContact O-CD 3.18Å; W278-L284 HydrophobicContact CH2-CD2 4.48Å; W278-L284 HydrophobicContact CZ3-CB 4.44Å; W278-L284 HydrophobicContact CZ3-CD1 4.1Å; W278-L284 HydrophobicContact CZ3-CD2 4.4Å; W278-I288 HydrophobicContact CH2-CD1 4Å; W278-I288 HydrophobicContact CZ2-CD1 3.87Å; W278-L299 HydrophobicContact CH2-CD1 4.14Å; W278-L347 CarbonylContact C-O 3.59Å; W278-L347 WeakPolarHBondContact CA-O 3.47Å; W278-L347 HydrophobicContact CB-CB 4.3Å; W278-L347 WeakPolarHBondContact CB-O 3.29Å; W278-L349 HydrophobicContact CE3-CB 3.87Å; W278-L349 HydrophobicContact CE3-CD1 3.78Å; W278-L349 HydrophobicContact CE3-CG 3.69Å; W278-L349 HydrophobicContact CZ3-CB 3.92Å; W278-L349 HydrophobicContact CZ3-CD1 3.76Å; W278-L349 HydrophobicContact CZ3-CG 4.03Å
279H90.1Very high94.1Very high89 Ų8929.9 Ų29.941%0.41217%0.172SC..EExtended strand (participates in β ladder)trans-100.4101.2171.7-63.3100.9000108.3A346 L347 L349H279-A346 VanDerWaalsContact CE1-CB 3.45Å; H279-A346 WeakPolarHBondContact CE1-CB 3.14Å; H279-A346 WeakPolarHBondContact ND1-CB 3.01Å; H279-L347 PolarHBondContact N-O 2.67Å; H279-L349 PolarHBondContact O-N 3.3Å
280P92.8Very high93.8Very high22 Ų2232.9 Ų32.914%0.14319%0.194CC..EExtended strand (participates in β ladder)trans-66.914616629-33.7000110V265 W278 L284 I288V265-P280 HydrophobicContact CB-CG 4.46Å; V265-P280 HydrophobicContact CG1-CG 4.29Å; W278-P280 HydrophobicContact CE3-CB 4.14Å; W278-P280 HydrophobicContact CH2-CB 4.26Å; W278-P280 HydrophobicContact CZ3-CB 3.88Å; W278-P280 VanDerWaalsContact O-CD 3.3Å; W278-P280 WeakPolarHBondContact O-CD 3.18Å; P280-L284 HydrophobicContact CB-CB 3.59Å; P280-I288 HydrophobicContact CB-CD1 4.17Å; P280-I288 HydrophobicContact CG-CD1 4.17Å
281D93.3Very high93.5Very high20 Ų2034 Ų3411%0.10721%0.206CC..  trans-76.9174.3165.766.715000111.3M283 L284 T285 H350 G351 G388D281-M283 VanDerWaalsContact C-N 3.29Å; D281-M283 PolarHBondContact O-N 3.45Å; D281-M283 PolarHBondContact OD1-N 3.3Å; D281-L284 PolarHBondContact O-N 2.85Å; D281-L284 VanDerWaalsContact O-N 3.17Å; D281-L284 WeakPolarHBondContact OD1-CB 3.38Å; D281-L284 WeakPolarHBondContact OD1-CD1 3.39Å; D281-L284 WeakPolarHBondContact OD1-CG 3.24Å; D281-L284 PolarHBondContact OD1-N 3.36Å; D281-T285 WeakPolarHBondContact O-CB 3.47Å; D281-T285 PolarHBondContact O-N 2.84Å; D281-T285 PolarHBondContact O-OG1 2.94Å; D281-H350 WeakPolarHBondContact OD2-CA 3.24Å; D281-G351 PolarHBondContact OD2-N 3.16Å; D281-G388 VanDerWaalsContact OD2-CA 3.23Å; D281-G388 WeakPolarHBondContact OD2-CA 3.23Å; D281-G388 VanDerWaalsContact OD2-O 3.06Å
282P91.7Very high93.4Very high83 Ų8340.1 Ų40.154%0.53923%0.232SC..Hα-helixtrans-60-35.7-176.5-25.635.2000113.5T285 T286 D387P282-T285 WeakPolarHBondContact O-CB 3.28Å; P282-T285 PolarHBondContact O-N 3.11Å; P282-T286 PolarHBondContact O-N 2.76Å; P282-T286 PolarHBondContact O-OG1 2.91Å; P282-T286 VanDerWaalsContact O-OG1 3.13Å; P282-D387 HydrophobicContact CB-CB 4.3Å; P282-D387 WeakPolarHBondContact CD-O 3.44Å
283M92.1Very high93.4Very high35 Ų3539.9 Ų39.917%0.17223%0.226CC..Hα-helixtrans-60.6-49.5173.1179.1-176.1176.800111.9D281 T285 T286 L287 D387D281-M283 VanDerWaalsContact C-N 3.29Å; D281-M283 PolarHBondContact O-N 3.45Å; D281-M283 PolarHBondContact OD1-N 3.3Å; M283-T285 VanDerWaalsContact C-N 3.29Å; M283-T285 PolarHBondContact O-N 2.95Å; M283-T286 PolarHBondContact O-N 2.79Å; M283-L287 WeakPolarHBondContact O-CG 3.47Å; M283-L287 PolarHBondContact O-N 2.92Å; M283-L287 VanDerWaalsContact O-N 3.08Å; M283-D387 HydrophobicContact CB-CB 4.38Å; M283-D387 WeakPolarHBondContact CB-O 3.39Å; M283-D387 PolarHBondContact N-O 2.84Å; M283-D387 VanDerWaalsContact N-O 3.11Å
284L94.1Very high93.3Very high3 Ų345.7 Ų45.72%0.01625%0.248CC..Hα-helixtrans-65.1-34.9177.1-74.4159.9000111.9W278 P280 D281 L287 I288 I293 L349 T354W278-L284 HydrophobicContact CH2-CD2 4.48Å; W278-L284 HydrophobicContact CZ3-CB 4.44Å; W278-L284 HydrophobicContact CZ3-CD1 4.1Å; W278-L284 HydrophobicContact CZ3-CD2 4.4Å; P280-L284 HydrophobicContact CB-CB 3.59Å; D281-L284 PolarHBondContact O-N 2.85Å; D281-L284 VanDerWaalsContact O-N 3.17Å; D281-L284 WeakPolarHBondContact OD1-CB 3.38Å; D281-L284 WeakPolarHBondContact OD1-CD1 3.39Å; D281-L284 WeakPolarHBondContact OD1-CG 3.24Å; D281-L284 PolarHBondContact OD1-N 3.36Å; L284-L287 PolarHBondContact O-N 3.1Å; L284-I288 WeakPolarHBondContact O-CG1 3.35Å; L284-I288 PolarHBondContact O-N 2.57Å; L284-I293 HydrophobicContact CD2-CD1 3.81Å; L284-L349 HydrophobicContact CD1-CB 3.83Å; L284-L349 WeakPolarHBondContact CD1-O 3.31Å; L284-T354 HydrophobicContact CD2-CG2 4.19Å
285T94Very high93.2Very high34 Ų3448.1 Ų48.121%0.20926%0.264CS..Hα-helixtrans-62-47.6174.6-58.10000110.9V265 D281 P282 M283 L287 I288 T289V265-T285 HydrophobicContact CG2-CG2 3.88Å; D281-T285 WeakPolarHBondContact O-CB 3.47Å; D281-T285 PolarHBondContact O-N 2.84Å; D281-T285 PolarHBondContact O-OG1 2.94Å; P282-T285 WeakPolarHBondContact O-CB 3.28Å; P282-T285 PolarHBondContact O-N 3.11Å; M283-T285 VanDerWaalsContact C-N 3.29Å; M283-T285 PolarHBondContact O-N 2.95Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 2.83Å; T285-I288 PolarHBondContact O-N 2.84Å; T285-I288 VanDerWaalsContact O-N 3.1Å; T285-T289 PolarHBondContact O-N 2.82Å; T285-T289 PolarHBondContact O-OG1 2.84Å
286T91.8Very high93Very high74 Ų7449.3 Ų49.345%0.45428%0.28SS..Hα-helixtrans-61.5-35.2173.9-59.90000112.5P282 M283 I288 T289 S290P282-T286 PolarHBondContact O-N 2.76Å; P282-T286 PolarHBondContact O-OG1 2.91Å; P282-T286 VanDerWaalsContact O-OG1 3.13Å; M283-T286 PolarHBondContact O-N 2.79Å; T286-I288 VanDerWaalsContact C-N 3.34Å; T286-T289 WeakPolarHBondContact CA-OG1 3.28Å; T286-T289 PolarHBondContact O-OG1 3.16Å; T286-S290 VanDerWaalsContact O-CB 3.26Å; T286-S290 WeakPolarHBondContact O-CB 3.39Å; T286-S290 PolarHBondContact O-N 2.77Å; T286-S290 PolarHBondContact O-OG 2.87Å
287L93.3Very high92.9Very high48 Ų4850.7 Ų50.725%0.25129%0.289SS..Hα-helixtrans-70.6-28.2174.6-68.1173.9000113M283 L284 T285 K292 I293M283-L287 WeakPolarHBondContact O-CG 3.47Å; M283-L287 PolarHBondContact O-N 2.92Å; M283-L287 VanDerWaalsContact O-N 3.08Å; L284-L287 PolarHBondContact O-N 3.1Å; T285-L287 VanDerWaalsContact C-N 3.3Å; T285-L287 PolarHBondContact O-N 2.83Å; L287-K292 HydrophobicContact CD2-CB 4.2Å; L287-K292 HydrophobicContact CD2-CD 3.75Å; L287-K292 WeakPolarHBondContact O-CA 3.12Å; L287-K292 WeakPolarHBondContact O-CB 3.49Å; L287-K292 PolarHBondContact O-N 3Å; L287-I293 HydrophobicContact CB-CD1 3.72Å; L287-I293 HydrophobicContact CB-CG1 4Å; L287-I293 HydrophobicContact CD1-CD1 4.29Å; L287-I293 PolarHBondContact O-N 3.1Å
288I94.2Very high92.9Very high7 Ų751.3 Ų51.34%0.03629%0.286CS..Hα-helixtrans-75.9-48.3172.4-69.8165000110.9I258 I260 V265 W278 P280 L284 T285 T286 S290 G291 I293I258-I288 HydrophobicContact CD1-CG2 4.19Å; I258-I288 HydrophobicContact CG2-CG2 3.62Å; I260-I288 HydrophobicContact CD1-CG2 4.28Å; V265-I288 HydrophobicContact CG1-CD1 3.96Å; V265-I288 HydrophobicContact CG1-CG2 3.98Å; V265-I288 HydrophobicContact CG2-CG2 4.36Å; W278-I288 HydrophobicContact CH2-CD1 4Å; W278-I288 HydrophobicContact CZ2-CD1 3.87Å; P280-I288 HydrophobicContact CB-CD1 4.17Å; P280-I288 HydrophobicContact CG-CD1 4.17Å; L284-I288 WeakPolarHBondContact O-CG1 3.35Å; L284-I288 PolarHBondContact O-N 2.57Å; T285-I288 PolarHBondContact O-N 2.84Å; T285-I288 VanDerWaalsContact O-N 3.1Å; T286-I288 VanDerWaalsContact C-N 3.34Å; I288-S290 PolarHBondContact O-N 2.84Å; I288-G291 WeakPolarHBondContact O-CA 3.28Å; I288-G291 PolarHBondContact O-N 2.81Å; I288-I293 HydrophobicContact CG1-CB 3.83Å; I288-I293 HydrophobicContact CG1-CD1 4.43Å; I288-I293 HydrophobicContact CG1-CG2 3.87Å
289T91.8Very high92.9Very high83 Ų8351.3 Ų51.351%0.50929%0.287SS..Hα-helixtrans-69.7-31.2-178.156.90000113.1V265 T285 T286 G291V265-T289 HydrophobicContact CG2-CG2 4.36Å; T285-T289 PolarHBondContact O-N 2.82Å; T285-T289 PolarHBondContact O-OG1 2.84Å; T286-T289 WeakPolarHBondContact CA-OG1 3.28Å; T286-T289 PolarHBondContact O-OG1 3.16Å; T289-G291 PolarHBondContact O-N 2.99Å
290S91.8Very high93.1Very high64 Ų6447.1 Ų47.145%0.44827%0.267SS..THydrogen-bonded Turntrans-76.74.7167.962.90000114T286 I288 K292T286-S290 VanDerWaalsContact O-CB 3.26Å; T286-S290 WeakPolarHBondContact O-CB 3.39Å; T286-S290 PolarHBondContact O-N 2.77Å; T286-S290 PolarHBondContact O-OG 2.87Å; I288-S290 PolarHBondContact O-N 2.84Å; S290-K292 PolarHBondContact O-N 2.81Å
291G90.5Very high93.1Very high25 Ų2546.1 Ų46.126%0.25826%0.261SS..THydrogen-bonded Turntrans6615.7176.600000114.9I288 T289 R294I288-G291 WeakPolarHBondContact O-CA 3.28Å; I288-G291 PolarHBondContact O-N 2.81Å; T289-G291 PolarHBondContact O-N 2.99Å; G291-R294 VanDerWaalsContact O-CD 3.29Å; G291-R294 WeakPolarHBondContact O-CD 3.42Å; G291-R294 WeakPolarHBondContact O-CG 3.37Å; G291-R294 PolarHBondContact O-NH1 2.93Å
292K93.2Very high93Very high136 Ų13645.7 Ų45.759%0.59126%0.26SS*.SBendtrans-77.1-32.5176.3-70.7176.5176.7174.50112L287 S290L287-K292 HydrophobicContact CD2-CB 4.2Å; L287-K292 HydrophobicContact CD2-CD 3.75Å; L287-K292 WeakPolarHBondContact O-CA 3.12Å; L287-K292 WeakPolarHBondContact O-CB 3.49Å; L287-K292 PolarHBondContact O-N 3Å; S290-K292 PolarHBondContact O-N 2.81Å
293I94.8Very high93Very high12 Ų1242.9 Ų42.96%0.06225%0.246CC..SBendtrans-102.1128.3165.9-63.8173.1000107.7V255 L284 L287 I288 L299V255-I293 HydrophobicContact CG2-CG2 3.98Å; L284-I293 HydrophobicContact CD2-CD1 3.81Å; L287-I293 HydrophobicContact CB-CD1 3.72Å; L287-I293 HydrophobicContact CB-CG1 4Å; L287-I293 HydrophobicContact CD1-CD1 4.29Å; L287-I293 PolarHBondContact O-N 3.1Å; I288-I293 HydrophobicContact CG1-CB 3.83Å; I288-I293 HydrophobicContact CG1-CD1 4.43Å; I288-I293 HydrophobicContact CG1-CG2 3.87Å; I293-L299 HydrophobicContact CD1-CD1 4.41Å; I293-L299 HydrophobicContact CG1-CD2 4.49Å; I293-L299 HydrophobicContact CG2-CD1 4.39Å
294R93.3Very high93.1Very high164 Ų16441.3 Ų41.362%0.61924%0.239SC*.  trans-134.9167.3-176.3-59.8-169-76.5-111.814.5110.3G291 G296 S297G291-R294 VanDerWaalsContact O-CD 3.29Å; G291-R294 WeakPolarHBondContact O-CD 3.42Å; G291-R294 WeakPolarHBondContact O-CG 3.37Å; G291-R294 PolarHBondContact O-NH1 2.93Å; R294-G296 PolarHBondContact O-N 2.77Å; R294-S297 PolarHBondContact N-OG 2.57Å; R294-S297 WeakPolarHBondContact O-CB 3.4Å; R294-S297 PolarHBondContact O-N 3.33Å; R294-S297 PolarHBondContact O-OG 2.81Å; R294-S297 VanDerWaalsContact O-OG 3.08Å
295V92.7Very high93.2Very high57 Ų5743.7 Ų43.735%0.34525%0.25SC..THydrogen-bonded Turntrans-57.8135.7167.5174.50000108.7W191 V255 S256 I258 S297W191-V295 HydrophobicContact CZ2-CG1 3.95Å; V255-V295 WeakPolarHBondContact O-CA 3.39Å; S256-V295 WeakPolarHBondContact O-CG1 3.32Å; I258-V295 HydrophobicContact CB-CG2 4.3Å; I258-V295 HydrophobicContact CD1-CG2 4.43Å; I258-V295 HydrophobicContact CG1-CG2 4Å; V295-S297 VanDerWaalsContact C-N 3.34Å
296G92.7Very high93.2Very high40 Ų4044.4 Ų44.441%0.41225%0.252SS..THydrogen-bonded Turntrans86-10.4-170.900000115.3V255 R294 K298V255-G296 PolarHBondContact O-N 3.41Å; R294-G296 PolarHBondContact O-N 2.77Å; G296-K298 PolarHBondContact O-N 2.73Å
297S93.8Very high93.2Very high29 Ų2943.6 Ų43.620%0.20325%0.245CC..  trans-64.2128.2173-68.50000111C254 V255 R294 V295C254-S297 WeakPolarHBondContact CA-O 3.41Å; V255-S297 PolarHBondContact N-O 2.78Å; R294-S297 PolarHBondContact N-OG 2.57Å; R294-S297 WeakPolarHBondContact O-CB 3.4Å; R294-S297 PolarHBondContact O-N 3.33Å; R294-S297 PolarHBondContact O-OG 2.81Å; R294-S297 VanDerWaalsContact O-OG 3.08Å; V295-S297 VanDerWaalsContact C-N 3.34Å
298K94.9Very high93Very high46 Ų4646.5 Ų46.520%0.226%0.264CS..EExtended strand (participates in β ladder)trans-92.7128.5170.3-68.3-174.3177.3177.10110.9L253 C254 G296 V357 W359 S361 L363L253-K298 WeakPolarHBondContact O-CA 3.31Å; C254-K298 HydrophobicContact CB-CG 4.36Å; G296-K298 PolarHBondContact O-N 2.73Å; K298-V357 HydrophobicContact CB-CG2 3.63Å; K298-V357 PolarHBondContact O-N 2.86Å; K298-V357 VanDerWaalsContact O-N 3.13Å; K298-W359 WeakPolarHBondContact CE-O 3.43Å; K298-W359 PolarHBondContact NZ-O 2.79Å; K298-S361 PolarHBondContact NZ-O 2.98Å; K298-L363 HydrophobicContact CD-CD2 3.93Å; K298-L363 HydrophobicContact CG-CD2 4.12Å
299L94.4Very high92.4Very high7 Ų747.9 Ų47.94%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-121.8133.4-178.4-56.9176.9000108.9I252 L253 V255 W278 I293 T354 R355I252-L299 WeakPolarHBondContact CA-O 3.43Å; L253-L299 PolarHBondContact N-O 3.23Å; L253-L299 PolarHBondContact O-N 3.08Å; V255-L299 HydrophobicContact CG2-CD1 4.01Å; W278-L299 HydrophobicContact CH2-CD1 4.14Å; I293-L299 HydrophobicContact CD1-CD1 4.41Å; I293-L299 HydrophobicContact CG1-CD2 4.49Å; I293-L299 HydrophobicContact CG2-CD1 4.39Å; L299-T354 HydrophobicContact CB-CG2 4.04Å; L299-T354 HydrophobicContact CD1-CG2 4.22Å; L299-R355 CarbonylContact C-O 3.57Å; L299-R355 WeakPolarHBondContact CA-O 3.1Å
300V93.6Very high91.1Very high0 Ų049.9 Ų49.90%028%0.28CS..EExtended strand (participates in β ladder)trans-91.8138.2159.867.90000109.1R250 L251 I252 T354 R355 V357 Y377R250-V300 HydrophobicContact CG-CG2 3.45Å; R250-V300 VanDerWaalsContact CG-CG2 3.45Å; L251-V300 CarbonylContact O-C 3.56Å; L251-V300 WeakPolarHBondContact O-CA 3.45Å; I252-V300 HydrophobicContact CG1-CB 4.06Å; I252-V300 HydrophobicContact CG1-CG2 3.91Å; V300-T354 CarbonylContact O-C 3.59Å; V300-T354 WeakPolarHBondContact O-CA 3.27Å; V300-R355 HydrophobicContact CG1-CB 4.09Å; V300-R355 PolarHBondContact N-O 3.12Å; V300-R355 PolarHBondContact O-N 2.95Å; V300-V357 HydrophobicContact CB-CG1 3.54Å; V300-V357 HydrophobicContact CG1-CG1 3.5Å; V300-V357 VanDerWaalsContact CG1-CG1 3.5Å; V300-Y377 HydrophobicContact CG1-CE2 4.09Å; V300-Y377 HydrophobicContact CG2-CE2 4.28Å; V300-Y377 PolarHBondContact O-OH 3.09Å
301T93.9Very high89.3Confident1 Ų151.4 Ų51.41%0.00629%0.289CS..EExtended strand (participates in β ladder)trans-133157.6173.9-164.50000110.3R250 L251 A304 L349 S353 T354R250-T301 VanDerWaalsContact CA-O 3.31Å; R250-T301 WeakPolarHBondContact CA-O 3.41Å; L251-T301 HydrophobicContact CB-CG2 3.99Å; L251-T301 PolarHBondContact N-O 2.89Å; L251-T301 PolarHBondContact O-N 2.9Å; T301-A304 HydrophobicContact CG2-CB 4.29Å; T301-L349 HydrophobicContact CG2-CD1 4.42Å; T301-L349 HydrophobicContact CG2-CD2 3.73Å; T301-S353 WeakPolarHBondContact CA-O 3.36Å; T301-S353 PolarHBondContact OG1-O 2.97Å; T301-T354 PolarHBondContact OG1-OG1 3.04Å
302A91.8Very high87.2Confident12 Ų1255.3 Ų55.310%0.09931%0.312CS..SBendtrans-140.6154.5170.100000108.7A304 S353 Y377 S392A302-A304 PolarHBondContact O-N 3.24Å; A302-S353 PolarHBondContact N-O 3.14Å; A302-S353 VanDerWaalsContact O-CB 3.23Å; A302-S353 WeakPolarHBondContact O-CB 3.22Å; A302-Y377 HydrophobicContact CB-CE1 4.06Å; A302-S392 VanDerWaalsContact C-OG 3.27Å; A302-S392 PolarHBondContact O-OG 3.04Å
303G90.6Very high84.9Confident23 Ų2353 Ų5324%0.23731%0.313CS..SBendtrans63.125.8178.400000114.5A248A248-G303 PolarHBondContact O-N 2.81Å
304A94.6Very high82.4Confident3 Ų356.8 Ų56.83%0.02534%0.337CS..  trans-67.6151.9175.200000111.4P247 A248 T301 A302 L347 K348 L349P247-A304 CarbonylContact C-O 3.59Å; P247-A304 HydrophobicContact CB-CB 4.43Å; P247-A304 WeakPolarHBondContact CG-O 3.33Å; A248-A304 PolarHBondContact N-O 2.57Å; T301-A304 HydrophobicContact CG2-CB 4.29Å; A302-A304 PolarHBondContact O-N 3.24Å; A304-L347 HydrophobicContact CB-CD1 3.99Å; A304-L347 HydrophobicContact CB-CG 4.22Å; A304-K348 WeakPolarHBondContact CA-O 3.45Å; A304-K348 WeakPolarHBondContact CB-O 3.48Å; A304-L349 HydrophobicContact CB-CD2 3.59Å
305E94.9Very high79.7Confident52 Ų5259.1 Ų59.124%0.24335%0.351CS..EExtended strand (participates in β ladder)trans-115.3137.5-177.7-51-174.6138.100109.7K348 H350 R593E305-K348 HydrophobicContact CB-CB 4.17Å; E305-K348 HydrophobicContact CB-CD 4.04Å; E305-K348 HydrophobicContact CG-CD 4.34Å; E305-K348 PolarHBondContact N-O 2.67Å; E305-K348 VanDerWaalsContact N-O 3.15Å; E305-K348 WeakPolarHBondContact O-CB 3.3Å; E305-K348 PolarHBondContact O-N 3.27Å; E305-K348 VanDerWaalsContact OE2-CD 3.24Å; E305-K348 WeakPolarHBondContact OE2-CD 3.48Å; E305-K348 IonicContact OE2-NZ 3.44Å; E305-K348 PolarHBondContact OE2-NZ 3.18Å; E305-H350 IonicContact OE2-NE2 2.84Å; E305-R593 IonicContact OE1-NH2 3.11Å; E305-R593 PolarHBondContact OE1-NH2 3.4Å; E305-R593 VanDerWaalsContact OE1-NH2 3.09Å
306L95Very high76.9Confident49 Ų4960.3 Ų60.326%0.25736%0.363SS..EExtended strand (participates in β ladder)trans-89.5124174.6-175.166.3000109V240 P247 I276 M345V240-L306 HydrophobicContact CG1-CD1 4.44Å; V240-L306 HydrophobicContact CG1-CD2 4.49Å; P247-L306 HydrophobicContact CG-CB 3.97Å; I276-L306 HydrophobicContact CD1-CD1 3.92Å; L306-M345 HydrophobicContact CD1-CB 4.2Å; L306-M345 HydrophobicContact CD1-SD 4.29Å; L306-M345 HydrophobicContact CD2-SD 3.91Å; L306-M345 HydrophobicContact CG-SD 4.36Å
307I92.8Very high73.9Confident58 Ų5866 Ų6630%0.29738%0.378SS..EExtended strand (participates in β ladder)trans-106.8128.4178.4-62.9178000108.5T309 M345 A346 K348I307-T309 HydrophobicContact CG2-CG2 4.35Å; I307-M345 CarbonylContact O-C 3.57Å; I307-M345 WeakPolarHBondContact O-CA 3.31Å; I307-A346 PolarHBondContact N-O 3.4Å; I307-A346 PolarHBondContact O-N 3.21Å; I307-K348 HydrophobicContact CD1-CB 3.73Å; I307-K348 HydrophobicContact CD1-CD 4.11Å; I307-K348 HydrophobicContact CD1-CG 4.02Å; I307-K348 HydrophobicContact CG1-CB 4.12Å
308V87.8Confident71.1Confident108 Ų10870 Ų7066%0.65540%0.404SS*.EExtended strand (participates in β ladder)trans-76.1125.3165.2-179.90000108.5G344V308-G344 CarbonylContact C-O 3.55Å; V308-G344 WeakPolarHBondContact CA-O 3.46Å
309T81.4Confident68Low37 Ų3777.7 Ų77.723%0.22744%0.437CS..  trans-105.1132.4177.154.80000109.9I307 G344 M345 A346I307-T309 HydrophobicContact CG2-CG2 4.35Å; T309-G344 PolarHBondContact N-O 3.21Å; T309-G344 CarbonylContact O-C 3.51Å; T309-G344 VanDerWaalsContact O-CA 3.32Å; T309-G344 WeakPolarHBondContact O-CA 3.39Å; T309-G344 WeakPolarHBondContact OG1-CA 3.38Å; T309-G344 PolarHBondContact OG1-O 3.45Å; T309-M345 PolarHBondContact OG1-N 3.29Å; T309-A346 HydrophobicContact CG2-CB 3.76Å
310N64.8Low65Low124 Ų12480.2 Ų80.266%0.66346%0.464SS*.  trans-64.4128.2174.4-70-18.4000109.1S312N310-S312 PolarHBondContact O-N 2.92Å
311P54.4Low61.8Low96 Ų9689.8 Ų89.862%0.62351%0.506SS*.THydrogen-bonded Turntrans-71.614.4-175.229-35.8000114.3
312S46.6Very low58.6Low108 Ų10896.2 Ų96.276%0.75555%0.55SS*.THydrogen-bonded Turntrans-88.94.1-177.960.30000114.6N310N310-S312 PolarHBondContact O-N 2.92Å
313S45.1Very low55.7Low88 Ų88100.5 Ų100.562%0.61558%0.579SS**SBendtrans-103-13.4-174.765.50000114.9
314T41.6Very low52.8Low91 Ų91105 Ų10556%0.55861%0.607SS**SBendtrans-88.8121.916840.40000109.7S316T314-S316 WeakPolarHBondContact CB-OG 3.31Å; T314-S316 PolarHBondContact O-N 2.96Å; T314-S316 PolarHBondContact OG1-OG 2.95Å
315K36.6Very low49.7Very low212 Ų212108.1 Ų108.192%0.92264%0.639SS**  trans-72.419.8172-71.1-173.2177.1179.90113.4Q317K315-Q317 PolarHBondContact O-N 2.88Å
316S34.7Very low46.7Very low83 Ų83113.7 Ų113.758%0.5867%0.67SS**  trans-70.182.2162.454.70000108.7T314 P318T314-S316 WeakPolarHBondContact CB-OG 3.31Å; T314-S316 PolarHBondContact O-N 2.96Å; T314-S316 PolarHBondContact OG1-OG 2.95Å; S316-P318 WeakPolarHBondContact O-CD 3.49Å
317Q29Very low44Very low159 Ų159118.7 Ų118.774%0.74370%0.697SS**  trans-47.4124.8161-82.9-86.4-17.100108.7K315 K319K315-Q317 PolarHBondContact O-N 2.88Å; Q317-K319 PolarHBondContact O-N 2.8Å
318P33.8Very low41.5Very low113 Ų113124.9 Ų124.973%0.73473%0.725SS**  trans-65.692.116127.9-31.1000107.1S316 G320S316-P318 WeakPolarHBondContact O-CD 3.49Å; P318-G320 PolarHBondContact O-N 2.78Å
319K30.2Very low39.2Very low208 Ų208127.6 Ų127.690%0.90473%0.734SS**  trans-66.2101.6177.8-93.1-169.9172.5-1750108.6Q317Q317-K319 PolarHBondContact O-N 2.8Å
320G31.2Very low37.6Very low59 Ų59129 Ų12961%0.60874%0.74SS**  trans131115.717400000111.6P318P318-G320 PolarHBondContact O-N 2.78Å
321K26.5Very low36.8Very low201 Ų201130 Ų13087%0.87474%0.741SS**  trans-64.5138.1150.7-66.1173.4177.3176.70106.7S323K321-S323 PolarHBondContact O-N 3.09Å
322C28.1Very low36.4Very low137 Ų137130.7 Ų130.793%0.92673%0.734SS**  trans-65.7101.5169.2-58.30000109.1
323S30.3Very low36.7Very low102 Ų102132 Ų13271%0.71373%0.726SS**  trans-96.4119.8164.5-69.20000108.2K321K321-S323 PolarHBondContact O-N 3.09Å
324S29.8Very low37.4Very low118 Ų118133.9 Ų133.983%0.82573%0.725SS**SBendtrans48.8112160.658.10000119.5
325G30.1Very low38.9Very low68 Ų68130.4 Ų130.470%0.70170%0.703SS**SBendtrans99.8131145.900000116.4
326D31.7Very low41Very low168 Ų168121.4 Ų121.490%0.89866%0.664SS**  trans39.284.5149.8-54-17.3000118.4
327D38Very low43Very low154 Ų154118.6 Ų118.682%0.82465%0.648SS**  trans-144.5133.5149.4-128.3-18.5000108.4I329D327-I329 PolarHBondContact O-N 2.97Å
328Q39.7Very low45Very low189 Ų189116.9 Ų116.988%0.88364%0.644SS**  trans-71.3132.6177.9-68.6-172.41000109.3D330Q328-D330 VanDerWaalsContact C-N 3.3Å; Q328-D330 PolarHBondContact O-N 2.84Å
329I39.5Very low46.8Very low165 Ų165115 Ų11585%0.84663%0.628SS**  trans-72.790.2-179.9-56.3178000108.7D327 E331D327-I329 PolarHBondContact O-N 2.97Å; I329-E331 PolarHBondContact O-N 3.07Å
330D47.2Very low49.2Very low65 Ų65105.2 Ų105.235%0.34859%0.586SS.*  trans-54.498.6171.9174.611000110.1T178 Q328 F332 K333T178-D330 WeakPolarHBondContact CG2-OD2 3.49Å; Q328-D330 VanDerWaalsContact C-N 3.3Å; Q328-D330 PolarHBondContact O-N 2.84Å; D330-F332 PolarHBondContact O-N 2.96Å; D330-K333 HydrophobicContact CB-CB 4.14Å; D330-K333 HydrophobicContact CB-CD 4.32Å; D330-K333 WeakPolarHBondContact O-CB 3.29Å; D330-K333 PolarHBondContact O-N 2.86Å
331E48.4Very low51.9Low146 Ų146103.4 Ų103.468%0.68256%0.563SS**THydrogen-bonded Turntrans-61.6-22.5-160-167.4170.4-172.600112.9I329 H334I329-E331 PolarHBondContact O-N 3.07Å; E331-H334 PolarHBondContact O-CE1 2.89Å; E331-H334 PolarHBondContact O-ND1 2.83Å
332F46.7Very low54.9Low110 Ų11094.2 Ų94.248%0.48252%0.524SS..THydrogen-bonded Turntrans-97.8-7.4-178.9-62.6-80.6000114.8D330 H334 L335D330-F332 PolarHBondContact O-N 2.96Å; F332-H334 PolarHBondContact O-N 2.95Å; F332-L335 HydrophobicContact CD1-CD1 4.38Å; F332-L335 PolarHBondContact O-N 3.39Å; F332-L335 VanDerWaalsContact O-N 3.09Å
333K53.4Low57.7Low135 Ų13590.9 Ų90.959%0.58750%0.499SS*.THydrogen-bonded Turntrans-65.1-7.5-179.4-155.7171.6-176.8175.90114D330D330-K333 HydrophobicContact CB-CB 4.14Å; D330-K333 HydrophobicContact CB-CD 4.32Å; D330-K333 WeakPolarHBondContact O-CB 3.29Å; D330-K333 PolarHBondContact O-N 2.86Å
334H59.7Low60.4Low128 Ų12887 Ų8759%0.59348%0.475SS*.THydrogen-bonded Turntrans-84-16.6174.777.4-89.8000114.3E331 F332E331-H334 PolarHBondContact O-CE1 2.89Å; E331-H334 PolarHBondContact O-ND1 2.83Å; F332-H334 PolarHBondContact O-N 2.95Å
335L72.9Confident63.2Low18 Ų1882.4 Ų82.49%0.09444%0.441CS..THydrogen-bonded Turntrans-93.1-24.7-175.8-67.2178.3000114.1I241 E242 F332 A342 V343 M345I241-L335 HydrophobicContact CG2-CB 4.47Å; I241-L335 HydrophobicContact CG2-CD2 4.42Å; E242-L335 HydrophobicContact CG-CD1 4Å; F332-L335 HydrophobicContact CD1-CD1 4.38Å; F332-L335 PolarHBondContact O-N 3.39Å; F332-L335 VanDerWaalsContact O-N 3.09Å; L335-A342 CarbonylContact O-C 3.57Å; L335-A342 WeakPolarHBondContact O-CA 3.3Å; L335-V343 PolarHBondContact O-N 2.92Å; L335-M345 HydrophobicContact CD2-CE 4.45Å
336Y80.8Confident66.3Low24 Ų2479.2 Ų79.29%0.09441%0.408CS..BIsolated β-bridgetrans-134.8139.3-174.6-64.8-81.6000111.2R238 I241 Y274 V341 A342R238-Y336 WeakPolarHBondContact CA-OH 3.48Å; I241-Y336 HydrophobicContact CD1-CE1 3.69Å; I241-Y336 VanDerWaalsContact CD1-OH 3.23Å; I241-Y336 WeakPolarHBondContact CD1-OH 3.17Å; Y274-Y336 AromaticContact CD1-CD1 3.67Å; Y274-Y336 HydrophobicContact CD1-CD1 3.67Å; Y274-Y336 AromaticContact CD1-CE1 3.42Å; Y274-Y336 HydrophobicContact CD1-CE1 3.42Å; Y274-Y336 VanDerWaalsContact CD1-CE1 3.42Å; Y274-Y336 HydrophobicContact CD1-CE2 4.44Å; Y274-Y336 HydrophobicContact CD1-CG 4.28Å; Y274-Y336 AromaticContact CD1-CZ 3.85Å; Y274-Y336 HydrophobicContact CE1-CD1 4.17Å; Y274-Y336 HydrophobicContact CE1-CD2 4.4Å; Y274-Y336 HydrophobicContact CE1-CE1 4.07Å; Y274-Y336 HydrophobicContact CE1-CE2 4.3Å; Y274-Y336 HydrophobicContact CE1-CG 4.34Å; Y274-Y336 AromaticContact CG-CE1 3.87Å; Y274-Y336 HydrophobicContact CG-CE1 3.87Å; Y336-V341 WeakPolarHBondContact CA-O 3.2Å; Y336-A342 HydrophobicContact CE1-CB 4.39Å
337G76.7Confident69.3Low24 Ų2471.2 Ų71.225%0.24737%0.366CS..  trans-76.8169.3168.900000111.6D339 G340 V341 V343G337-D339 PolarHBondContact O-N 2.81Å; G337-G340 PolarHBondContact O-N 2.83Å; G337-V341 PolarHBondContact N-O 2.94Å; G337-V343 VanDerWaalsContact N-CG2 3.35Å
338D70.6Confident72.1Confident123 Ų12367.2 Ų67.266%0.65834%0.341SS*.THydrogen-bonded Turntrans-62-13.4177-55.3-63.2000113.3
339D72.4Confident74.7Confident73 Ų7358.3 Ų58.339%0.3930%0.299SS..THydrogen-bonded Turntrans-91.83.9173.770.6-11.4000114.3Q275 G337 V341Q275-D339 PolarHBondContact NE2-O 3.19Å; G337-D339 PolarHBondContact O-N 2.81Å; D339-V341 VanDerWaalsContact C-N 3.25Å; D339-V341 VanDerWaalsContact CG-CG2 3.49Å; D339-V341 PolarHBondContact O-N 3.1Å; D339-V341 WeakPolarHBondContact OD1-CB 3.48Å; D339-V341 WeakPolarHBondContact OD1-CG2 3.45Å; D339-V341 PolarHBondContact OD1-N 2.97Å; D339-V341 VanDerWaalsContact OD2-CG2 3.29Å; D339-V341 WeakPolarHBondContact OD2-CG2 3.48Å
340G80.1Confident77.4Confident3 Ų350.9 Ų50.93%0.03126%0.261CS..SBendtrans72.810.8-178.400000114.9Q275 G337Q275-G340 PolarHBondContact N-O 2.7Å; G337-G340 PolarHBondContact O-N 2.83Å
341V87.1Confident79.6Confident21 Ų2147.8 Ų47.813%0.12725%0.245CC..EExtended strand (participates in β ladder)trans-85.5135.4174-175.50000110.2Q275 Y336 G337 D339 V343Q275-V341 HydrophobicContact CB-CB 4.26Å; Q275-V341 HydrophobicContact CB-CG2 3.7Å; Q275-V341 HydrophobicContact CG-CG2 4.39Å; Q275-V341 WeakPolarHBondContact O-CA 3.35Å; Y336-V341 WeakPolarHBondContact CA-O 3.2Å; G337-V341 PolarHBondContact N-O 2.94Å; D339-V341 VanDerWaalsContact C-N 3.25Å; D339-V341 VanDerWaalsContact CG-CG2 3.49Å; D339-V341 PolarHBondContact O-N 3.1Å; D339-V341 WeakPolarHBondContact OD1-CB 3.48Å; D339-V341 WeakPolarHBondContact OD1-CG2 3.45Å; D339-V341 PolarHBondContact OD1-N 2.97Å; D339-V341 VanDerWaalsContact OD2-CG2 3.29Å; D339-V341 WeakPolarHBondContact OD2-CG2 3.48Å; V341-V343 PolarHBondContact O-N 3.1Å
342A90Very high81.8Confident7 Ų740.9 Ų40.96%0.05821%0.212CC..EExtended strand (participates in β ladder)trans-57.7128.217400000112I241 Q275 I276 L335 Y336I241-A342 HydrophobicContact CD1-CB 3.53Å; I241-A342 HydrophobicContact CG1-CB 4.1Å; Q275-A342 PolarHBondContact O-N 2.92Å; I276-A342 HydrophobicContact CB-CB 4.36Å; I276-A342 HydrophobicContact CD1-CB 4.49Å; I276-A342 HydrophobicContact CG1-CB 4Å; L335-A342 CarbonylContact O-C 3.57Å; L335-A342 WeakPolarHBondContact O-CA 3.3Å; Y336-A342 HydrophobicContact CE1-CB 4.39Å
343V86.7Confident84Confident67 Ų6735.6 Ų35.641%0.40619%0.189SC..EExtended strand (participates in β ladder)trans-92.9138.7179.6179.50000109.8L335 G337 V341 M345L335-V343 PolarHBondContact O-N 2.92Å; G337-V343 VanDerWaalsContact N-CG2 3.35Å; V341-V343 PolarHBondContact O-N 3.1Å; V343-M345 PolarHBondContact O-N 2.94Å; V343-M345 VanDerWaalsContact O-N 3.11Å
344G86.1Confident85.9Confident20 Ų2029.6 Ų29.621%0.20616%0.164CC..EExtended strand (participates in β ladder)trans66.410177.600000115.4V308 T309V308-G344 CarbonylContact C-O 3.55Å; V308-G344 WeakPolarHBondContact CA-O 3.46Å; T309-G344 PolarHBondContact N-O 3.21Å; T309-G344 CarbonylContact O-C 3.51Å; T309-G344 VanDerWaalsContact O-CA 3.32Å; T309-G344 WeakPolarHBondContact O-CA 3.39Å; T309-G344 WeakPolarHBondContact OG1-CA 3.38Å; T309-G344 PolarHBondContact OG1-O 3.45Å
345M90.4Very high87.4Confident23 Ų2325.1 Ų25.111%0.11314%0.142CC..EExtended strand (participates in β ladder)trans-136.7148.6177.8-60.6-164-166.200112.2I241 L306 I307 T309 L335 V343I241-M345 HydrophobicContact CG2-SD 4.11Å; I241-M345 WeakPolarHBondContact O-CE 3.43Å; L306-M345 HydrophobicContact CD1-CB 4.2Å; L306-M345 HydrophobicContact CD1-SD 4.29Å; L306-M345 HydrophobicContact CD2-SD 3.91Å; L306-M345 HydrophobicContact CG-SD 4.36Å; I307-M345 CarbonylContact O-C 3.57Å; I307-M345 WeakPolarHBondContact O-CA 3.31Å; T309-M345 PolarHBondContact OG1-N 3.29Å; L335-M345 HydrophobicContact CD2-CE 4.45Å; V343-M345 PolarHBondContact O-N 2.94Å; V343-M345 VanDerWaalsContact O-N 3.11Å
346A94Very high88.3Confident1 Ų128.5 Ų28.51%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-145.9146173.600000111.3A277 H279 I307 T309A277-A346 HydrophobicContact CB-CB 4.09Å; A277-A346 CarbonylContact O-C 3.55Å; A277-A346 WeakPolarHBondContact O-CA 3.3Å; A277-A346 WeakPolarHBondContact O-CB 3.21Å; H279-A346 VanDerWaalsContact CE1-CB 3.45Å; H279-A346 WeakPolarHBondContact CE1-CB 3.14Å; H279-A346 WeakPolarHBondContact ND1-CB 3.01Å; I307-A346 PolarHBondContact N-O 3.4Å; I307-A346 PolarHBondContact O-N 3.21Å; T309-A346 HydrophobicContact CG2-CB 3.76Å
347L95.9Very high88.8Confident0 Ų028.1 Ų28.10%017%0.165CC..EExtended strand (participates in β ladder)trans-85.8139.2175.8-162.964.3000110.7P247 L253 L269 I276 A277 W278 H279 A304 L349P247-L347 HydrophobicContact CB-CD1 3.67Å; L253-L347 HydrophobicContact CD1-CD2 3.69Å; L269-L347 HydrophobicContact CD1-CD2 4.14Å; I276-L347 HydrophobicContact CD1-CB 4.24Å; I276-L347 HydrophobicContact CG2-CB 4.24Å; A277-L347 PolarHBondContact O-N 2.75Å; W278-L347 CarbonylContact C-O 3.59Å; W278-L347 WeakPolarHBondContact CA-O 3.47Å; W278-L347 HydrophobicContact CB-CB 4.3Å; W278-L347 WeakPolarHBondContact CB-O 3.29Å; H279-L347 PolarHBondContact N-O 2.67Å; A304-L347 HydrophobicContact CB-CD1 3.99Å; A304-L347 HydrophobicContact CB-CG 4.22Å; L347-L349 HydrophobicContact CD2-CD2 3.68Å; L347-L349 HydrophobicContact CG-CD2 3.84Å
348K95.6Very high89.2Confident69 Ų6928.6 Ų28.630%0.316%0.164SC..EExtended strand (participates in β ladder)trans-106.1117.4173.2-172.2-160.6-170.7179.80108.6A304 E305 I307A304-K348 WeakPolarHBondContact CA-O 3.45Å; A304-K348 WeakPolarHBondContact CB-O 3.48Å; E305-K348 HydrophobicContact CB-CB 4.17Å; E305-K348 HydrophobicContact CB-CD 4.04Å; E305-K348 HydrophobicContact CG-CD 4.34Å; E305-K348 PolarHBondContact N-O 2.67Å; E305-K348 VanDerWaalsContact N-O 3.15Å; E305-K348 WeakPolarHBondContact O-CB 3.3Å; E305-K348 PolarHBondContact O-N 3.27Å; E305-K348 VanDerWaalsContact OE2-CD 3.24Å; E305-K348 WeakPolarHBondContact OE2-CD 3.48Å; E305-K348 IonicContact OE2-NZ 3.44Å; E305-K348 PolarHBondContact OE2-NZ 3.18Å; I307-K348 HydrophobicContact CD1-CB 3.73Å; I307-K348 HydrophobicContact CD1-CD 4.11Å; I307-K348 HydrophobicContact CD1-CG 4.02Å; I307-K348 HydrophobicContact CG1-CB 4.12Å
349L95.5Very high89.8Confident2 Ų230.1 Ų30.11%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-103.3143.1175.1-60.7-160000110.4L269 W278 H279 L284 T301 A304 L347 T354L269-L349 HydrophobicContact CD1-CD1 3.75Å; L269-L349 HydrophobicContact CD1-CG 4.19Å; W278-L349 HydrophobicContact CE3-CB 3.87Å; W278-L349 HydrophobicContact CE3-CD1 3.78Å; W278-L349 HydrophobicContact CE3-CG 3.69Å; W278-L349 HydrophobicContact CZ3-CB 3.92Å; W278-L349 HydrophobicContact CZ3-CD1 3.76Å; W278-L349 HydrophobicContact CZ3-CG 4.03Å; H279-L349 PolarHBondContact O-N 3.3Å; L284-L349 HydrophobicContact CD1-CB 3.83Å; L284-L349 WeakPolarHBondContact CD1-O 3.31Å; T301-L349 HydrophobicContact CG2-CD1 4.42Å; T301-L349 HydrophobicContact CG2-CD2 3.73Å; A304-L349 HydrophobicContact CB-CD2 3.59Å; L347-L349 HydrophobicContact CD2-CD2 3.68Å; L347-L349 HydrophobicContact CG-CD2 3.84Å; L349-T354 HydrophobicContact CD1-CG2 4.09Å
350H94.6Very high90.3Very high9 Ų927.9 Ų27.94%0.04215%0.151CC..  trans-102.8128.2174-67-59.1000109.9D281 E305 N352 S353 T354 G388 I390D281-H350 WeakPolarHBondContact OD2-CA 3.24Å; E305-H350 IonicContact OE2-NE2 2.84Å; H350-N352 VanDerWaalsContact C-N 3.28Å; H350-N352 PolarHBondContact O-N 2.97Å; H350-S353 CarbonylContact O-C 3.57Å; H350-S353 VanDerWaalsContact O-C 3.23Å; H350-S353 WeakPolarHBondContact O-CA 3.48Å; H350-S353 PolarHBondContact O-N 2.83Å; H350-T354 VanDerWaalsContact O-CB 3.28Å; H350-T354 WeakPolarHBondContact O-CB 3.47Å; H350-T354 PolarHBondContact O-N 2.84Å; H350-T354 PolarHBondContact O-OG1 2.93Å; H350-G388 CarbonylContact C-O 3.58Å; H350-I390 WeakPolarHBondContact CB-O 3.32Å; H350-I390 PolarHBondContact ND1-N 3.09Å
351G94.3Very high90.7Very high1 Ų128.5 Ų28.51%0.0116%0.155CC..G310 helixtrans-62.9-32.7179.600000113D281 S353 R355 G388D281-G351 PolarHBondContact OD2-N 3.16Å; G351-S353 PolarHBondContact O-N 2.68Å; G351-R355 PolarHBondContact O-NH1 3.02Å; G351-G388 PolarHBondContact N-O 3.32Å; G351-G388 VanDerWaalsContact N-O 3.09Å
352N93.6Very high90.8Very high0 Ų036.8 Ų36.80%018%0.184CC..G310 helixtrans-69.2-20.5171-69.5-35.5000112.8H350 L384 S385 G388 G389 C391 V596H350-N352 VanDerWaalsContact C-N 3.28Å; H350-N352 PolarHBondContact O-N 2.97Å; N352-L384 HydrophobicContact CB-CD2 4.19Å; N352-L384 WeakPolarHBondContact OD1-CA 3.24Å; N352-S385 PolarHBondContact ND2-O 2.89Å; N352-S385 PolarHBondContact OD1-N 2.72Å; N352-G388 VanDerWaalsContact CB-O 3.29Å; N352-G388 WeakPolarHBondContact CB-O 3.49Å; N352-G388 PolarHBondContact N-O 2.83Å; N352-G388 PolarHBondContact ND2-O 2.69Å; N352-G389 PolarHBondContact ND2-O 2.69Å; N352-C391 HydrophobicContact CB-CB 4.06Å; N352-V596 HydrophobicContact CB-CG2 4.5Å; N352-V596 WeakPolarHBondContact ND2-CB 3.32Å; N352-V596 VanDerWaalsContact ND2-CG2 3.28Å; N352-V596 WeakPolarHBondContact ND2-CG2 3.4Å
353S93.7Very high91.1Very high0 Ų038.3 Ų38.30%019%0.191CC..G310 helixtrans-113.914.7178.4-60.30000114.4T301 A302 H350 G351 Y377 I390 C391 S392T301-S353 WeakPolarHBondContact CA-O 3.36Å; T301-S353 PolarHBondContact OG1-O 2.97Å; A302-S353 PolarHBondContact N-O 3.14Å; A302-S353 VanDerWaalsContact O-CB 3.23Å; A302-S353 WeakPolarHBondContact O-CB 3.22Å; H350-S353 CarbonylContact O-C 3.57Å; H350-S353 VanDerWaalsContact O-C 3.23Å; H350-S353 WeakPolarHBondContact O-CA 3.48Å; H350-S353 PolarHBondContact O-N 2.83Å; G351-S353 PolarHBondContact O-N 2.68Å; S353-Y377 PolarHBondContact O-OH 3.3Å; S353-I390 PolarHBondContact OG-O 2.85Å; S353-C391 WeakPolarHBondContact OG-CA 3.47Å; S353-S392 VanDerWaalsContact CB-OG 3.24Å; S353-S392 WeakPolarHBondContact CB-OG 3.49Å; S353-S392 WeakPolarHBondContact OG-CB 3.32Å; S353-S392 PolarHBondContact OG-N 3.42Å; S353-S392 PolarHBondContact OG-OG 2.77Å
354T93.7Very high91.5Very high8 Ų835.5 Ų35.55%0.04918%0.175CC..EExtended strand (participates in β ladder)trans-129.7134.9-178.3-55.10000110.2L284 L299 V300 T301 L349 H350L284-T354 HydrophobicContact CD2-CG2 4.19Å; L299-T354 HydrophobicContact CB-CG2 4.04Å; L299-T354 HydrophobicContact CD1-CG2 4.22Å; V300-T354 CarbonylContact O-C 3.59Å; V300-T354 WeakPolarHBondContact O-CA 3.27Å; T301-T354 PolarHBondContact OG1-OG1 3.04Å; L349-T354 HydrophobicContact CD1-CG2 4.09Å; H350-T354 VanDerWaalsContact O-CB 3.28Å; H350-T354 WeakPolarHBondContact O-CB 3.47Å; H350-T354 PolarHBondContact O-N 2.84Å; H350-T354 PolarHBondContact O-OG1 2.93Å
355R91.9Very high91.8Very high35 Ų3537.3 Ų37.313%0.13218%0.178CC..EExtended strand (participates in β ladder)trans-142.9148.7-175-64.8-68.7177.9-9711.1110.2L299 V300 G351 T383L299-R355 CarbonylContact C-O 3.57Å; L299-R355 WeakPolarHBondContact CA-O 3.1Å; V300-R355 HydrophobicContact CG1-CB 4.09Å; V300-R355 PolarHBondContact N-O 3.12Å; V300-R355 PolarHBondContact O-N 2.95Å; G351-R355 PolarHBondContact O-NH1 3.02Å; R355-T383 PolarHBondContact NH2-OG1 3.41Å
356P91.7Very high91.8Very high88 Ų8838.1 Ų38.157%0.57118%0.184SC*.EExtended strand (participates in β ladder)trans-66.9153171.230.2-35.3000111
357V89.4Confident91.1Very high17 Ų1743.7 Ų43.710%0.10322%0.218CC..  trans-126.7167.8171.8-63.70000111.7I252 K298 V300 P370I252-V357 HydrophobicContact CG2-CG2 3.84Å; K298-V357 HydrophobicContact CB-CG2 3.63Å; K298-V357 PolarHBondContact O-N 2.86Å; K298-V357 VanDerWaalsContact O-N 3.13Å; V300-V357 HydrophobicContact CB-CG1 3.54Å; V300-V357 HydrophobicContact CG1-CG1 3.5Å; V300-V357 VanDerWaalsContact CG1-CG1 3.5Å; V357-P370 HydrophobicContact CG1-CB 4.3Å; V357-P370 HydrophobicContact CG1-CG 3.74Å
358S85.7Confident89.8Confident33 Ų3351.7 Ų51.723%0.23125%0.253CS..  trans-55.8143.3174.3-177.40000112.2C360 S361S358-C360 PolarHBondContact O-N 2.88Å; S358-C360 VanDerWaalsContact O-N 3.1Å; S358-C360 PolarHBondContact OG-SG 2.66Å; S358-S361 VanDerWaalsContact O-CB 3.31Å; S358-S361 WeakPolarHBondContact O-CB 3.47Å; S358-S361 PolarHBondContact O-N 3.07Å; S358-S361 PolarHBondContact O-OG 2.86Å; S358-S361 VanDerWaalsContact O-OG 3.1Å
359W82.8Confident88.5Confident155 Ų15551.1 Ų51.159%0.58725%0.251SS*.THydrogen-bonded Turntrans-55.1-30.4177.569-93.1000112.3Y200 K298 S361Y200-W359 VanDerWaalsContact OH-CH2 3.31Å; Y200-W359 WeakPolarHBondContact OH-CH2 3.47Å; K298-W359 WeakPolarHBondContact CE-O 3.43Å; K298-W359 PolarHBondContact NZ-O 2.79Å; W359-S361 VanDerWaalsContact C-N 3.33Å; W359-S361 PolarHBondContact O-N 2.86Å
360C83.1Confident86.7Confident26 Ų2651.7 Ų51.718%0.17626%0.255CS..THydrogen-bonded Turntrans-79.8-11.5-177.272.30000113.7R56 S358R56-C360 PolarHBondContact NH2-O 3.31Å; S358-C360 PolarHBondContact O-N 2.88Å; S358-C360 VanDerWaalsContact O-N 3.1Å; S358-C360 PolarHBondContact OG-SG 2.66Å
361S88.3Confident84.8Confident17 Ų1756.6 Ų56.612%0.11929%0.29CS..PPolyproline II helixtrans-59.5143.1-176.6-61.50000112.9K298 S358 W359K298-S361 PolarHBondContact NZ-O 2.98Å; S358-S361 VanDerWaalsContact O-CB 3.31Å; S358-S361 WeakPolarHBondContact O-CB 3.47Å; S358-S361 PolarHBondContact O-N 3.07Å; S358-S361 PolarHBondContact O-OG 2.86Å; S358-S361 VanDerWaalsContact O-OG 3.1Å; W359-S361 VanDerWaalsContact C-N 3.33Å; W359-S361 PolarHBondContact O-N 2.86Å
362R90.7Very high82.7Confident195 Ų19559.4 Ų59.474%0.73631%0.309SS*.PPolyproline II helixtrans-73.5139.8176.5-173.1175.8-179.6127.12.8110I252I252-R362 WeakPolarHBondContact CB-O 3.32Å; I252-R362 WeakPolarHBondContact CG2-O 3.31Å
363L94.7Very high80.7Confident39 Ų3961.1 Ų61.120%0.20433%0.327CS..PPolyproline II helixtrans-84.8160.8175.4-58.2-175.8000111.6I252 C254 D271 K298I252-L363 HydrophobicContact CG2-CD2 3.91Å; I252-L363 CarbonylContact O-C 3.6Å; I252-L363 WeakPolarHBondContact O-CA 3.29Å; C254-L363 HydrophobicContact CB-CD1 3.95Å; C254-L363 HydrophobicContact CB-CD2 4.17Å; D271-L363 WeakPolarHBondContact O-CB 3.32Å; K298-L363 HydrophobicContact CD-CD2 3.93Å; K298-L363 HydrophobicContact CG-CD2 4.12Å
364G95.3Very high78.4Confident8 Ų863 Ų638%0.08234%0.342CS..EExtended strand (participates in β ladder)trans97-158.6-177.300000113.1I252I252-G364 PolarHBondContact N-O 3.09Å; I252-G364 PolarHBondContact O-N 3.26Å
365F93.8Very high76.4Confident58 Ų5863 Ų6325%0.25435%0.345SS..EExtended strand (participates in β ladder)trans-65.9144177.1-65.3-61.8000112.2A236 V240 D245 R249 L251A236-F365 HydrophobicContact CB-CD2 3.67Å; A236-F365 HydrophobicContact CB-CE2 3.78Å; A236-F365 HydrophobicContact CB-CG 4.11Å; A236-F365 HydrophobicContact CB-CZ 4.31Å; V240-F365 HydrophobicContact CG2-CE1 4.27Å; V240-F365 HydrophobicContact CG2-CZ 3.85Å; D245-F365 HydrophobicContact CB-CE2 4.29Å; D245-F365 HydrophobicContact CB-CZ 3.9Å; D245-F365 WeakPolarHBondContact OD2-CE2 3.49Å; D245-F365 VanDerWaalsContact OD2-CZ 3.31Å; D245-F365 WeakPolarHBondContact OD2-CZ 3.47Å; R249-F365 HydrophobicContact CB-CD1 3.78Å; R249-F365 HydrophobicContact CB-CE1 3.81Å; R249-F365 HydrophobicContact CG-CE1 4.31Å; L251-F365 HydrophobicContact CD1-CE1 4.44Å; L251-F365 HydrophobicContact CD2-CD1 3.41Å; L251-F365 VanDerWaalsContact CD2-CD1 3.41Å; L251-F365 HydrophobicContact CD2-CE1 3.57Å; L251-F365 HydrophobicContact CD2-CG 4.11Å; L251-F365 HydrophobicContact CD2-CZ 4.37Å; L251-F365 HydrophobicContact CG-CD1 3.93Å; L251-F365 HydrophobicContact CG-CE1 4.01Å
366T88.8Confident75Confident40 Ų4065.2 Ų65.225%0.24536%0.358CS..  trans-136.5141.2168.3-1780000111.6R250 I252 K368R250-T366 HydrophobicContact CB-CG2 4.24Å; R250-T366 HydrophobicContact CG-CG2 3.87Å; R250-T366 PolarHBondContact O-N 2.9Å; I252-T366 HydrophobicContact CD1-CG2 3.93Å; I252-T366 HydrophobicContact CG1-CG2 3.92Å; T366-K368 PolarHBondContact OG1-O 3.4Å
367T79.6Confident74.1Confident117 Ų11761.8 Ų61.872%0.71833%0.334SS*.SBendtrans-95-45.7172.450.80000111.4R250R250-T367 PolarHBondContact NH1-O 2.73Å
368K69.9Low74Confident169 Ų16962.2 Ų62.274%0.73534%0.337SS*.SBendtrans-67.9157.8174.5-62.7-170.6177-172.20110.9R250 T366R250-K368 PolarHBondContact NH1-O 3.15Å; T366-K368 PolarHBondContact OG1-O 3.4Å
369Q66.5Low74.2Confident56 Ų5660.8 Ų60.826%0.26233%0.328SS..PPolyproline II helixtrans-71.7154.4163.9-65.2-6411.400109.9S371 G375 L376 Y377Q369-S371 PolarHBondContact O-N 3.4Å; Q369-G375 PolarHBondContact OE1-O 2.72Å; Q369-L376 HydrophobicContact CB-CD2 4.42Å; Q369-L376 HydrophobicContact CG-CD2 4.24Å; Q369-Y377 VanDerWaalsContact NE2-N 3.1Å; Q369-Y377 PolarHBondContact NE2-O 3.47Å
370P59.6Low74.5Confident14 Ų1454.1 Ų54.19%0.09130%0.304CS..PPolyproline II helixtrans-60.1129168.7-1932.6000109.8V357 S372 G373 A374V357-P370 HydrophobicContact CG1-CB 4.3Å; V357-P370 HydrophobicContact CG1-CG 3.74Å; P370-S372 PolarHBondContact O-N 2.98Å; P370-S372 VanDerWaalsContact O-N 3.11Å; P370-G373 PolarHBondContact O-N 3.48Å; P370-A374 WeakPolarHBondContact CB-O 3.24Å; P370-A374 WeakPolarHBondContact CG-O 3.33Å
371S54.1Low74.7Confident112 Ų11253 Ų5378%0.78330%0.296SS*.THydrogen-bonded Turntrans-60-24.2-176.748.50000113.7Q369 G373Q369-S371 PolarHBondContact O-N 3.4Å; S371-G373 PolarHBondContact O-N 2.97Å; S371-G373 VanDerWaalsContact O-N 3.16Å
372S49.3Very low74.6Confident60 Ų6053.4 Ų53.442%0.4230%0.299SS..THydrogen-bonded Turntrans-72.53.918054.50000115.6P370 A374P370-S372 PolarHBondContact O-N 2.98Å; P370-S372 VanDerWaalsContact O-N 3.11Å; S372-A374 PolarHBondContact O-N 3.2Å
373G51.1Low74.5Confident36 Ų3645.8 Ų45.837%0.37127%0.274SS..SBendtrans67-21.7-174.300000115.5P370 S371 G375 L376P370-G373 PolarHBondContact O-N 3.48Å; S371-G373 PolarHBondContact O-N 2.97Å; S371-G373 VanDerWaalsContact O-N 3.16Å; G373-G375 PolarHBondContact O-N 2.71Å; G373-L376 WeakPolarHBondContact O-CD1 3.43Å; G373-L376 VanDerWaalsContact O-CG 3.22Å; G373-L376 WeakPolarHBondContact O-CG 3.37Å; G373-L376 PolarHBondContact O-N 3.07Å
374A45.5Very low74.3Confident39 Ų3943.9 Ų43.932%0.32226%0.264SS..THydrogen-bonded Turntrans-63.4120.5168.800000110.5P370 S372P370-A374 WeakPolarHBondContact CB-O 3.24Å; P370-A374 WeakPolarHBondContact CG-O 3.33Å; S372-A374 PolarHBondContact O-N 3.2Å
375G53.1Low74Confident9 Ų943.6 Ų43.69%0.09326%0.261CS..THydrogen-bonded Turntrans89.820.6-178.900000115.7Q369 G373 Y377Q369-G375 PolarHBondContact OE1-O 2.72Å; G373-G375 PolarHBondContact O-N 2.71Å; G375-Y377 WeakPolarHBondContact O-CD2 3.42Å; G375-Y377 VanDerWaalsContact O-CE2 3.24Å; G375-Y377 WeakPolarHBondContact O-CE2 3.49Å; G375-Y377 PolarHBondContact O-N 2.72Å
376L62.4Low73.8Confident81 Ų8142 Ų4242%0.42426%0.257SS..  trans-55.2134.1169.4-77.8163.9000112.2Q369 G373Q369-L376 HydrophobicContact CB-CD2 4.42Å; Q369-L376 HydrophobicContact CG-CD2 4.24Å; G373-L376 WeakPolarHBondContact O-CD1 3.43Å; G373-L376 VanDerWaalsContact O-CG 3.22Å; G373-L376 WeakPolarHBondContact O-CG 3.37Å; G373-L376 PolarHBondContact O-N 3.07Å
377Y72.4Confident73.9Confident16 Ų1642.9 Ų42.96%0.06326%0.26CS..SBendtrans-118.5133.1160.4-57.8-97.5000106.5V300 A302 S353 Q369 G375 V379V300-Y377 HydrophobicContact CG1-CE2 4.09Å; V300-Y377 HydrophobicContact CG2-CE2 4.28Å; V300-Y377 PolarHBondContact O-OH 3.09Å; A302-Y377 HydrophobicContact CB-CE1 4.06Å; S353-Y377 PolarHBondContact O-OH 3.3Å; Q369-Y377 VanDerWaalsContact NE2-N 3.1Å; Q369-Y377 PolarHBondContact NE2-O 3.47Å; G375-Y377 WeakPolarHBondContact O-CD2 3.42Å; G375-Y377 VanDerWaalsContact O-CE2 3.24Å; G375-Y377 WeakPolarHBondContact O-CE2 3.49Å; G375-Y377 PolarHBondContact O-N 2.72Å; Y377-V379 HydrophobicContact CD1-CG1 3.91Å; Y377-V379 HydrophobicContact CE1-CG1 4.13Å
378P87.2Confident74.5Confident26 Ų2637.3 Ų37.317%0.16923%0.226CC..SBendcis-59.4145.42.226.9-38.5000114S393 R395 E590P378-S393 WeakPolarHBondContact CA-O 3.26Å; P378-S393 WeakPolarHBondContact CA-OG 3.41Å; P378-S393 WeakPolarHBondContact CB-OG 3.44Å; P378-R395 HydrophobicContact CB-CB 3.63Å; P378-R395 VanDerWaalsContact CB-N 3.35Å; P378-R395 HydrophobicContact CG-CB 3.49Å; P378-R395 VanDerWaalsContact CG-CB 3.49Å; P378-E590 HydrophobicContact CB-CG 4.43Å
379V89.6Confident75.6Confident4 Ų430.4 Ų30.42%0.02420%0.202CC..BIsolated β-bridgetrans-84.7154.3174.4-56.10000110.7Y377 L384 S393 I394Y377-V379 HydrophobicContact CD1-CG1 3.91Å; Y377-V379 HydrophobicContact CE1-CG1 4.13Å; V379-L384 HydrophobicContact CG2-CD2 3.83Å; V379-S393 PolarHBondContact N-O 2.72Å; V379-I394 HydrophobicContact CG2-CG2 4Å
380P88.7Confident76.8Confident15 Ų1529.2 Ų29.210%0.09720%0.198CC..PPolyproline II helixtrans-68.4139.8177.3-12.225.9000111.4C382 T383 H558 D561P380-C382 VanDerWaalsContact C-N 3.28Å; P380-C382 PolarHBondContact O-N 3.31Å; P380-T383 HydrophobicContact CB-CG2 3.98Å; P380-T383 HydrophobicContact CG-CG2 3.94Å; P380-T383 PolarHBondContact O-N 2.98Å; P380-T383 PolarHBondContact O-OG1 2.9Å; P380-H558 HydrophobicContact CB-CB 4.02Å; P380-H558 HydrophobicContact CG-CB 4.38Å; P380-H558 WeakPolarHBondContact CG-ND1 3.43Å; P380-D561 WeakPolarHBondContact CA-OD2 3.45Å; P380-D561 WeakPolarHBondContact CB-OD1 3.43Å
381L88.7Confident78.5Confident1 Ų128.6 Ų28.61%0.00519%0.194CC..G310 helixtrans-60.2-36.7-176.9-164.663.1000111.9T383 L384 I394 V396 V554 D561 Y566 A568 L630L381-T383 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD1-CD1 4.07Å; L381-L384 WeakPolarHBondContact O-CG 3.48Å; L381-L384 PolarHBondContact O-N 2.98Å; L381-I394 HydrophobicContact CD1-CD1 3.71Å; L381-V396 HydrophobicContact CD1-CG1 4.26Å; L381-V396 HydrophobicContact CD2-CG1 4.18Å; L381-V554 HydrophobicContact CD2-CG2 4.24Å; L381-D561 VanDerWaalsContact N-CG 3.27Å; L381-D561 PolarHBondContact N-OD1 2.97Å; L381-D561 PolarHBondContact N-OD2 3.29Å; L381-Y566 HydrophobicContact CB-CD1 4.01Å; L381-Y566 HydrophobicContact CD2-CD1 3.92Å; L381-Y566 HydrophobicContact CD2-CE1 4.38Å; L381-Y566 HydrophobicContact CG-CD1 3.71Å; L381-Y566 HydrophobicContact CG-CE1 3.91Å; L381-A568 HydrophobicContact CD1-CB 4.24Å; L381-A568 HydrophobicContact CD2-CB 4.04Å; L381-A568 HydrophobicContact CG-CB 4.25Å; L381-L630 HydrophobicContact CD1-CD1 3.85Å
382C86.6Confident80.3Confident26 Ų2624.1 Ų24.118%0.17616%0.162CC..G310 helixtrans-70.7-6.9176.772.60000114.6P380 D561 Y566P380-C382 VanDerWaalsContact C-N 3.28Å; P380-C382 PolarHBondContact O-N 3.31Å; C382-D561 WeakPolarHBondContact CB-OD1 3.43Å; C382-D561 PolarHBondContact N-OD1 3.19Å; C382-D561 PolarHBondContact SG-OD1 3.31Å; C382-Y566 HydrophobicContact CB-CD1 4.3Å; C382-Y566 HydrophobicContact CB-CD2 3.95Å; C382-Y566 HydrophobicContact CB-CG 3.84Å
383T87.7Confident82.4Confident35 Ų3521.4 Ų21.422%0.21514%0.143CC..G310 helixtrans-97.16.9178.269.40000114.2R355 P380 L381R355-T383 PolarHBondContact NH2-OG1 3.41Å; P380-T383 HydrophobicContact CB-CG2 3.98Å; P380-T383 HydrophobicContact CG-CG2 3.94Å; P380-T383 PolarHBondContact O-N 2.98Å; P380-T383 PolarHBondContact O-OG1 2.9Å; L381-T383 PolarHBondContact O-N 3.09Å
384L90.6Very high84.4Confident0 Ų019.7 Ų19.70%013%0.126CC..  trans-84.8146.2-179.7-59.4-174.1000112.4N352 V379 L381 C391 I394 V596 P617 L628 L630N352-L384 HydrophobicContact CB-CD2 4.19Å; N352-L384 WeakPolarHBondContact OD1-CA 3.24Å; V379-L384 HydrophobicContact CG2-CD2 3.83Å; L381-L384 HydrophobicContact CD1-CD1 4.07Å; L381-L384 WeakPolarHBondContact O-CG 3.48Å; L381-L384 PolarHBondContact O-N 2.98Å; L384-C391 HydrophobicContact CD2-CB 4.05Å; L384-I394 HydrophobicContact CD1-CG2 4.09Å; L384-V596 HydrophobicContact CB-CG1 4.36Å; L384-V596 HydrophobicContact CD1-CG2 4.29Å; L384-P617 WeakPolarHBondContact O-CB 3.49Å; L384-L628 HydrophobicContact CB-CD1 4.36Å; L384-L628 HydrophobicContact CB-CD2 4.13Å; L384-L628 WeakPolarHBondContact O-CD1 3.28Å; L384-L630 HydrophobicContact CD1-CD1 4.23Å; L384-L630 HydrophobicContact CD1-CD2 3.67Å
385S89.1Confident86.6Confident1 Ų121.3 Ų21.31%0.00712%0.123CC..  trans-128.1141.7-179.31780000110.6N352 D387 G388 V596 V620N352-S385 PolarHBondContact ND2-O 2.89Å; N352-S385 PolarHBondContact OD1-N 2.72Å; S385-D387 PolarHBondContact O-N 3.23Å; S385-D387 WeakPolarHBondContact OG-CB 3.48Å; S385-D387 PolarHBondContact OG-N 2.92Å; S385-G388 PolarHBondContact O-N 3.01Å; S385-V596 WeakPolarHBondContact O-CG1 3.16Å; S385-V620 VanDerWaalsContact OG-CG1 3.26Å; S385-V620 WeakPolarHBondContact OG-CG1 3.47Å; S385-V620 WeakPolarHBondContact OG-CG2 3.1Å
386S89.9Confident88.5Confident24 Ų2420.9 Ų20.917%0.16812%0.119CC..THydrogen-bonded Turntrans-56.2-28.716545.90000112.3
387D90.3Very high90Very high59 Ų5917 Ų1732%0.31610%0.099SC..THydrogen-bonded Turntrans-99.5-2.1-167.4-48.3-13.6000111.8P282 M283 S385P282-D387 HydrophobicContact CB-CB 4.3Å; P282-D387 WeakPolarHBondContact CD-O 3.44Å; M283-D387 HydrophobicContact CB-CB 4.38Å; M283-D387 WeakPolarHBondContact CB-O 3.39Å; M283-D387 PolarHBondContact N-O 2.84Å; M283-D387 VanDerWaalsContact N-O 3.11Å; S385-D387 PolarHBondContact O-N 3.23Å; S385-D387 WeakPolarHBondContact OG-CB 3.48Å; S385-D387 PolarHBondContact OG-N 2.92Å
388G91.7Very high91.1Very high0 Ų016.3 Ų16.30%010%0.096CC..SBendtrans-98.510.9-179.200000114.9D281 H350 G351 N352 S385D281-G388 VanDerWaalsContact OD2-CA 3.23Å; D281-G388 WeakPolarHBondContact OD2-CA 3.23Å; D281-G388 VanDerWaalsContact OD2-O 3.06Å; H350-G388 CarbonylContact C-O 3.58Å; G351-G388 PolarHBondContact N-O 3.32Å; G351-G388 VanDerWaalsContact N-O 3.09Å; N352-G388 VanDerWaalsContact CB-O 3.29Å; N352-G388 WeakPolarHBondContact CB-O 3.49Å; N352-G388 PolarHBondContact N-O 2.83Å; N352-G388 PolarHBondContact ND2-O 2.69Å; S385-G388 PolarHBondContact O-N 3.01Å
389G92.8Very high91.2Very high24 Ų2415.2 Ų15.225%0.2479%0.089CC..  trans61.7-139.8175.700000115N352N352-G389 PolarHBondContact ND2-O 2.69Å
390I93.6Very high91.3Very high32 Ų3216.1 Ų16.116%0.1649%0.092CC..EExtended strand (participates in β ladder)trans-74.2136.3-174.3-59.7178.3000110.7H350 S353 R593H350-I390 WeakPolarHBondContact CB-O 3.32Å; H350-I390 PolarHBondContact ND1-N 3.09Å; S353-I390 PolarHBondContact OG-O 2.85Å; I390-R593 HydrophobicContact CG2-CG 3.8Å
391C93.8Very high91.5Very high1 Ų118.8 Ų18.81%0.00710%0.1CC..EExtended strand (participates in β ladder)trans-94.6125.6168.5-175.90000111.1N352 S353 L384 R593 L594 V596N352-C391 HydrophobicContact CB-CB 4.06Å; S353-C391 WeakPolarHBondContact OG-CA 3.47Å; L384-C391 HydrophobicContact CD2-CB 4.05Å; C391-R593 VanDerWaalsContact O-CA 3.29Å; C391-R593 WeakPolarHBondContact O-CA 3.36Å; C391-R593 PolarHBondContact O-N 3.11Å; C391-L594 PolarHBondContact N-O 3.04Å; C391-L594 PolarHBondContact O-N 3.38Å; C391-V596 HydrophobicContact CB-CG2 3.94Å
392S92.3Very high91.5Very high17 Ų1719.5 Ų19.512%0.11910%0.103CC..EExtended strand (participates in β ladder)trans-76.1-39.2-174.2-76.60000114A302 S353 Y592 R593A302-S392 VanDerWaalsContact C-OG 3.27Å; A302-S392 PolarHBondContact O-OG 3.04Å; S353-S392 VanDerWaalsContact CB-OG 3.24Å; S353-S392 WeakPolarHBondContact CB-OG 3.49Å; S353-S392 WeakPolarHBondContact OG-CB 3.32Å; S353-S392 PolarHBondContact OG-N 3.42Å; S353-S392 PolarHBondContact OG-OG 2.77Å; S392-Y592 VanDerWaalsContact O-CA 3.24Å; S392-Y592 WeakPolarHBondContact O-CA 3.49Å; S392-R593 PolarHBondContact O-N 2.91Å; S392-R593 VanDerWaalsContact O-N 3.09Å
393S93Very high91.5Very high3 Ų319.9 Ų19.92%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-156.7133174.8172.30000111.1P378 V379 E590 F591P378-S393 WeakPolarHBondContact CA-O 3.26Å; P378-S393 WeakPolarHBondContact CA-OG 3.41Å; P378-S393 WeakPolarHBondContact CB-OG 3.44Å; V379-S393 PolarHBondContact N-O 2.72Å; S393-E590 WeakPolarHBondContact OG-CG 3.29Å; S393-E590 PolarHBondContact OG-OE1 2.89Å; S393-F591 VanDerWaalsContact CA-O 3.29Å; S393-F591 WeakPolarHBondContact CA-O 3.23Å
394I93.3Very high91.6Very high0 Ų019.5 Ų19.50%010%0.102CC..EExtended strand (participates in β ladder)trans-125.7151161.656.3170.2000109.8V379 L381 L384 V396 I570 E590 F591 L594 L630V379-I394 HydrophobicContact CG2-CG2 4Å; L381-I394 HydrophobicContact CD1-CD1 3.71Å; L384-I394 HydrophobicContact CD1-CG2 4.09Å; I394-V396 HydrophobicContact CB-CG1 4.49Å; I394-V396 HydrophobicContact CD1-CG1 4.01Å; I394-V396 HydrophobicContact CG1-CG1 4.4Å; I394-I570 HydrophobicContact CD1-CD1 4.4Å; I394-E590 CarbonylContact O-C 3.55Å; I394-E590 VanDerWaalsContact O-CA 3.3Å; I394-E590 WeakPolarHBondContact O-CA 3.49Å; I394-E590 WeakPolarHBondContact O-CG 3.44Å; I394-F591 HydrophobicContact CG1-CB 4.06Å; I394-F591 PolarHBondContact N-O 2.93Å; I394-F591 VanDerWaalsContact N-O 3.07Å; I394-F591 PolarHBondContact O-N 3.3Å; I394-L594 HydrophobicContact CD1-CD1 3.57Å; I394-L594 HydrophobicContact CG1-CD1 3.89Å; I394-L630 HydrophobicContact CD1-CD1 3.87Å
395R92.5Very high91.4Very high74 Ų7419.6 Ų19.628%0.27910%0.102SC..EExtended strand (participates in β ladder)trans-124.3125.6174.2-173.3-170.5-63.8177.70.1110P378 I557 V588 V589 E590 L641P378-R395 HydrophobicContact CB-CB 3.63Å; P378-R395 VanDerWaalsContact CB-N 3.35Å; P378-R395 HydrophobicContact CG-CB 3.49Å; P378-R395 VanDerWaalsContact CG-CB 3.49Å; R395-I557 HydrophobicContact CG-CD1 3.77Å; R395-I557 HydrophobicContact CG-CG1 4.21Å; R395-V588 HydrophobicContact CG-CG1 4.31Å; R395-V589 WeakPolarHBondContact CA-O 3.4Å; R395-E590 HydrophobicContact CB-CB 4.31Å; R395-E590 HydrophobicContact CB-CG 4.21Å; R395-E590 HydrophobicContact CG-CB 4.32Å; R395-E590 IonicContact CZ-OE2 2.98Å; R395-E590 IonicContact NE-OE2 3.22Å; R395-E590 PolarHBondContact NE-OE2 3.28Å; R395-E590 IonicContact NH2-OE2 2.99Å; R395-E590 PolarHBondContact NH2-OE2 3.28Å; R395-L641 HydrophobicContact CG-CD1 4.06Å
396V93.1Very high91.5Very high0 Ų022.1 Ų22.10%011%0.112CC..EExtended strand (participates in β ladder)trans-143.8162.1-165.6-61.60000109.9L381 I394 V554 S555 V588 V589 F591L381-V396 HydrophobicContact CD1-CG1 4.26Å; L381-V396 HydrophobicContact CD2-CG1 4.18Å; I394-V396 HydrophobicContact CB-CG1 4.49Å; I394-V396 HydrophobicContact CD1-CG1 4.01Å; I394-V396 HydrophobicContact CG1-CG1 4.4Å; V396-V554 HydrophobicContact CB-CB 3.91Å; V396-V554 HydrophobicContact CB-CG2 4.1Å; V396-V554 HydrophobicContact CG1-CB 4.38Å; V396-V554 HydrophobicContact CG1-CG2 4Å; V396-V554 HydrophobicContact CG2-CB 3.78Å; V396-V554 HydrophobicContact CG2-CG1 4.03Å; V396-V554 HydrophobicContact CG2-CG2 4.05Å; V396-S555 CarbonylContact C-O 3.23Å; V396-S555 VanDerWaalsContact CA-O 3.24Å; V396-S555 WeakPolarHBondContact CA-O 3.33Å; V396-S555 VanDerWaalsContact CB-O 3.31Å; V396-S555 WeakPolarHBondContact CB-O 3.3Å; V396-V588 WeakPolarHBondContact O-CA 3.36Å; V396-V589 PolarHBondContact N-O 3.46Å; V396-V589 PolarHBondContact O-N 2.9Å; V396-F591 HydrophobicContact CG2-CD2 3.83Å; V396-F591 HydrophobicContact CG2-CE2 3.71Å
397V93.9Very high91.4Very high0 Ų021.6 Ų21.60%011%0.107CC..EExtended strand (participates in β ladder)trans-100.8142.9161.664.80000109.2Q399 V554 S555 I557 E587 V588 I644 V659 Y660V397-Q399 PolarHBondContact O-N 2.98Å; V397-V554 WeakPolarHBondContact O-CA 3.26Å; V397-S555 PolarHBondContact N-O 3.23Å; V397-S555 PolarHBondContact O-N 3.21Å; V397-I557 HydrophobicContact CB-CG2 4.26Å; V397-I557 HydrophobicContact CG1-CG2 4.34Å; V397-E587 WeakPolarHBondContact CA-O 3.3Å; V397-V588 HydrophobicContact CB-CG2 4.37Å; V397-V588 HydrophobicContact CG2-CG2 4.33Å; V397-I644 HydrophobicContact CB-CD1 4.31Å; V397-I644 HydrophobicContact CG1-CD1 4.44Å; V397-I644 HydrophobicContact CG2-CB 4.3Å; V397-I644 HydrophobicContact CG2-CD1 4.1Å; V397-V659 HydrophobicContact CG1-CG1 3.75Å; V397-Y660 HydrophobicContact CG2-CD2 4.13Å; V397-Y660 HydrophobicContact CG2-CG 4.23Å
398I94.9Very high91.3Very high0 Ų019.3 Ų19.30%09%0.094CC..EExtended strand (participates in β ladder)trans-78.2107.5175.7-60.2176.7000108.7R401 L552 V554 L583 K584 E585 G586 E587 V589 Y660I398-R401 HydrophobicContact CG2-CB 4.43Å; I398-L552 HydrophobicContact CD1-CD1 4.19Å; I398-L552 HydrophobicContact CG1-CD1 4.46Å; I398-L552 HydrophobicContact CG2-CD2 4.15Å; I398-V554 HydrophobicContact CG1-CG1 4.44Å; I398-L583 HydrophobicContact CD1-CB 3.89Å; I398-L583 HydrophobicContact CD1-CD2 3.59Å; I398-L583 HydrophobicContact CD1-CG 4.38Å; I398-K584 WeakPolarHBondContact CB-O 3.23Å; I398-K584 WeakPolarHBondContact CD1-O 3.32Å; I398-E585 HydrophobicContact CG2-CG 4.4Å; I398-E585 WeakPolarHBondContact O-CA 3.3Å; I398-G586 PolarHBondContact O-N 3.36Å; I398-E587 PolarHBondContact N-O 2.99Å; I398-V589 HydrophobicContact CD1-CG2 3.97Å; I398-V589 HydrophobicContact CG1-CG2 4.36Å; I398-Y660 WeakPolarHBondContact O-CE2 3.37Å
399Q90.5Very high91.1Very high4 Ų420.3 Ų20.32%0.01910%0.101CC..EExtended strand (participates in β ladder)trans-82.6-40.7-17817652.837.700111.7V397 R553 H661V397-Q399 PolarHBondContact O-N 2.98Å; Q399-R553 WeakPolarHBondContact CA-O 3.42Å; Q399-R553 HydrophobicContact CB-CG 4.43Å; Q399-R553 WeakPolarHBondContact CB-O 3.37Å; Q399-R553 HydrophobicContact CG-CG 4.45Å; Q399-R553 PolarHBondContact N-O 2.96Å; Q399-H661 PolarHBondContact NE2-O 3.43Å
400R89.8Confident90.6Very high22 Ų2222.2 Ų22.28%0.08311%0.105CC..EExtended strand (participates in β ladder)trans-140.7141.1168.5-60.9-71.5174.1-11011.7110.5Y402 L552 R553 E585 H661 P662R400-Y402 HydrophobicContact CB-CE1 4.14Å; R400-Y402 HydrophobicContact CB-CE2 4.5Å; R400-L552 CarbonylContact O-C 3.58Å; R400-L552 WeakPolarHBondContact O-CA 3.37Å; R400-R553 HydrophobicContact CB-CB 3.92Å; R400-R553 HydrophobicContact CG-CB 4.46Å; R400-R553 PolarHBondContact N-O 2.99Å; R400-R553 PolarHBondContact O-N 3.27Å; R400-E585 VanDerWaalsContact CA-OE1 3.3Å; R400-E585 WeakPolarHBondContact CA-OE1 3.41Å; R400-H661 PolarHBondContact NH1-O 2.94Å; R400-P662 PolarHBondContact NH2-O 3.08Å
401R93Very high89.4Confident71 Ų7125 Ų2527%0.26812%0.117SC..EExtended strand (participates in β ladder)trans-113.2114.6167.6179.8-154.9174.3113.3-13.7107.2I398 L550 L552 L580 L583 E585 R663I398-R401 HydrophobicContact CG2-CB 4.43Å; R401-L550 HydrophobicContact CG-CD1 4.09Å; R401-L552 HydrophobicContact CB-CD2 3.94Å; R401-L552 HydrophobicContact CG-CD2 3.79Å; R401-L580 VanDerWaalsContact CZ-O 3.32Å; R401-L580 PolarHBondContact NH1-O 3.24Å; R401-L580 PolarHBondContact NH2-O 3.12Å; R401-L583 WeakPolarHBondContact CD-O 3.4Å; R401-L583 PolarHBondContact NH1-O 2.86Å; R401-E585 HydrophobicContact CB-CG 3.87Å; R401-E585 PolarHBondContact N-OE1 2.82Å; R401-R663 PolarHBondContact O-NH2 3.25Å
402Y89.4Confident87.8Confident17 Ų1728.3 Ų28.37%0.06714%0.137CC..PPolyproline II helixtrans-80.8165.3177.7-55.4-69.2000111.1R400 L550 R551 R553 E692 D785 A818R400-Y402 HydrophobicContact CB-CE1 4.14Å; R400-Y402 HydrophobicContact CB-CE2 4.5Å; Y402-L550 WeakPolarHBondContact O-CD1 3.36Å; Y402-R551 HydrophobicContact CD2-CB 3.77Å; Y402-R551 WeakPolarHBondContact CD2-O 3.32Å; Y402-R551 PolarHBondContact N-O 2.99Å; Y402-R551 VanDerWaalsContact N-O 3.08Å; Y402-R553 HydrophobicContact CE2-CB 4.17Å; Y402-R553 PolarHBondContact OH-NE 3.3Å; Y402-R553 VanDerWaalsContact OH-NE 3.14Å; Y402-E692 VanDerWaalsContact OH-CD 3.28Å; Y402-E692 PolarHBondContact OH-OE1 3.4Å; Y402-E692 PolarHBondContact OH-OE2 3.44Å; Y402-D785 HydrophobicContact CD1-CB 4.04Å; Y402-D785 HydrophobicContact CE1-CB 4.07Å; Y402-D785 WeakPolarHBondContact CE1-OD1 3.45Å; Y402-A818 HydrophobicContact CD1-CB 3.95Å; Y402-A818 HydrophobicContact CE1-CB 4.49Å; Y402-A818 HydrophobicContact CG-CB 4.21Å
403S87.2Confident86Confident33 Ų3332.5 Ų32.523%0.23116%0.164CC..PPolyproline II helixtrans-63.4153.9177.3-60.80000111.6Q405 N820S403-Q405 VanDerWaalsContact O-CG 3.25Å; S403-Q405 WeakPolarHBondContact O-CG 3.48Å; S403-N820 PolarHBondContact OG-ND2 3.09Å
404L89.5Confident83.9Confident28 Ų2839.1 Ų39.115%0.14719%0.194CC..PPolyproline II helixtrans-66140.1177.3-172.365.8000110.2Y406 L550 P575 L580L404-Y406 HydrophobicContact CD2-CE2 4.3Å; L404-Y406 WeakPolarHBondContact CD2-OH 3.41Å; L404-Y406 HydrophobicContact CG-CE2 4.28Å; L404-L550 HydrophobicContact CD1-CB 4.34Å; L404-P575 HydrophobicContact CD1-CG 4.14Å; L404-L580 HydrophobicContact CD1-CD2 4.34Å
405Q87.1Confident81.7Confident2 Ų247.7 Ų47.71%0.00923%0.234CC..EExtended strand (participates in β ladder)trans-129.3152.5-173.8-38-168.5-75.600111.4S403 R446 P548 L549 R551 F605 S817S403-Q405 VanDerWaalsContact O-CG 3.25Å; S403-Q405 WeakPolarHBondContact O-CG 3.48Å; Q405-R446 WeakPolarHBondContact CA-O 3.48Å; Q405-P548 CarbonylContact O-C 3.49Å; Q405-P548 VanDerWaalsContact O-CA 3.3Å; Q405-P548 WeakPolarHBondContact O-CA 3.33Å; Q405-L549 HydrophobicContact CB-CD1 3.99Å; Q405-L549 HydrophobicContact CB-CG 4.12Å; Q405-L549 HydrophobicContact CG-CD1 4.23Å; Q405-L549 PolarHBondContact N-O 2.95Å; Q405-L549 VanDerWaalsContact N-O 3.09Å; Q405-L549 PolarHBondContact O-N 3.26Å; Q405-L549 VanDerWaalsContact OE1-CD1 3.25Å; Q405-R551 VanDerWaalsContact OE1-NE 3.13Å; Q405-F605 VanDerWaalsContact NE2-CZ 3.27Å; Q405-S817 PolarHBondContact NE2-O 3.24Å
406Y89.7Confident79.2Confident54 Ų5449 Ų4921%0.21225%0.247CC..EExtended strand (participates in β ladder)trans-121.9121.8-179.6-62.9-94.5000109.3L404 F445 R446 E448 E451 I546 P548L404-Y406 HydrophobicContact CD2-CE2 4.3Å; L404-Y406 WeakPolarHBondContact CD2-OH 3.41Å; L404-Y406 HydrophobicContact CG-CE2 4.28Å; Y406-F445 WeakPolarHBondContact O-CA 3.39Å; Y406-R446 PolarHBondContact N-O 2.87Å; Y406-R446 PolarHBondContact O-N 2.83Å; Y406-E448 HydrophobicContact CE2-CB 4.4Å; Y406-E451 HydrophobicContact CD1-CG 3.91Å; Y406-E451 HydrophobicContact CD2-CB 3.71Å; Y406-E451 HydrophobicContact CD2-CG 3.97Å; Y406-E451 HydrophobicContact CE1-CG 4.49Å; Y406-E451 HydrophobicContact CE2-CB 4.36Å; Y406-E451 HydrophobicContact CG-CB 3.84Å; Y406-E451 HydrophobicContact CG-CG 3.61Å; Y406-I546 HydrophobicContact CD1-CG2 3.96Å; Y406-P548 HydrophobicContact CD1-CB 4.02Å; Y406-P548 HydrophobicContact CE1-CB 3.9Å
407M88.6Confident76.6Confident12 Ų1253.5 Ų53.56%0.05928%0.279CS..EExtended strand (participates in β ladder)trans-102.9114.7175.2-175.7-171.473.900109.5R443 I444 F445 I546 T547 L549 W573M407-R443 HydrophobicContact CG-CB 4.31Å; M407-R443 HydrophobicContact SD-CB 4.42Å; M407-R443 HydrophobicContact SD-CG 4.18Å; M407-I444 CarbonylContact C-O 3.58Å; M407-I444 WeakPolarHBondContact CA-O 3.2Å; M407-F445 HydrophobicContact CB-CD1 3.93Å; M407-F445 HydrophobicContact CB-CE1 3.79Å; M407-F445 HydrophobicContact CG-CD1 4.04Å; M407-F445 HydrophobicContact CG-CE1 3.61Å; M407-F445 HydrophobicContact CG-CZ 3.95Å; M407-F445 HydrophobicContact SD-CE1 3.83Å; M407-F445 HydrophobicContact SD-CZ 3.86Å; M407-I546 CarbonylContact O-C 3.53Å; M407-T547 PolarHBondContact N-O 3.37Å; M407-T547 PolarHBondContact O-N 2.77Å; M407-L549 HydrophobicContact CB-CD2 3.8Å; M407-W573 HydrophobicContact CE-CH2 4.35Å; M407-W573 HydrophobicContact CE-CZ3 3.78Å; M407-W573 HydrophobicContact SD-CH2 4.04Å; M407-W573 HydrophobicContact SD-CZ3 3.88Å
408E88.4Confident73.8Confident11 Ų1159.1 Ų59.15%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-94.9133.7171.7-176.9164.9-154.500110.5L410 R443 I444 R446 R544 Q545E408-L410 HydrophobicContact CG-CD2 3.97Å; E408-R443 WeakPolarHBondContact O-CA 3.47Å; E408-I444 PolarHBondContact N-O 2.83Å; E408-I444 PolarHBondContact O-N 3.44Å; E408-R446 IonicContact OE2-CZ 2.66Å; E408-R446 IonicContact OE2-NH1 3.67Å; E408-R446 PolarHBondContact OE2-NH1 3.06Å; E408-R446 IonicContact OE2-NH2 2.25Å; E408-R446 PolarHBondContact OE2-NH2 3.41Å; E408-R544 VanDerWaalsContact OE1-CB 3.31Å; E408-R544 WeakPolarHBondContact OE1-CB 3.49Å; E408-R544 VanDerWaalsContact OE1-CG 3.27Å; E408-R544 WeakPolarHBondContact OE1-CG 3.34Å; E408-R544 IonicContact OE1-CZ 3.09Å; E408-R544 IonicContact OE1-NE 3.54Å; E408-R544 PolarHBondContact OE1-NE 2.92Å; E408-R544 IonicContact OE1-NH2 3.43Å; E408-R544 IonicContact OE2-CZ 2.79Å; E408-R544 IonicContact OE2-NE 2.69Å; E408-R544 PolarHBondContact OE2-NE 3.04Å; E408-R544 IonicContact OE2-NH2 2.75Å; E408-R544 PolarHBondContact OE2-NH2 3.05Å; E408-Q545 WeakPolarHBondContact CA-O 3.26Å
409T86.5Confident70.9Confident21 Ų2165.3 Ų65.313%0.12935%0.351CS..EExtended strand (participates in β ladder)trans-104.1110.5176.3-56.60000109.3R441 Q545T409-R441 HydrophobicContact CG2-CB 3.97Å; T409-R441 HydrophobicContact CG2-CG 4.11Å; T409-Q545 PolarHBondContact N-O 2.8Å
410L82.1Confident68.3Low65 Ų6570.8 Ų70.834%0.3439%0.39SS..EExtended strand (participates in β ladder)trans-94.5132.8175.6-60.4-177.3000110.2E408 R441 R442 I444E408-L410 HydrophobicContact CG-CD2 3.97Å; L410-R441 CarbonylContact O-C 3.52Å; L410-R441 VanDerWaalsContact O-CA 3.28Å; L410-R441 WeakPolarHBondContact O-CA 3.21Å; L410-R442 HydrophobicContact CB-CB 4.49Å; L410-R442 PolarHBondContact N-O 2.96Å; L410-R442 PolarHBondContact O-N 3.49Å; L410-R442 VanDerWaalsContact O-N 3.09Å; L410-I444 HydrophobicContact CD1-CD1 3.58Å; L410-I444 HydrophobicContact CD1-CG1 4.34Å; L410-I444 HydrophobicContact CG-CD1 4.37Å
411E69.8Low65.8Low91 Ų9174.6 Ų74.643%0.42542%0.416SS..PPolyproline II helixtrans-91.6122.2170.9-49.4-153.9103.200108.3P413 R441E411-P413 WeakPolarHBondContact O-CD 3.45Å; E411-R441 HydrophobicContact CG-CG 4.4Å; E411-R441 IonicContact OE1-CZ 3.53Å; E411-R441 IonicContact OE1-NE 3.41Å; E411-R441 PolarHBondContact OE1-NE 2.93Å; E411-R441 IonicContact OE1-NH2 2.8Å; E411-R441 PolarHBondContact OE1-NH2 2.97Å
412V59.6Low63Low70 Ų7078.9 Ų78.942%0.42444%0.443SS..PPolyproline II helixtrans-91.8118.5179.9-179.40000108.1N440 R442V412-N440 WeakPolarHBondContact CG2-O 3.13Å; V412-R442 HydrophobicContact CG2-CB 4.43Å
413P54.9Low60.2Low104 Ų10486 Ų8668%0.67548%0.482SS*.PPolyproline II helixtrans-61.5137.1174.2-21.834000111E411 Q415E411-P413 WeakPolarHBondContact O-CD 3.45Å; P413-Q415 PolarHBondContact O-N 2.79Å
414E49.1Very low57.8Low142 Ų14292.3 Ų92.366%0.66451%0.511SS*.G310 helixtrans-73.20.1-168.6-58.7-171.5132.600115N416 S417 L439E414-N416 PolarHBondContact O-N 2.77Å; E414-S417 PolarHBondContact O-N 3.1Å; E414-L439 HydrophobicContact CG-CD2 4.07Å; E414-L439 WeakPolarHBondContact OE1-CD2 3.38Å
415Q46.7Very low54.9Low180 Ų18099.7 Ų99.784%0.84154%0.537SS*.G310 helixtrans-68.4-25.3-166.1-65.2-170.9-400115P413P413-Q415 PolarHBondContact O-N 2.79Å
416N38.8Very low52.2Low102 Ų102103.7 Ų103.755%0.54557%0.57SS.*G310 helixtrans-102.741.6178.8-69.231.6000112.2E414 T418 D731E414-N416 PolarHBondContact O-N 2.77Å; N416-T418 PolarHBondContact O-N 3.22Å; N416-D731 PolarHBondContact ND2-OD1 2.81Å
417S38.9Very low49.5Very low95 Ų95108.8 Ų108.866%0.66460%0.601SS**  trans-74.412.7-176.371.70000115.8E414E414-S417 PolarHBondContact O-N 3.1Å
418T34.4Very low47.1Very low117 Ų117113 Ų11372%0.71863%0.632SS**SBendtrans-84.4125.3172.840.20000111.8N416N416-T418 PolarHBondContact O-N 3.22Å
419T35.2Very low44.5Very low130 Ų130115.7 Ų115.780%0.79866%0.663SS**SBendtrans73.455.8158.5-36.50000117.5
420S35.4Very low42Very low119 Ų119120.5 Ų120.583%0.83270%0.697SS**SBendtrans-161-33.6151-89.70000116.5
421T38.4Very low39.9Very low103 Ų103122.9 Ų122.963%0.63271%0.71SS**SBendtrans-98.16.7-161.81.10000116.8
422L32.4Very low38.4Very low161 Ų161124.5 Ų124.584%0.84372%0.718SS**  trans-90.73-169.3-77.3172.2000116.5
423L31.2Very low37.3Very low167 Ų167128.8 Ų128.887%0.87474%0.737SS**SBendtrans-1007.8-170.2-66.4179.5000116.6
424I36.5Very low36.6Very low164 Ų164128.1 Ų128.184%0.84174%0.735SS**SBendtrans-134.849.7179-36.6180000113.2
425R29.6Very low36.3Very low183 Ų183122.5 Ų122.569%0.69171%0.712SS**  trans-158.180.3157.5-131.2171.9-179.4-159.4-7.8115.5
426A30.1Very low36Very low86 Ų86120.8 Ų120.871%0.71170%0.702SS**  trans-113.9154.4150.300000108.7
427N32.8Very low36Very low161 Ų161123 Ų12386%0.86171%0.713SS**SBendtrans64.173.8171.2-55-11.1000117.2
428S38Very low36.2Very low101 Ų101128.2 Ų128.271%0.70672%0.718SS**  trans-165.5137.3143.613.20000109.8
429G33.9Very low36.7Very low68 Ų68126.1 Ų126.170%0.70170%0.702SS**  trans-86.6159.7-166.200000116.3D431G429-D431 PolarHBondContact O-N 2.89Å
430S33.4Very low37.4Very low122 Ų122125 Ų12585%0.85369%0.691SS**SBendtrans44.563.6151.563.80000118.7
431D39.7Very low38.7Very low114 Ų114125.5 Ų125.561%0.6167%0.674SS**  trans-150.160.4152.2-156.64.9000110.7G429 S435G429-D431 PolarHBondContact O-N 2.89Å; D431-S435 PolarHBondContact O-OG 2.95Å
432E36.8Very low40.2Very low125 Ų125125.3 Ų125.358%0.58466%0.662SS**Hα-helixtrans-81.9-24.6-161.3-83.9-1489300116.1K436E432-K436 VanDerWaalsContact O-CD 3.29Å; E432-K436 WeakPolarHBondContact O-CD 3.31Å; E432-K436 VanDerWaalsContact O-CG 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.37Å; E432-K436 WeakPolarHBondContact OE1-CE 3.24Å; E432-K436 IonicContact OE1-NZ 2.66Å; E432-K436 PolarHBondContact OE1-NZ 3.15Å; E432-K436 IonicContact OE2-NZ 2.74Å
433L37.6Very low42.4Very low160 Ų160125 Ų12584%0.83865%0.65SS**Hα-helixtrans-82.1-47-171.5-146.372.6000111.7S435L433-S435 VanDerWaalsContact C-N 3.29Å; L433-S435 PolarHBondContact O-N 2.99Å
434S40.2Very low44.7Very low90 Ų90117.9 Ų117.963%0.62961%0.612SS**Hα-helixtrans-70.8-22.9-179.9-51.50000113.5
435S42.3Very low46.8Very low25 Ų25112.2 Ų112.218%0.17558%0.582CS.*Hα-helixtrans-90.7-19.2-17561.70000114.2D431 L433 L437 R438D431-S435 PolarHBondContact O-OG 2.95Å; L433-S435 VanDerWaalsContact C-N 3.29Å; L433-S435 PolarHBondContact O-N 2.99Å; S435-L437 VanDerWaalsContact C-N 3.33Å; S435-R438 PolarHBondContact O-N 2.79Å
436K40.4Very low49.3Very low144 Ų144103.8 Ų103.863%0.62655%0.55SS*.THydrogen-bonded Turntrans-73.2-20.1175.1-73.9170.5-172.3171.40113.8E432 R438E432-K436 VanDerWaalsContact O-CD 3.29Å; E432-K436 WeakPolarHBondContact O-CD 3.31Å; E432-K436 VanDerWaalsContact O-CG 3.3Å; E432-K436 WeakPolarHBondContact O-CG 3.37Å; E432-K436 WeakPolarHBondContact OE1-CE 3.24Å; E432-K436 IonicContact OE1-NZ 2.66Å; E432-K436 PolarHBondContact OE1-NZ 3.15Å; E432-K436 IonicContact OE2-NZ 2.74Å; K436-R438 VanDerWaalsContact C-N 3.31Å; K436-R438 PolarHBondContact O-N 2.95Å
437L39.7Very low51.6Low149 Ų149100.9 Ų100.978%0.7852%0.524SS*.THydrogen-bonded Turntrans-88.710.8175.3-138.680.6000114.2S435 L439S435-L437 VanDerWaalsContact C-N 3.33Å; L437-L439 PolarHBondContact O-N 2.66Å
438R43.1Very low54Low203 Ų20397.7 Ų97.777%0.76650%0.504SS*.  trans-79.866.2168.9-69.3-173.3-179.8166.92.9110.4S435 K436 N440S435-R438 PolarHBondContact O-N 2.79Å; K436-R438 VanDerWaalsContact C-N 3.31Å; K436-R438 PolarHBondContact O-N 2.95Å; R438-N440 PolarHBondContact O-N 2.87Å
439L44.3Very low56Low74 Ų7496 Ų9639%0.38748%0.483SS..  trans-40.7138.7157.3-77.2163.5000108.9E414 L437 R441E414-L439 HydrophobicContact CG-CD2 4.07Å; E414-L439 WeakPolarHBondContact OE1-CD2 3.38Å; L437-L439 PolarHBondContact O-N 2.66Å; L439-R441 PolarHBondContact O-N 3.44Å
440N50.5Low58.2Low105 Ų10592.8 Ų92.856%0.56145%0.449SS*.  trans-7758.9-165.7-158.915.9000112.5V412 R438 R442V412-N440 WeakPolarHBondContact CG2-O 3.13Å; R438-N440 PolarHBondContact O-N 2.87Å; N440-R442 PolarHBondContact O-N 3.19Å
441R61.2Low60.8Low130 Ų13087.4 Ų87.449%0.49141%0.41SS..  trans-65.699.1-171.9-79.3179.6169.6178.3-3.5111.2T409 L410 E411 L439T409-R441 HydrophobicContact CG2-CB 3.97Å; T409-R441 HydrophobicContact CG2-CG 4.11Å; L410-R441 CarbonylContact O-C 3.52Å; L410-R441 VanDerWaalsContact O-CA 3.28Å; L410-R441 WeakPolarHBondContact O-CA 3.21Å; E411-R441 HydrophobicContact CG-CG 4.4Å; E411-R441 IonicContact OE1-CZ 3.53Å; E411-R441 IonicContact OE1-NE 3.41Å; E411-R441 PolarHBondContact OE1-NE 2.93Å; E411-R441 IonicContact OE1-NH2 2.8Å; E411-R441 PolarHBondContact OE1-NH2 2.97Å; L439-R441 PolarHBondContact O-N 3.44Å
442R71.6Confident63Low100 Ų10086.1 Ų86.138%0.37740%0.401SS..EExtended strand (participates in β ladder)trans-69.9133.2176.1-167.9174.8-174.9163.11.1108.7L410 V412 N440 Y736L410-R442 HydrophobicContact CB-CB 4.49Å; L410-R442 PolarHBondContact N-O 2.96Å; L410-R442 PolarHBondContact O-N 3.49Å; L410-R442 VanDerWaalsContact O-N 3.09Å; V412-R442 HydrophobicContact CG2-CB 4.43Å; N440-R442 PolarHBondContact O-N 3.19Å; R442-Y736 PolarHBondContact NE-OH 2.71Å; R442-Y736 VanDerWaalsContact NE-OH 3.16Å; R442-Y736 PolarHBondContact NH2-OH 2.98Å
443R77.7Confident65.3Low154 Ų15480.3 Ų80.358%0.58137%0.374SS*.EExtended strand (participates in β ladder)trans-107.5126.5176.5-66.5174-179.8179.90.6109.1M407 E408 F445M407-R443 HydrophobicContact CG-CB 4.31Å; M407-R443 HydrophobicContact SD-CB 4.42Å; M407-R443 HydrophobicContact SD-CG 4.18Å; E408-R443 WeakPolarHBondContact O-CA 3.47Å; R443-F445 HydrophobicContact CB-CE2 4.34Å
444I79.5Confident67.6Low18 Ų1873.6 Ų73.69%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-107.6134.8172.4-61.1-179.4000107.5M407 E408 L410 R446 Q767M407-I444 CarbonylContact C-O 3.58Å; M407-I444 WeakPolarHBondContact CA-O 3.2Å; E408-I444 PolarHBondContact N-O 2.83Å; E408-I444 PolarHBondContact O-N 3.44Å; L410-I444 HydrophobicContact CD1-CD1 3.58Å; L410-I444 HydrophobicContact CD1-CG1 4.34Å; L410-I444 HydrophobicContact CG-CD1 4.37Å; I444-R446 HydrophobicContact CG2-CG 4.35Å; I444-Q767 HydrophobicContact CG2-CB 4.39Å
445F80.3Confident70Confident45 Ų4571.9 Ų71.920%0.19732%0.324CS..EExtended strand (participates in β ladder)trans-108.3134.4173-65.7-86.5000109.5Y406 M407 R443 L549Y406-F445 WeakPolarHBondContact O-CA 3.39Å; M407-F445 HydrophobicContact CB-CD1 3.93Å; M407-F445 HydrophobicContact CB-CE1 3.79Å; M407-F445 HydrophobicContact CG-CD1 4.04Å; M407-F445 HydrophobicContact CG-CE1 3.61Å; M407-F445 HydrophobicContact CG-CZ 3.95Å; M407-F445 HydrophobicContact SD-CE1 3.83Å; M407-F445 HydrophobicContact SD-CZ 3.86Å; R443-F445 HydrophobicContact CB-CE2 4.34Å; F445-L549 HydrophobicContact CD1-CD2 4.38Å; F445-L549 HydrophobicContact CE1-CD2 4.03Å
446R82.2Confident72.3Confident5 Ų577.7 Ų77.72%0.01934%0.342CS..EExtended strand (participates in β ladder)trans-124.7148.3174-64.7-166.3-163.378.85.2111.1Q405 Y406 E408 I444 A450 E451 E454 Q767Q405-R446 WeakPolarHBondContact CA-O 3.48Å; Y406-R446 PolarHBondContact N-O 2.87Å; Y406-R446 PolarHBondContact O-N 2.83Å; E408-R446 IonicContact OE2-CZ 2.66Å; E408-R446 IonicContact OE2-NH1 3.67Å; E408-R446 PolarHBondContact OE2-NH1 3.06Å; E408-R446 IonicContact OE2-NH2 2.25Å; E408-R446 PolarHBondContact OE2-NH2 3.41Å; I444-R446 HydrophobicContact CG2-CG 4.35Å; R446-A450 HydrophobicContact CB-CB 3.97Å; R446-A450 HydrophobicContact CG-CB 4.25Å; R446-E451 HydrophobicContact CB-CB 4.18Å; R446-E451 WeakPolarHBondContact CD-OE2 3.25Å; R446-E451 IonicContact CZ-OE2 2.72Å; R446-E451 IonicContact NE-OE2 3.91Å; R446-E451 IonicContact NH1-OE2 3.89Å; R446-E451 PolarHBondContact NH1-OE2 3.24Å; R446-E454 IonicContact CZ-OE2 3.19Å; R446-E454 IonicContact NE-OE2 3.16Å; R446-E454 IonicContact NH2-OE2 2.77Å; R446-E454 PolarHBondContact NH2-OE2 2.78Å; R446-Q767 HydrophobicContact CG-CB 4.48Å; R446-Q767 VanDerWaalsContact CZ-OE1 3.3Å
447S79.3Confident74.6Confident25 Ų2575 Ų7518%0.17533%0.334CS..EExtended strand (participates in β ladder)trans-72.8163.6159.559.10000110.1R449 A450 E451S447-R449 PolarHBondContact O-N 3.16Å; S447-A450 PolarHBondContact O-N 2.84Å; S447-A450 VanDerWaalsContact O-N 3.08Å; S447-E451 PolarHBondContact O-N 2.9Å
448E82.3Confident77Confident95 Ų9569.7 Ų69.744%0.44430%0.304SS..Hα-helixtrans-46.3-54.3174.7-168.9165.6-129.400112.9Y406 A450 E451 E452Y406-E448 HydrophobicContact CE2-CB 4.4Å; E448-A450 VanDerWaalsContact C-N 3.32Å; E448-A450 PolarHBondContact O-N 3Å; E448-E451 PolarHBondContact O-N 2.95Å; E448-E452 PolarHBondContact O-N 3.41Å
449R79.5Confident79.3Confident66 Ų6664.2 Ų64.225%0.24929%0.287CS..Hα-helixtrans-56.7-40.4176.9-170.8-173.5-55.8139.26113.6S447 A453 V821S447-R449 PolarHBondContact O-N 3.16Å; R449-A453 PolarHBondContact O-N 2.78Å; R449-V821 PolarHBondContact NH2-O 3.41Å
450A81.2Confident81.6Confident0 Ų062.6 Ų62.60%028%0.284CS..Hα-helixtrans-75.2-32.9-179.200000112.2R446 S447 E448 A453 E454 Q767R446-A450 HydrophobicContact CB-CB 3.97Å; R446-A450 HydrophobicContact CG-CB 4.25Å; S447-A450 PolarHBondContact O-N 2.84Å; S447-A450 VanDerWaalsContact O-N 3.08Å; E448-A450 VanDerWaalsContact C-N 3.32Å; E448-A450 PolarHBondContact O-N 3Å; A450-A453 PolarHBondContact O-N 2.93Å; A450-E454 PolarHBondContact O-N 2.99Å; A450-Q767 WeakPolarHBondContact CB-O 3.47Å
451E87.3Confident83.5Confident8 Ų862.4 Ų62.44%0.03728%0.276CS..Hα-helixtrans-72-40173.1-172.957.7-139.900111.5Y406 R446 S447 E448 A453 E454 V455 R544 I546Y406-E451 HydrophobicContact CD1-CG 3.91Å; Y406-E451 HydrophobicContact CD2-CB 3.71Å; Y406-E451 HydrophobicContact CD2-CG 3.97Å; Y406-E451 HydrophobicContact CE1-CG 4.49Å; Y406-E451 HydrophobicContact CE2-CB 4.36Å; Y406-E451 HydrophobicContact CG-CB 3.84Å; Y406-E451 HydrophobicContact CG-CG 3.61Å; R446-E451 HydrophobicContact CB-CB 4.18Å; R446-E451 WeakPolarHBondContact CD-OE2 3.25Å; R446-E451 IonicContact CZ-OE2 2.72Å; R446-E451 IonicContact NE-OE2 3.91Å; R446-E451 IonicContact NH1-OE2 3.89Å; R446-E451 PolarHBondContact NH1-OE2 3.24Å; S447-E451 PolarHBondContact O-N 2.9Å; E448-E451 PolarHBondContact O-N 2.95Å; E451-A453 PolarHBondContact O-N 2.86Å; E451-E454 PolarHBondContact O-N 3.38Å; E451-V455 HydrophobicContact CG-CG2 4.46Å; E451-V455 WeakPolarHBondContact O-CB 3.32Å; E451-V455 VanDerWaalsContact O-CG2 3.3Å; E451-V455 WeakPolarHBondContact O-CG2 3.4Å; E451-V455 PolarHBondContact O-N 2.95Å; E451-R544 VanDerWaalsContact CD-NH2 3.34Å; E451-R544 IonicContact OE1-CZ 2.72Å; E451-R544 IonicContact OE1-NH1 2.77Å; E451-R544 PolarHBondContact OE1-NH1 2.94Å; E451-R544 IonicContact OE1-NH2 3.25Å; E451-R544 PolarHBondContact OE1-NH2 3.03Å; E451-R544 IonicContact OE2-NH2 2.91Å; E451-R544 PolarHBondContact OE2-NH2 3.3Å; E451-R544 VanDerWaalsContact OE2-NH2 3.09Å; E451-I546 WeakPolarHBondContact OE1-CD1 3.44Å
452E87Confident85Confident88 Ų8860 Ų6041%0.41127%0.267SS..Hα-helixtrans-56-41.1170.9-67.7179.5-153.900112.1E448 V455 R456E448-E452 PolarHBondContact O-N 3.41Å; E452-V455 PolarHBondContact O-N 3.28Å; E452-R456 VanDerWaalsContact CB-NH1 3.3Å; E452-R456 VanDerWaalsContact O-CG 3.29Å; E452-R456 WeakPolarHBondContact O-CG 3.46Å; E452-R456 PolarHBondContact O-N 2.92Å; E452-R456 IonicContact OE2-CZ 3.65Å; E452-R456 VanDerWaalsContact OE2-CZ 3.25Å; E452-R456 IonicContact OE2-NH1 2.72Å; E452-R456 PolarHBondContact OE2-NH1 3.16Å; E452-R456 IonicContact OE2-NH2 2.7Å; E452-R456 PolarHBondContact OE2-NH2 2.89Å
453A83.8Confident86Confident3 Ų359.8 Ų59.83%0.02527%0.273CS..Hα-helixtrans-66.1-45.8177.400000111.9R449 A450 E451 V455 R456 L457 L769R449-A453 PolarHBondContact O-N 2.78Å; A450-A453 PolarHBondContact O-N 2.93Å; E451-A453 PolarHBondContact O-N 2.86Å; A453-V455 VanDerWaalsContact C-N 3.32Å; A453-V455 PolarHBondContact O-N 2.75Å; A453-R456 PolarHBondContact O-N 2.77Å; A453-L457 WeakPolarHBondContact O-CG 3.18Å; A453-L457 PolarHBondContact O-N 2.98Å; A453-L769 HydrophobicContact CB-CB 4.45Å; A453-L769 HydrophobicContact CB-CD1 4.39Å
454E86.9Confident86.7Confident18 Ų1860.5 Ų60.58%0.08428%0.275CS..Hα-helixtrans-66-33.2176.5-167.172.9-11900112.2R446 A450 E451 L457 Y458 R461 Q767R446-E454 IonicContact CZ-OE2 3.19Å; R446-E454 IonicContact NE-OE2 3.16Å; R446-E454 IonicContact NH2-OE2 2.77Å; R446-E454 PolarHBondContact NH2-OE2 2.78Å; A450-E454 PolarHBondContact O-N 2.99Å; E451-E454 PolarHBondContact O-N 3.38Å; E454-L457 PolarHBondContact O-N 2.91Å; E454-Y458 WeakPolarHBondContact O-CB 3.49Å; E454-Y458 PolarHBondContact O-N 3.27Å; E454-R461 IonicContact OE1-CZ 3.47Å; E454-R461 IonicContact OE1-NH1 3.31Å; E454-R461 PolarHBondContact OE1-NH1 3.33Å; E454-R461 IonicContact OE1-NH2 2.69Å; E454-R461 PolarHBondContact OE1-NH2 3.06Å; E454-Q767 PolarHBondContact OE2-NE2 3.18Å
455V90.7Very high87.2Confident54 Ų5460.3 Ų60.333%0.32728%0.275SS..Hα-helixtrans-61.3-52170.4168.20000110.6E451 E452 A453 L457 Y458 E459E451-V455 HydrophobicContact CG-CG2 4.46Å; E451-V455 WeakPolarHBondContact O-CB 3.32Å; E451-V455 VanDerWaalsContact O-CG2 3.3Å; E451-V455 WeakPolarHBondContact O-CG2 3.4Å; E451-V455 PolarHBondContact O-N 2.95Å; E452-V455 PolarHBondContact O-N 3.28Å; A453-V455 VanDerWaalsContact C-N 3.32Å; A453-V455 PolarHBondContact O-N 2.75Å; V455-L457 VanDerWaalsContact C-N 3.29Å; V455-L457 PolarHBondContact O-N 3.33Å; V455-Y458 WeakPolarHBondContact O-CB 3.25Å; V455-Y458 PolarHBondContact O-N 3.01Å; V455-E459 HydrophobicContact CG1-CG 4.44Å; V455-E459 WeakPolarHBondContact O-CG 3.23Å; V455-E459 PolarHBondContact O-N 3.08Å
456R90.3Very high87.7Confident147 Ų14759.9 Ų59.956%0.55527%0.274SS*.Hα-helixtrans-56.8-41.9176.7-69.4165.5-173.8123.78.9111.9E452 A453 A460E452-R456 VanDerWaalsContact CB-NH1 3.3Å; E452-R456 VanDerWaalsContact O-CG 3.29Å; E452-R456 WeakPolarHBondContact O-CG 3.46Å; E452-R456 PolarHBondContact O-N 2.92Å; E452-R456 IonicContact OE2-CZ 3.65Å; E452-R456 VanDerWaalsContact OE2-CZ 3.25Å; E452-R456 IonicContact OE2-NH1 2.72Å; E452-R456 PolarHBondContact OE2-NH1 3.16Å; E452-R456 IonicContact OE2-NH2 2.7Å; E452-R456 PolarHBondContact OE2-NH2 2.89Å; A453-R456 PolarHBondContact O-N 2.77Å; R456-A460 VanDerWaalsContact O-CB 3.32Å; R456-A460 WeakPolarHBondContact O-CB 3.35Å; R456-A460 PolarHBondContact O-N 3.46Å
457L89Confident88.2Confident87 Ų8763.7 Ų63.746%0.45530%0.295SS..Hα-helixtrans-68.5-35.9175.4-68.4173000112.7A453 E454 V455 R461A453-L457 WeakPolarHBondContact O-CG 3.18Å; A453-L457 PolarHBondContact O-N 2.98Å; E454-L457 PolarHBondContact O-N 2.91Å; V455-L457 VanDerWaalsContact C-N 3.29Å; V455-L457 PolarHBondContact O-N 3.33Å; L457-R461 VanDerWaalsContact C-NH2 3.32Å; L457-R461 WeakPolarHBondContact O-CB 3.49Å; L457-R461 WeakPolarHBondContact O-CG 3.38Å; L457-R461 PolarHBondContact O-N 3.3Å; L457-R461 PolarHBondContact O-NE 3.05Å
458Y89.8Confident88.6Confident39 Ų3969.2 Ų69.215%0.15331%0.312CS..Hα-helixtrans-67.1-44.6175.9179-103.3000111.3E454 V455 R461 R462 V541 P542 R544E454-Y458 WeakPolarHBondContact O-CB 3.49Å; E454-Y458 PolarHBondContact O-N 3.27Å; V455-Y458 WeakPolarHBondContact O-CB 3.25Å; V455-Y458 PolarHBondContact O-N 3.01Å; Y458-R461 VanDerWaalsContact N-NH2 3.11Å; Y458-R461 PolarHBondContact O-N 3.16Å; Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 3.28Å; Y458-V541 HydrophobicContact CD2-CG1 3.73Å; Y458-V541 HydrophobicContact CE2-CG1 3.27Å; Y458-V541 PolarHBondContact OH-O 3.43Å; Y458-P542 WeakPolarHBondContact CE2-O 3.43Å; Y458-P542 PolarHBondContact OH-O 3.28Å; Y458-R544 HydrophobicContact CD2-CG 3.79Å; Y458-R544 HydrophobicContact CE2-CG 3.69Å; Y458-R544 HydrophobicContact CG-CG 4.41Å
459E91.3Very high88.9Confident88 Ų8864.7 Ų64.741%0.41129%0.291SS..Hα-helixtrans-65.7-42.3175.8-65.4-169.1132.500112V455 R461 R462 L463V455-E459 HydrophobicContact CG1-CG 4.44Å; V455-E459 WeakPolarHBondContact O-CG 3.23Å; V455-E459 PolarHBondContact O-N 3.08Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.31Å; E459-R462 PolarHBondContact O-N 3.16Å; E459-R462 VanDerWaalsContact O-N 3.16Å; E459-R462 IonicContact OE1-NH1 3.94Å; E459-L463 WeakPolarHBondContact O-CB 3.28Å; E459-L463 WeakPolarHBondContact O-CG 3.16Å; E459-L463 PolarHBondContact O-N 3.02Å
460A92.4Very high89.3Confident39 Ų3964.8 Ų64.832%0.32230%0.296SS..Hα-helixtrans-61.9-35.5173.500000113R456 R464R456-A460 VanDerWaalsContact O-CB 3.32Å; R456-A460 WeakPolarHBondContact O-CB 3.35Å; R456-A460 PolarHBondContact O-N 3.46Å; A460-R464 WeakPolarHBondContact O-CD 3.47Å; A460-R464 VanDerWaalsContact O-CG 3.26Å; A460-R464 WeakPolarHBondContact O-CG 3.43Å; A460-R464 PolarHBondContact O-N 2.82Å
461R91Very high89.5Confident102 Ų10270.3 Ų70.339%0.38533%0.326SS..Hα-helixtrans-68-44.9171.2-77.1170.7-69.7-159.60.8111.4E454 L457 Y458 E459 R464 V465 V541E454-R461 IonicContact OE1-CZ 3.47Å; E454-R461 IonicContact OE1-NH1 3.31Å; E454-R461 PolarHBondContact OE1-NH1 3.33Å; E454-R461 IonicContact OE1-NH2 2.69Å; E454-R461 PolarHBondContact OE1-NH2 3.06Å; L457-R461 VanDerWaalsContact C-NH2 3.32Å; L457-R461 WeakPolarHBondContact O-CB 3.49Å; L457-R461 WeakPolarHBondContact O-CG 3.38Å; L457-R461 PolarHBondContact O-N 3.3Å; L457-R461 PolarHBondContact O-NE 3.05Å; Y458-R461 VanDerWaalsContact N-NH2 3.11Å; Y458-R461 PolarHBondContact O-N 3.16Å; E459-R461 VanDerWaalsContact C-N 3.31Å; E459-R461 PolarHBondContact O-N 3.31Å; R461-R464 PolarHBondContact O-N 2.94Å; R461-V465 PolarHBondContact O-N 3.14Å; R461-V541 HydrophobicContact CB-CG1 4.4Å; R461-V541 HydrophobicContact CB-CG2 4.07Å
462R91Very high89.3Confident80 Ų8077.7 Ų77.730%0.30235%0.353SS..Hα-helixtrans-62.6-43.8-179.5-159.2179.381.6-126.13.5111.9Y458 E459 V465 I466 I537 V541Y458-R462 WeakPolarHBondContact O-CB 3.29Å; Y458-R462 PolarHBondContact O-N 3.28Å; E459-R462 PolarHBondContact O-N 3.16Å; E459-R462 VanDerWaalsContact O-N 3.16Å; E459-R462 IonicContact OE1-NH1 3.94Å; R462-V465 PolarHBondContact O-N 2.98Å; R462-I466 HydrophobicContact CG-CD1 4.3Å; R462-I466 WeakPolarHBondContact O-CG1 3.21Å; R462-I466 PolarHBondContact O-N 3.19Å; R462-I537 HydrophobicContact CG-CD1 4.22Å; R462-I537 HydrophobicContact CG-CG1 4.14Å; R462-I537 HydrophobicContact CG-CG2 4.18Å; R462-V541 HydrophobicContact CB-CG1 4.12Å; R462-V541 HydrophobicContact CG-CG1 4.44Å
463L92.6Very high89Confident95 Ų9574.2 Ų74.250%0.49734%0.337SS..Hα-helixtrans-60.3-50.4176.3-72.2169.9000111.6E459 V465 I466 D467E459-L463 WeakPolarHBondContact O-CB 3.28Å; E459-L463 WeakPolarHBondContact O-CG 3.16Å; E459-L463 PolarHBondContact O-N 3.02Å; L463-V465 PolarHBondContact O-N 2.83Å; L463-V465 VanDerWaalsContact O-N 3.09Å; L463-I466 WeakPolarHBondContact O-CA 3.23Å; L463-I466 WeakPolarHBondContact O-CB 3.35Å; L463-I466 PolarHBondContact O-N 3.19Å; L463-D467 VanDerWaalsContact O-CG 3.24Å; L463-D467 PolarHBondContact O-N 3.46Å
464R92.5Very high88.6Confident168 Ų16878.1 Ų78.163%0.63436%0.361SS*.Hα-helixtrans-57.1-29177-69.5169.9-170.8-178.73.6113.8A460 R461 R468A460-R464 WeakPolarHBondContact O-CD 3.47Å; A460-R464 VanDerWaalsContact O-CG 3.26Å; A460-R464 WeakPolarHBondContact O-CG 3.43Å; A460-R464 PolarHBondContact O-N 2.82Å; R461-R464 PolarHBondContact O-N 2.94Å; R464-R468 WeakPolarHBondContact O-CB 3.11Å; R464-R468 WeakPolarHBondContact O-CD 3.44Å; R464-R468 WeakPolarHBondContact O-CG 3.33Å; R464-R468 PolarHBondContact O-N 3.06Å
465V91.7Very high87.5Confident15 Ų1581.7 Ų81.79%0.09138%0.38CS..Hα-helixtrans-80.4-37.2175.9167.90000111.7R461 R462 L463 R468 A469 A536 I537 N540 V541R461-V465 PolarHBondContact O-N 3.14Å; R462-V465 PolarHBondContact O-N 2.98Å; L463-V465 PolarHBondContact O-N 2.83Å; L463-V465 VanDerWaalsContact O-N 3.09Å; V465-R468 PolarHBondContact O-N 3.08Å; V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.29Å; V465-A536 HydrophobicContact CG1-CB 3.98Å; V465-A536 WeakPolarHBondContact CG1-O 3.2Å; V465-I537 HydrophobicContact CG1-CG1 4.4Å; V465-N540 HydrophobicContact CG1-CB 4.03Å; V465-N540 HydrophobicContact CG2-CB 3.74Å; V465-V541 HydrophobicContact CB-CG2 4.37Å; V465-V541 HydrophobicContact CG2-CG2 3.8Å
466I90.8Very high85.8Confident36 Ų3684.4 Ų84.419%0.18539%0.392CS..Hα-helixtrans-60.9-47.3170.6-66.5160.4000110.1R462 L463 R468 A469 L470 I533 I537R462-I466 HydrophobicContact CG-CD1 4.3Å; R462-I466 WeakPolarHBondContact O-CG1 3.21Å; R462-I466 PolarHBondContact O-N 3.19Å; L463-I466 WeakPolarHBondContact O-CA 3.23Å; L463-I466 WeakPolarHBondContact O-CB 3.35Å; L463-I466 PolarHBondContact O-N 3.19Å; I466-R468 PolarHBondContact O-N 2.72Å; I466-A469 PolarHBondContact O-N 3.15Å; I466-A469 VanDerWaalsContact O-N 3.13Å; I466-L470 HydrophobicContact CG2-CD1 3.97Å; I466-L470 HydrophobicContact CG2-CG 4.43Å; I466-L470 WeakPolarHBondContact O-CG 3.33Å; I466-L470 PolarHBondContact O-N 3.24Å; I466-I533 HydrophobicContact CG1-CG2 4Å; I466-I533 HydrophobicContact CG2-CG2 4.4Å; I466-I537 HydrophobicContact CD1-CD1 4.08Å; I466-I537 HydrophobicContact CG1-CD1 3.8Å; I466-I537 HydrophobicContact CG1-CG1 4.16Å
467D90.8Very high84.4Confident85 Ų8579.7 Ų79.746%0.45538%0.378SS..Hα-helixtrans-58.6-50.5178.4-59.5-33.8000110.6L463 A469 L470 D471L463-D467 VanDerWaalsContact O-CG 3.24Å; L463-D467 PolarHBondContact O-N 3.46Å; D467-A469 VanDerWaalsContact C-N 3.28Å; D467-A469 PolarHBondContact O-N 3.33Å; D467-L470 WeakPolarHBondContact O-CB 3.47Å; D467-L470 PolarHBondContact O-N 2.64Å; D467-L470 VanDerWaalsContact O-N 3.11Å; D467-D471 PolarHBondContact O-N 2.87Å
468R89.1Confident83Confident140 Ų14081.1 Ų81.153%0.52840%0.395SS..Hα-helixtrans-60.3-31.9175-75.1169.4170.2-159.3-9.6114R464 V465 I466 R472R464-R468 WeakPolarHBondContact O-CB 3.11Å; R464-R468 WeakPolarHBondContact O-CD 3.44Å; R464-R468 WeakPolarHBondContact O-CG 3.33Å; R464-R468 PolarHBondContact O-N 3.06Å; V465-R468 PolarHBondContact O-N 3.08Å; I466-R468 PolarHBondContact O-N 2.72Å; R468-R472 WeakPolarHBondContact O-CG 3.45Å; R468-R472 PolarHBondContact O-N 3.23Å
469A88.8Confident81.7Confident1 Ų184.1 Ų84.11%0.00842%0.422CS..Hα-helixtrans-74.6-36176.100000111.6V465 I466 D467 R472 L473 I533 A536V465-A469 VanDerWaalsContact O-CB 3.31Å; V465-A469 WeakPolarHBondContact O-CB 3.33Å; V465-A469 PolarHBondContact O-N 3.29Å; I466-A469 PolarHBondContact O-N 3.15Å; I466-A469 VanDerWaalsContact O-N 3.13Å; D467-A469 VanDerWaalsContact C-N 3.28Å; D467-A469 PolarHBondContact O-N 3.33Å; A469-R472 PolarHBondContact O-N 2.9Å; A469-L473 WeakPolarHBondContact O-CG 3.32Å; A469-L473 PolarHBondContact O-N 3.23Å; A469-I533 HydrophobicContact CB-CG1 4.27Å; A469-A536 HydrophobicContact CB-CB 3.91Å
470L87.3Confident80.4Confident67 Ų6786.2 Ų86.235%0.35143%0.43SS..Hα-helixtrans-67.4-42.7172.2-68.6169.4000111.5I466 D467 R472 L473 V474 I533I466-L470 HydrophobicContact CG2-CD1 3.97Å; I466-L470 HydrophobicContact CG2-CG 4.43Å; I466-L470 WeakPolarHBondContact O-CG 3.33Å; I466-L470 PolarHBondContact O-N 3.24Å; D467-L470 WeakPolarHBondContact O-CB 3.47Å; D467-L470 PolarHBondContact O-N 2.64Å; D467-L470 VanDerWaalsContact O-N 3.11Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 3.37Å; L470-L473 HydrophobicContact CD2-CD1 4.38Å; L470-L473 WeakPolarHBondContact O-CB 3.48Å; L470-L473 PolarHBondContact O-N 2.91Å; L470-V474 PolarHBondContact O-N 2.8Å; L470-I533 HydrophobicContact CD2-CD1 3.91Å; L470-I533 HydrophobicContact CG-CD1 4.46Å
471D86.1Confident79.1Confident116 Ų11695.5 Ų95.562%0.6246%0.456SS*.Hα-helixtrans-57.3-41175.3-68.3-29000111.7D467 L473 V474D467-D471 PolarHBondContact O-N 2.87Å; D471-L473 VanDerWaalsContact C-N 3.25Å; D471-L473 PolarHBondContact O-N 3.41Å; D471-V474 PolarHBondContact O-N 2.85Å; D471-V474 VanDerWaalsContact O-N 3.16Å
472R81.7Confident78.4Confident163 Ų16397 Ų9762%0.61546%0.462SS*.Hα-helixtrans-63.5-26.2175.6-75.1173.5-178.2-1791.3113.8R468 A469 L470 I475R468-R472 WeakPolarHBondContact O-CG 3.45Å; R468-R472 PolarHBondContact O-N 3.23Å; A469-R472 PolarHBondContact O-N 2.9Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 3.37Å; R472-I475 VanDerWaalsContact O-CG1 3.24Å; R472-I475 WeakPolarHBondContact O-CG1 3.36Å
473L81.9Confident77.9Confident15 Ų1599 Ų998%0.07948%0.477CS..Hα-helixtrans-78.5-25.1176.6-67.2165.6000111.7A469 L470 D471 I475 L501 L505 Y528 K529 I532A469-L473 WeakPolarHBondContact O-CG 3.32Å; A469-L473 PolarHBondContact O-N 3.23Å; L470-L473 HydrophobicContact CD2-CD1 4.38Å; L470-L473 WeakPolarHBondContact O-CB 3.48Å; L470-L473 PolarHBondContact O-N 2.91Å; D471-L473 VanDerWaalsContact C-N 3.25Å; D471-L473 PolarHBondContact O-N 3.41Å; L473-I475 VanDerWaalsContact C-N 3.35Å; L473-I475 PolarHBondContact O-N 3.09Å; L473-L501 HydrophobicContact CD2-CD2 3.96Å; L473-L505 WeakPolarHBondContact O-CD1 3.48Å; L473-Y528 HydrophobicContact CD2-CD1 4.26Å; L473-Y528 HydrophobicContact CD2-CE1 3.58Å; L473-K529 HydrophobicContact CD1-CB 4.44Å; L473-K529 HydrophobicContact CD1-CG 4.18Å; L473-I532 HydrophobicContact CD1-CG2 4.47Å; L473-I532 HydrophobicContact CD2-CB 4.4Å; L473-I532 HydrophobicContact CD2-CG1 4.29Å; L473-I532 HydrophobicContact CD2-CG2 4.19Å; L473-I532 HydrophobicContact CG-CG2 4.3Å
474V74.9Confident77.5Confident85 Ų8596.7 Ų96.752%0.51546%0.464SS..  trans-92.663.2-179.5-169.60000110.6L470 D471 N476L470-V474 PolarHBondContact O-N 2.8Å; D471-V474 PolarHBondContact O-N 2.85Å; D471-V474 VanDerWaalsContact O-N 3.16Å; V474-N476 PolarHBondContact O-N 2.84Å
475I63Low77.2Confident94 Ų9489.4 Ų89.448%0.48244%0.439SS..  trans-73.788.4177.5-51.8-174.9000110.1R472 L473 D477R472-I475 VanDerWaalsContact O-CG1 3.24Å; R472-I475 WeakPolarHBondContact O-CG1 3.36Å; L473-I475 VanDerWaalsContact C-N 3.35Å; L473-I475 PolarHBondContact O-N 3.09Å; I475-D477 VanDerWaalsContact C-N 3.27Å; I475-D477 PolarHBondContact O-N 3.01Å
476N56.7Low76.9Confident110 Ų11092 Ų9259%0.58846%0.455SS*.  trans-78.472.3176.4-120.6-39000110.9V474 S478 R482V474-N476 PolarHBondContact O-N 2.84Å; N476-S478 VanDerWaalsContact C-N 3.33Å; N476-S478 PolarHBondContact O-N 2.87Å; N476-R482 PolarHBondContact OD1-NH2 3.22Å
477D60.3Low76.6Confident49 Ų4994.8 Ų94.826%0.26247%0.467SS..  trans-74.385174.9-171.9-9.8000111I475 S479 K480I475-D477 VanDerWaalsContact C-N 3.27Å; I475-D477 PolarHBondContact O-N 3.01Å; D477-S479 PolarHBondContact O-N 2.83Å; D477-S479 WeakPolarHBondContact OD1-CB 3.38Å; D477-S479 PolarHBondContact OD1-N 3.46Å; D477-S479 VanDerWaalsContact OD1-N 3.13Å; D477-S479 PolarHBondContact OD1-OG 2.78Å; D477-K480 HydrophobicContact CB-CD 4.44Å; D477-K480 PolarHBondContact O-N 3.45Å; D477-K480 WeakPolarHBondContact OD2-CD 3.48Å; D477-K480 WeakPolarHBondContact OD2-CE 3.19Å; D477-K480 IonicContact OD2-NZ 2.66Å; D477-K480 PolarHBondContact OD2-NZ 3.09Å
478S60.2Low76.4Confident117 Ų11798.4 Ų98.482%0.81848%0.481SS*.THydrogen-bonded Turntrans-65.2-3.7-179.857.60000114.7N476N476-S478 VanDerWaalsContact C-N 3.33Å; N476-S478 PolarHBondContact O-N 2.87Å
479S62Low76.3Confident102 Ų10296.5 Ų96.571%0.71348%0.478SS*.THydrogen-bonded Turntrans-85.3-18.1177.577.20000114D477D477-S479 PolarHBondContact O-N 2.83Å; D477-S479 WeakPolarHBondContact OD1-CB 3.38Å; D477-S479 PolarHBondContact OD1-N 3.46Å; D477-S479 VanDerWaalsContact OD1-N 3.13Å; D477-S479 PolarHBondContact OD1-OG 2.78Å
480K63.5Low76.2Confident132 Ų13296.4 Ų96.457%0.57448%0.477SS*.SBendtrans-93.4139.7-175.6-72172.4179.6138.10112.1D477 R482D477-K480 HydrophobicContact CB-CD 4.44Å; D477-K480 PolarHBondContact O-N 3.45Å; D477-K480 WeakPolarHBondContact OD2-CD 3.48Å; D477-K480 WeakPolarHBondContact OD2-CE 3.19Å; D477-K480 IonicContact OD2-NZ 2.66Å; D477-K480 PolarHBondContact OD2-NZ 3.09Å; K480-R482 PolarHBondContact O-N 3.4Å
481R65.5Low76.2Confident234 Ų23496.9 Ų96.988%0.88348%0.483SS*.  trans-65.5115.8168.7-75.5-174.4175.4-176.6-1.3109
482R76.6Confident76.3Confident132 Ų13295.5 Ų95.550%0.49849%0.487SS..  trans-65.3131170.3-65.3-172.7-179.9175.5-2.5109.6N476 K480 N506N476-R482 PolarHBondContact OD1-NH2 3.22Å; K480-R482 PolarHBondContact O-N 3.4Å; R482-N506 WeakPolarHBondContact CA-O 3.3Å; R482-N506 VanDerWaalsContact CB-O 3.23Å; R482-N506 WeakPolarHBondContact CB-O 3.38Å; R482-N506 WeakPolarHBondContact CG-O 3.49Å
483I79.4Confident76.6Confident123 Ų12390.8 Ų90.863%0.63147%0.474SS*.  trans-133136.1-179.5-62.6174.5000106.6P485I483-P485 WeakPolarHBondContact O-CD 3.46Å
484Q85.7Confident77Confident47 Ų4791.6 Ų91.622%0.2249%0.486CS..PPolyproline II helixtrans-72.7119177.9-166.164.83.400109.3T486 P508 D509 E512Q484-T486 PolarHBondContact O-N 2.83Å; Q484-P508 HydrophobicContact CB-CG 4.04Å; Q484-D509 PolarHBondContact NE2-O 2.86Å; Q484-D509 PolarHBondContact OE1-O 3.2Å; Q484-E512 WeakPolarHBondContact CG-OE2 3.33Å; Q484-E512 PolarHBondContact NE2-OE2 2.95Å
485P84.9Confident77.8Confident15 Ų1592.4 Ų92.410%0.09749%0.487CS..PPolyproline II helixtrans-72.8127.3-177.629.9-34.1000109.9I483 L490 A507 A513I483-P485 WeakPolarHBondContact O-CD 3.46Å; P485-L490 HydrophobicContact CB-CD2 3.94Å; P485-L490 HydrophobicContact CB-CG 4.1Å; P485-L490 HydrophobicContact CG-CD1 4.47Å; P485-L490 HydrophobicContact CG-CD2 4.07Å; P485-L490 HydrophobicContact CG-CG 4.37Å; P485-A507 HydrophobicContact CG-CB 4.32Å; P485-A513 HydrophobicContact CG-CB 3.99Å
486T85.6Confident79.1Confident70 Ų7092 Ų9243%0.42949%0.486SS..PPolyproline II helixtrans-72.6157.5176.267.20000110.9Q484 E488 Q489 L490Q484-T486 PolarHBondContact O-N 2.83Å; T486-E488 PolarHBondContact O-N 3.4Å; T486-Q489 WeakPolarHBondContact O-CB 3.44Å; T486-Q489 PolarHBondContact O-N 3.11Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.41Å; T486-Q489 PolarHBondContact OG1-N 3.29Å; T486-L490 PolarHBondContact O-N 2.82Å
487H85.4Confident80.7Confident93 Ų9387.1 Ų87.143%0.43146%0.462SS..Hα-helixtrans-55.3-39.4176.6-179.670.1000112.2Q489 L490 V491 N516H487-Q489 VanDerWaalsContact C-N 3.34Å; H487-Q489 PolarHBondContact O-N 3.08Å; H487-L490 PolarHBondContact O-N 3.02Å; H487-V491 WeakPolarHBondContact O-CB 3.38Å; H487-V491 WeakPolarHBondContact O-CG2 3.43Å; H487-V491 PolarHBondContact O-N 2.97Å; H487-N516 PolarHBondContact CE1-O 3.04Å; H487-N516 PolarHBondContact ND1-O 2.87Å
488E86.2Confident82.1Confident161 Ų16189.3 Ų89.375%0.75247%0.471SS*.Hα-helixtrans-61.6-39.1174.6-63.5-177.6169.100112.8T486 V491 A492T486-E488 PolarHBondContact O-N 3.4Å; E488-V491 PolarHBondContact O-N 3.29Å; E488-A492 WeakPolarHBondContact O-CB 3.31Å; E488-A492 PolarHBondContact O-N 3.26Å
489Q86Confident83.5Confident100 Ų10085.2 Ų85.247%0.46744%0.444SS..Hα-helixtrans-67.9-42.2175.8-70.9166.7-10.300111.5T486 H487 V491 A492 L493T486-Q489 WeakPolarHBondContact O-CB 3.44Å; T486-Q489 PolarHBondContact O-N 3.11Å; T486-Q489 WeakPolarHBondContact OG1-CG 3.41Å; T486-Q489 PolarHBondContact OG1-N 3.29Å; H487-Q489 VanDerWaalsContact C-N 3.34Å; H487-Q489 PolarHBondContact O-N 3.08Å; Q489-V491 VanDerWaalsContact C-N 3.32Å; Q489-V491 PolarHBondContact O-N 2.92Å; Q489-A492 PolarHBondContact O-N 3.14Å; Q489-L493 WeakPolarHBondContact O-CG 3.22Å; Q489-L493 PolarHBondContact O-N 2.79Å
490L87.5Confident84.9Confident0 Ų080.3 Ų80.30%041%0.41CS..Hα-helixtrans-64.2-36.6174.7-66.4175.3000112P485 T486 H487 L493 L500 A503 N516 L517 Q521P485-L490 HydrophobicContact CB-CD2 3.94Å; P485-L490 HydrophobicContact CB-CG 4.1Å; P485-L490 HydrophobicContact CG-CD1 4.47Å; P485-L490 HydrophobicContact CG-CD2 4.07Å; P485-L490 HydrophobicContact CG-CG 4.37Å; T486-L490 PolarHBondContact O-N 2.82Å; H487-L490 PolarHBondContact O-N 3.02Å; L490-L493 PolarHBondContact O-N 2.88Å; L490-L500 HydrophobicContact CD2-CD2 4.45Å; L490-A503 HydrophobicContact CD2-CB 3.91Å; L490-N516 HydrophobicContact CD1-CB 3.84Å; L490-L517 HydrophobicContact CB-CD2 4.47Å; L490-L517 HydrophobicContact CD1-CD2 4.13Å; L490-L517 HydrophobicContact CD2-CD2 4.27Å; L490-Q521 PolarHBondContact O-NE2 2.88Å
491V86.7Confident86.1Confident77 Ų7774.4 Ų74.447%0.46738%0.384SS..Hα-helixtrans-68.2-37173169.90000111.6H487 E488 Q489 L493 G494H487-V491 WeakPolarHBondContact O-CB 3.38Å; H487-V491 WeakPolarHBondContact O-CG2 3.43Å; H487-V491 PolarHBondContact O-N 2.97Å; E488-V491 PolarHBondContact O-N 3.29Å; Q489-V491 VanDerWaalsContact C-N 3.32Å; Q489-V491 PolarHBondContact O-N 2.92Å; V491-L493 VanDerWaalsContact C-N 3.27Å; V491-L493 PolarHBondContact O-N 3.12Å; V491-G494 PolarHBondContact O-N 3.42Å
492A88.9Confident87Confident86 Ų8665.8 Ų65.871%0.71135%0.354SS*.Hα-helixtrans-65.8-25177.300000113.8E488 Q489 G494E488-A492 WeakPolarHBondContact O-CB 3.31Å; E488-A492 PolarHBondContact O-N 3.26Å; Q489-A492 PolarHBondContact O-N 3.14Å; A492-G494 PolarHBondContact O-N 3.08Å
493L87.6Confident87.5Confident65 Ų6560.5 Ų60.534%0.3434%0.339SS..THydrogen-bonded Turntrans-74.6-5.6170.7-62.4177.9000113.4Q489 L490 V491 N495 D496 A499 L500 A503Q489-L493 WeakPolarHBondContact O-CG 3.22Å; Q489-L493 PolarHBondContact O-N 2.79Å; L490-L493 PolarHBondContact O-N 2.88Å; V491-L493 VanDerWaalsContact C-N 3.27Å; V491-L493 PolarHBondContact O-N 3.12Å; L493-N495 PolarHBondContact O-N 2.89Å; L493-D496 PolarHBondContact O-N 2.98Å; L493-A499 HydrophobicContact CD1-CB 4.37Å; L493-A499 HydrophobicContact CD2-CB 4.03Å; L493-L500 HydrophobicContact CB-CD2 3.84Å; L493-L500 HydrophobicContact CB-CG 4.2Å; L493-L500 HydrophobicContact CD1-CD2 4.24Å; L493-A503 HydrophobicContact CD1-CB 3.83Å
494G90.5Very high87.9Confident32 Ų3254.7 Ų54.733%0.3331%0.309SS..THydrogen-bonded Turntrans60-123.417700000112V491 A492 Q521V491-G494 PolarHBondContact O-N 3.42Å; A492-G494 PolarHBondContact O-N 3.08Å; G494-Q521 VanDerWaalsContact O-CG 3.29Å; G494-Q521 WeakPolarHBondContact O-CG 3.07Å; G494-Q521 PolarHBondContact O-NE2 2.64Å
495N91.3Very high87.9Confident101 Ų10155.3 Ų55.354%0.5431%0.313SS..THydrogen-bonded Turntrans-116.526.6178.6-63.6-36.6000112.1L493 G497 A524L493-N495 PolarHBondContact O-N 2.89Å; N495-G497 PolarHBondContact O-N 2.84Å; N495-G497 VanDerWaalsContact O-N 3.17Å; N495-A524 HydrophobicContact CB-CB 4.33Å; N495-A524 WeakPolarHBondContact O-CB 3.38Å
496D91.1Very high87.8Confident85 Ų8556.4 Ų56.446%0.45532%0.319SS..  trans-74.9102.1175.1-173.7-28.9000110.3L493 E498 A499 L500L493-D496 PolarHBondContact O-N 2.98Å; D496-E498 PolarHBondContact O-N 3.1Å; D496-E498 WeakPolarHBondContact OD1-CB 3.39Å; D496-E498 PolarHBondContact OD1-N 3.22Å; D496-A499 HydrophobicContact CB-CB 3.98Å; D496-A499 PolarHBondContact O-N 3.27Å; D496-A499 PolarHBondContact OD1-N 3.23Å; D496-L500 VanDerWaalsContact O-CB 3.26Å; D496-L500 WeakPolarHBondContact O-CB 3.35Å; D496-L500 VanDerWaalsContact O-CD1 3.31Å; D496-L500 WeakPolarHBondContact O-CD1 3.28Å; D496-L500 WeakPolarHBondContact O-CG 3.22Å; D496-L500 PolarHBondContact O-N 3.1Å
497G89.3Confident87.7Confident9 Ų953.4 Ų53.49%0.09330%0.301CS..Hα-helixtrans-63.4-21.3-178.100000114.9N495 L501N495-G497 PolarHBondContact O-N 2.84Å; N495-G497 VanDerWaalsContact O-N 3.17Å; G497-L501 VanDerWaalsContact O-CB 3.24Å; G497-L501 WeakPolarHBondContact O-CB 3.24Å; G497-L501 PolarHBondContact O-N 3.29Å
498E90.5Very high87.6Confident95 Ų9553.1 Ų53.144%0.44431%0.307SS..Hα-helixtrans-79.5-53.5173.4-174.8167.2140.900110.1D496 L500 L501 Q502 Y528D496-E498 PolarHBondContact O-N 3.1Å; D496-E498 WeakPolarHBondContact OD1-CB 3.39Å; D496-E498 PolarHBondContact OD1-N 3.22Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.29Å; E498-L501 PolarHBondContact O-N 3.37Å; E498-L501 VanDerWaalsContact O-N 3.16Å; E498-Q502 WeakPolarHBondContact O-CG 3.38Å; E498-Q502 PolarHBondContact O-N 2.94Å; E498-Y528 HydrophobicContact CB-CD1 4.49Å; E498-Y528 HydrophobicContact CB-CD2 4.04Å; E498-Y528 HydrophobicContact CB-CE1 4.1Å; E498-Y528 HydrophobicContact CB-CE2 3.58Å; E498-Y528 HydrophobicContact CB-CG 4.47Å; E498-Y528 HydrophobicContact CG-CE1 4.17Å; E498-Y528 HydrophobicContact CG-CE2 4.02Å; E498-Y528 WeakPolarHBondContact CG-OH 3.41Å; E498-Y528 VanDerWaalsContact OE2-CE2 3.24Å; E498-Y528 WeakPolarHBondContact OE2-CE2 3.43Å; E498-Y528 VanDerWaalsContact OE2-CZ 3.23Å; E498-Y528 PolarHBondContact OE2-OH 2.73Å
499A88.6Confident87.6Confident30 Ų3049.1 Ų49.125%0.24829%0.291CS..Hα-helixtrans-63.8-39.4-176.700000112.1L493 D496 Q502 A503L493-A499 HydrophobicContact CD1-CB 4.37Å; L493-A499 HydrophobicContact CD2-CB 4.03Å; D496-A499 HydrophobicContact CB-CB 3.98Å; D496-A499 PolarHBondContact O-N 3.27Å; D496-A499 PolarHBondContact OD1-N 3.23Å; A499-Q502 PolarHBondContact O-N 3.22Å; A499-A503 WeakPolarHBondContact O-CB 3.24Å; A499-A503 PolarHBondContact O-N 2.95Å
500L91Very high87.6Confident0 Ų046.5 Ų46.50%028%0.284CS..Hα-helixtrans-63.7-42.5173.9-68.9164.7000111.8L490 L493 D496 E498 A503 I504 L517 Q521 I525L490-L500 HydrophobicContact CD2-CD2 4.45Å; L493-L500 HydrophobicContact CB-CD2 3.84Å; L493-L500 HydrophobicContact CB-CG 4.2Å; L493-L500 HydrophobicContact CD1-CD2 4.24Å; D496-L500 VanDerWaalsContact O-CB 3.26Å; D496-L500 WeakPolarHBondContact O-CB 3.35Å; D496-L500 VanDerWaalsContact O-CD1 3.31Å; D496-L500 WeakPolarHBondContact O-CD1 3.28Å; D496-L500 WeakPolarHBondContact O-CG 3.22Å; D496-L500 PolarHBondContact O-N 3.1Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.29Å; L500-A503 PolarHBondContact O-N 2.77Å; L500-I504 VanDerWaalsContact O-CD1 3.3Å; L500-I504 WeakPolarHBondContact O-CD1 3.44Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.19Å; L500-I504 PolarHBondContact O-N 2.72Å; L500-I504 VanDerWaalsContact O-N 3.11Å; L500-L517 HydrophobicContact CD2-CD2 4.07Å; L500-Q521 HydrophobicContact CD1-CB 3.84Å; L500-Q521 HydrophobicContact CD1-CG 3.84Å; L500-Q521 HydrophobicContact CD2-CG 4.48Å; L500-I525 HydrophobicContact CB-CD1 3.88Å; L500-I525 HydrophobicContact CB-CG1 3.74Å; L500-I525 HydrophobicContact CD1-CG1 4.39Å
501L88.8Confident87.5Confident7 Ų753.1 Ų53.14%0.03732%0.316CS..Hα-helixtrans-64.6-41.4177.2-179.256.6000111.7L473 G497 E498 I504 L505 I525 Y528 K529L473-L501 HydrophobicContact CD2-CD2 3.96Å; G497-L501 VanDerWaalsContact O-CB 3.24Å; G497-L501 WeakPolarHBondContact O-CB 3.24Å; G497-L501 PolarHBondContact O-N 3.29Å; E498-L501 PolarHBondContact O-N 3.37Å; E498-L501 VanDerWaalsContact O-N 3.16Å; L501-I504 PolarHBondContact O-N 3.21Å; L501-L505 HydrophobicContact CD1-CD1 3.93Å; L501-L505 HydrophobicContact CD1-CG 4.1Å; L501-L505 HydrophobicContact CG-CD1 3.9Å; L501-L505 HydrophobicContact CG-CG 4.49Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.45Å; L501-I525 HydrophobicContact CB-CG2 4.23Å; L501-I525 HydrophobicContact CD1-CG2 4.12Å; L501-Y528 HydrophobicContact CD2-CD1 4.07Å; L501-Y528 HydrophobicContact CD2-CE1 4.15Å; L501-K529 HydrophobicContact CD2-CD 4.49Å; L501-K529 HydrophobicContact CD2-CG 4.01Å
502Q86.3Confident87.5Confident53 Ų5354.1 Ų54.125%0.24832%0.316CS..Hα-helixtrans-64.4-38.7174.5-70.1-66.1-16.900112.1E498 A499 I504 L505 N506E498-Q502 WeakPolarHBondContact O-CG 3.38Å; E498-Q502 PolarHBondContact O-N 2.94Å; A499-Q502 PolarHBondContact O-N 3.22Å; Q502-I504 VanDerWaalsContact C-N 3.34Å; Q502-I504 PolarHBondContact O-N 3.36Å; Q502-L505 PolarHBondContact O-N 2.83Å; Q502-N506 WeakPolarHBondContact O-CB 3.46Å; Q502-N506 PolarHBondContact O-N 3.48Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; Q502-N506 PolarHBondContact O-ND2 3.48Å; Q502-N506 PolarHBondContact OE1-ND2 3.4Å
503A86.9Confident87.3Confident21 Ų2150 Ų5017%0.17428%0.282CS..Hα-helixtrans-62-40.5175.900000112.2L490 L493 A499 L500 A507L490-A503 HydrophobicContact CD2-CB 3.91Å; L493-A503 HydrophobicContact CD1-CB 3.83Å; A499-A503 WeakPolarHBondContact O-CB 3.24Å; A499-A503 PolarHBondContact O-N 2.95Å; L500-A503 PolarHBondContact O-N 2.77Å; A503-A507 PolarHBondContact O-N 3.07Å
504I88Confident87.3Confident2 Ų250.7 Ų50.71%0.0128%0.284CS..Hα-helixtrans-67.3-49.7176.8-62.8156.2000111.1L500 L501 Q502 N506 A507 S510 A513 E514 L517 I525L500-I504 VanDerWaalsContact O-CD1 3.3Å; L500-I504 WeakPolarHBondContact O-CD1 3.44Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.19Å; L500-I504 PolarHBondContact O-N 2.72Å; L500-I504 VanDerWaalsContact O-N 3.11Å; L501-I504 PolarHBondContact O-N 3.21Å; Q502-I504 VanDerWaalsContact C-N 3.34Å; Q502-I504 PolarHBondContact O-N 3.36Å; I504-N506 VanDerWaalsContact C-N 3.25Å; I504-N506 PolarHBondContact O-N 3.15Å; I504-A507 VanDerWaalsContact O-CB 3.24Å; I504-A507 WeakPolarHBondContact O-CB 3.1Å; I504-A507 PolarHBondContact O-N 3.2Å; I504-A507 VanDerWaalsContact O-N 3.1Å; I504-S510 WeakPolarHBondContact CG2-OG 3.41Å; I504-A513 HydrophobicContact CG1-CB 4.5Å; I504-E514 HydrophobicContact CD1-CG 4.21Å; I504-E514 HydrophobicContact CG1-CG 4.35Å; I504-E514 HydrophobicContact CG2-CG 3.73Å; I504-L517 HydrophobicContact CD1-CD1 3.66Å; I504-L517 HydrophobicContact CG1-CD1 4.34Å; I504-I525 HydrophobicContact CD1-CD1 3.55Å
505L84.6Confident87.2Confident59 Ų5953.1 Ų53.131%0.30930%0.295SS..Hα-helixtrans-67.6-23.5-175.7-69.9171.6000113.7L473 L501 Q502L473-L505 WeakPolarHBondContact O-CD1 3.48Å; L501-L505 HydrophobicContact CD1-CD1 3.93Å; L501-L505 HydrophobicContact CD1-CG 4.1Å; L501-L505 HydrophobicContact CG-CD1 3.9Å; L501-L505 HydrophobicContact CG-CG 4.49Å; L501-L505 WeakPolarHBondContact O-CG 3.45Å; L501-L505 PolarHBondContact O-N 3.45Å; Q502-L505 PolarHBondContact O-N 2.83Å
506N82.2Confident87Confident39 Ų3951 Ų5121%0.20928%0.284CS..THydrogen-bonded Turntrans-94.5-1.9175.5-70-79.5000113.6R482 Q502 I504R482-N506 WeakPolarHBondContact CA-O 3.3Å; R482-N506 VanDerWaalsContact CB-O 3.23Å; R482-N506 WeakPolarHBondContact CB-O 3.38Å; R482-N506 WeakPolarHBondContact CG-O 3.49Å; Q502-N506 WeakPolarHBondContact O-CB 3.46Å; Q502-N506 PolarHBondContact O-N 3.48Å; Q502-N506 VanDerWaalsContact O-N 3.12Å; Q502-N506 PolarHBondContact O-ND2 3.48Å; Q502-N506 PolarHBondContact OE1-ND2 3.4Å; I504-N506 VanDerWaalsContact C-N 3.25Å; I504-N506 PolarHBondContact O-N 3.15Å
507A84.9Confident87Confident7 Ų747.3 Ų47.36%0.05826%0.264CS..  trans-72138.4175.800000111.2P485 A503 I504 D509 A513P485-A507 HydrophobicContact CG-CB 4.32Å; A503-A507 PolarHBondContact O-N 3.07Å; I504-A507 VanDerWaalsContact O-CB 3.24Å; I504-A507 WeakPolarHBondContact O-CB 3.1Å; I504-A507 PolarHBondContact O-N 3.2Å; I504-A507 VanDerWaalsContact O-N 3.1Å; A507-D509 VanDerWaalsContact C-N 3.32Å; A507-A513 HydrophobicContact CB-CB 3.84Å
508P82.9Confident87.1Confident86 Ų8649.9 Ų49.956%0.55828%0.278SS*.SBendtrans-65.1-31.616925.4-33.3000113.1Q484Q484-P508 HydrophobicContact CB-CG 4.04Å
509D86.1Confident87.1Confident78 Ų7850.3 Ų50.342%0.41728%0.28SS..  trans-118.897.1165.8-170.1-30.7000110.5Q484 A507 M511 E512 A513Q484-D509 PolarHBondContact NE2-O 2.86Å; Q484-D509 PolarHBondContact OE1-O 3.2Å; A507-D509 VanDerWaalsContact C-N 3.32Å; D509-M511 VanDerWaalsContact C-N 3.27Å; D509-M511 PolarHBondContact O-N 2.89Å; D509-M511 WeakPolarHBondContact OD1-CA 3.31Å; D509-M511 WeakPolarHBondContact OD1-CB 3.36Å; D509-M511 PolarHBondContact OD1-N 3Å; D509-E512 HydrophobicContact CB-CB 4.22Å; D509-E512 PolarHBondContact OD1-N 3.15Å; D509-A513 PolarHBondContact O-N 3.23Å; D509-A513 VanDerWaalsContact O-N 3.12Å
510S85.3Confident87.3Confident45 Ų4553 Ų5332%0.31529%0.293SS..Hα-helixtrans-65.5-24.6176.9-176.80000113.6I504 E514I504-S510 WeakPolarHBondContact CG2-OG 3.41Å; S510-E514 WeakPolarHBondContact O-CB 3.38Å; S510-E514 WeakPolarHBondContact O-CG 3.34Å; S510-E514 PolarHBondContact O-N 2.69Å
511M85.7Confident87.4Confident139 Ų13953.2 Ų53.269%0.68529%0.294SS*.Hα-helixtrans-79.2-40.5-178.6-66.9-61.8-50.700111D509 E514 S515D509-M511 VanDerWaalsContact C-N 3.27Å; D509-M511 PolarHBondContact O-N 2.89Å; D509-M511 WeakPolarHBondContact OD1-CA 3.31Å; D509-M511 WeakPolarHBondContact OD1-CB 3.36Å; D509-M511 PolarHBondContact OD1-N 3Å; M511-E514 PolarHBondContact O-N 3.04Å; M511-S515 WeakPolarHBondContact O-CB 3.49Å; M511-S515 PolarHBondContact O-N 3.22Å
512E86.6Confident87.5Confident98 Ų9857.3 Ų57.346%0.45831%0.309SS..Hα-helixtrans-64.8-40.7170-177.9-172-127.400110.9Q484 D509 E514 S515 N516Q484-E512 WeakPolarHBondContact CG-OE2 3.33Å; Q484-E512 PolarHBondContact NE2-OE2 2.95Å; D509-E512 HydrophobicContact CB-CB 4.22Å; D509-E512 PolarHBondContact OD1-N 3.15Å; E512-E514 PolarHBondContact O-N 3.27Å; E512-S515 PolarHBondContact O-N 3.21Å; E512-S515 PolarHBondContact O-OG 3.31Å; E512-N516 PolarHBondContact O-N 3.13Å; E512-N516 PolarHBondContact O-ND2 3.47Å
513A85.6Confident87.9Confident0 Ų059 Ų590%032%0.32CS..Hα-helixtrans-60.9-43.9175.900000112.2P485 I504 A507 D509P485-A513 HydrophobicContact CG-CB 3.99Å; I504-A513 HydrophobicContact CG1-CB 4.5Å; A507-A513 HydrophobicContact CB-CB 3.84Å; D509-A513 PolarHBondContact O-N 3.23Å; D509-A513 VanDerWaalsContact O-N 3.12Å
514E87.8Confident88.3Confident79 Ų7959 Ų5937%0.36932%0.32SS..Hα-helixtrans-68-31.5176.7-77.9-170.3175.100113.9I504 S510 M511 E512 N516 L517 R522I504-E514 HydrophobicContact CD1-CG 4.21Å; I504-E514 HydrophobicContact CG1-CG 4.35Å; I504-E514 HydrophobicContact CG2-CG 3.73Å; S510-E514 WeakPolarHBondContact O-CB 3.38Å; S510-E514 WeakPolarHBondContact O-CG 3.34Å; S510-E514 PolarHBondContact O-N 2.69Å; M511-E514 PolarHBondContact O-N 3.04Å; E512-E514 PolarHBondContact O-N 3.27Å; E514-N516 VanDerWaalsContact C-N 3.35Å; E514-L517 HydrophobicContact CB-CD1 4.47Å; E514-L517 HydrophobicContact CG-CD1 4.44Å; E514-L517 WeakPolarHBondContact O-CB 3.39Å; E514-L517 PolarHBondContact O-N 3.42Å; E514-R522 PolarHBondContact O-NH1 3.03Å
515S87.9Confident88.5Confident83 Ų8359.3 Ų59.358%0.5832%0.322SS*.Hα-helixtrans-71.1-30.9179.579.80000112.6M511 E512 L517M511-S515 WeakPolarHBondContact O-CB 3.49Å; M511-S515 PolarHBondContact O-N 3.22Å; E512-S515 PolarHBondContact O-N 3.21Å; E512-S515 PolarHBondContact O-OG 3.31Å; S515-L517 PolarHBondContact O-N 3.4Å
516N87.8Confident88.8Confident55 Ų5559.7 Ų59.729%0.29432%0.322SS..THydrogen-bonded Turntrans-75.2-5177.4-80.9-75.1000114.4H487 L490 E512 E514H487-N516 PolarHBondContact CE1-O 3.04Å; H487-N516 PolarHBondContact ND1-O 2.87Å; L490-N516 HydrophobicContact CD1-CB 3.84Å; E512-N516 PolarHBondContact O-N 3.13Å; E512-N516 PolarHBondContact O-ND2 3.47Å; E514-N516 VanDerWaalsContact C-N 3.35Å
517L89.9Confident89.4Confident9 Ų964.2 Ų64.25%0.04734%0.341CS..SBendtrans-80144178.7-61.4168.1000112.5L490 L500 I504 E514 S515 Q521 R522 I525L490-L517 HydrophobicContact CB-CD2 4.47Å; L490-L517 HydrophobicContact CD1-CD2 4.13Å; L490-L517 HydrophobicContact CD2-CD2 4.27Å; L500-L517 HydrophobicContact CD2-CD2 4.07Å; I504-L517 HydrophobicContact CD1-CD1 3.66Å; I504-L517 HydrophobicContact CG1-CD1 4.34Å; E514-L517 HydrophobicContact CB-CD1 4.47Å; E514-L517 HydrophobicContact CG-CD1 4.44Å; E514-L517 WeakPolarHBondContact O-CB 3.39Å; E514-L517 PolarHBondContact O-N 3.42Å; S515-L517 PolarHBondContact O-N 3.4Å; L517-Q521 HydrophobicContact CB-CB 4.38Å; L517-Q521 HydrophobicContact CD2-CB 4.25Å; L517-R522 HydrophobicContact CB-CG 4.1Å; L517-R522 HydrophobicContact CD1-CG 4.03Å; L517-R522 PolarHBondContact O-NH1 3.19Å; L517-I525 HydrophobicContact CD1-CD1 3.76Å
518T91.2Very high89.8Confident62 Ų6266.3 Ų66.338%0.3835%0.348SS..  trans-72.2162.9164.367.40000111.2V520 Q521 R522T518-V520 VanDerWaalsContact C-N 3.34Å; T518-V520 PolarHBondContact O-N 2.64Å; T518-Q521 PolarHBondContact O-N 2.9Å; T518-Q521 VanDerWaalsContact OG1-CD 3.31Å; T518-Q521 VanDerWaalsContact OG1-CG 3.27Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.32Å; T518-Q521 PolarHBondContact OG1-N 2.87Å; T518-Q521 PolarHBondContact OG1-OE1 3.41Å; T518-R522 PolarHBondContact O-N 3.41Å; T518-R522 VanDerWaalsContact O-N 3.16Å
519Q91.6Very high90.2Very high104 Ų10465 Ų6549%0.48633%0.334SS..Hα-helixtrans-64-39.1178.3-171.756.635.600112.5Q521 R522 D523Q519-Q521 PolarHBondContact O-N 3.06Å; Q519-R522 PolarHBondContact O-N 3.42Å; Q519-R522 VanDerWaalsContact O-N 3.12Å; Q519-D523 PolarHBondContact NE2-OD1 2.86Å; Q519-D523 PolarHBondContact O-N 2.85Å
520V92.8Very high90.5Very high86 Ų8666.4 Ų66.452%0.52134%0.338SS..Hα-helixtrans-60.6-35.3178.4-174.50000111.3T518 D523 A524T518-V520 VanDerWaalsContact C-N 3.34Å; T518-V520 PolarHBondContact O-N 2.64Å; V520-D523 PolarHBondContact O-N 3Å; V520-A524 WeakPolarHBondContact O-CB 3.49Å; V520-A524 PolarHBondContact O-N 2.84Å
521Q92.4Very high90.8Very high6 Ų666.3 Ų66.33%0.02834%0.337CS..Hα-helixtrans-70.3-41175.5-72.4171.3-49.500112.4L490 G494 L500 L517 T518 Q519 D523 A524 I525L490-Q521 PolarHBondContact O-NE2 2.88Å; G494-Q521 VanDerWaalsContact O-CG 3.29Å; G494-Q521 WeakPolarHBondContact O-CG 3.07Å; G494-Q521 PolarHBondContact O-NE2 2.64Å; L500-Q521 HydrophobicContact CD1-CB 3.84Å; L500-Q521 HydrophobicContact CD1-CG 3.84Å; L500-Q521 HydrophobicContact CD2-CG 4.48Å; L517-Q521 HydrophobicContact CB-CB 4.38Å; L517-Q521 HydrophobicContact CD2-CB 4.25Å; T518-Q521 PolarHBondContact O-N 2.9Å; T518-Q521 VanDerWaalsContact OG1-CD 3.31Å; T518-Q521 VanDerWaalsContact OG1-CG 3.27Å; T518-Q521 WeakPolarHBondContact OG1-CG 3.32Å; T518-Q521 PolarHBondContact OG1-N 2.87Å; T518-Q521 PolarHBondContact OG1-OE1 3.41Å; Q519-Q521 PolarHBondContact O-N 3.06Å; Q521-D523 VanDerWaalsContact C-N 3.35Å; Q521-A524 PolarHBondContact O-N 3.42Å; Q521-I525 WeakPolarHBondContact O-CD1 3.47Å; Q521-I525 VanDerWaalsContact O-CG1 3.28Å; Q521-I525 WeakPolarHBondContact O-CG1 3.36Å; Q521-I525 PolarHBondContact O-N 3.09Å
522R92.1Very high91Very high93 Ų9362.3 Ų62.335%0.35132%0.318SS..Hα-helixtrans-61.6-42.5171.4-74.8-170.6-71.9-87.1-7.5112.1E514 L517 T518 Q519 A524 I525 Q526E514-R522 PolarHBondContact O-NH1 3.03Å; L517-R522 HydrophobicContact CB-CG 4.1Å; L517-R522 HydrophobicContact CD1-CG 4.03Å; L517-R522 PolarHBondContact O-NH1 3.19Å; T518-R522 PolarHBondContact O-N 3.41Å; T518-R522 VanDerWaalsContact O-N 3.16Å; Q519-R522 PolarHBondContact O-N 3.42Å; Q519-R522 VanDerWaalsContact O-N 3.12Å; R522-A524 VanDerWaalsContact C-N 3.33Å; R522-A524 PolarHBondContact O-N 2.89Å; R522-I525 PolarHBondContact O-N 2.71Å; R522-Q526 WeakPolarHBondContact O-CB 3.45Å; R522-Q526 PolarHBondContact O-N 2.96Å
523D93.9Very high91.2Very high88 Ų8859.5 Ų59.547%0.47131%0.306SS..Hα-helixtrans-64.2-38.3176.7-59.7-20.3000111.2Q519 V520 Q521 Q526 H527Q519-D523 PolarHBondContact NE2-OD1 2.86Å; Q519-D523 PolarHBondContact O-N 2.85Å; V520-D523 PolarHBondContact O-N 3Å; Q521-D523 VanDerWaalsContact C-N 3.35Å; D523-Q526 PolarHBondContact O-N 3.32Å; D523-H527 WeakPolarHBondContact O-CB 3.48Å; D523-H527 PolarHBondContact O-N 3.21Å
524A94.2Very high91.4Very high22 Ų2264.7 Ų64.718%0.18233%0.33CS..Hα-helixtrans-67.1-43.1175.700000113.2N495 V520 Q521 R522 Q526 H527 Y528N495-A524 HydrophobicContact CB-CB 4.33Å; N495-A524 WeakPolarHBondContact O-CB 3.38Å; V520-A524 WeakPolarHBondContact O-CB 3.49Å; V520-A524 PolarHBondContact O-N 2.84Å; Q521-A524 PolarHBondContact O-N 3.42Å; R522-A524 VanDerWaalsContact C-N 3.33Å; R522-A524 PolarHBondContact O-N 2.89Å; A524-Q526 VanDerWaalsContact C-N 3.31Å; A524-Q526 PolarHBondContact O-N 2.62Å; A524-H527 PolarHBondContact O-N 3.15Å; A524-Y528 PolarHBondContact O-N 3.17Å
525I92.3Very high91.5Very high8 Ų864.6 Ų64.64%0.04133%0.332CS..Hα-helixtrans-60.1-43.1172.8-66.8156.1000110.4L500 L501 I504 L517 Q521 R522 Y528 K529L500-I525 HydrophobicContact CB-CD1 3.88Å; L500-I525 HydrophobicContact CB-CG1 3.74Å; L500-I525 HydrophobicContact CD1-CG1 4.39Å; L501-I525 HydrophobicContact CB-CG2 4.23Å; L501-I525 HydrophobicContact CD1-CG2 4.12Å; I504-I525 HydrophobicContact CD1-CD1 3.55Å; L517-I525 HydrophobicContact CD1-CD1 3.76Å; Q521-I525 WeakPolarHBondContact O-CD1 3.47Å; Q521-I525 VanDerWaalsContact O-CG1 3.28Å; Q521-I525 WeakPolarHBondContact O-CG1 3.36Å; Q521-I525 PolarHBondContact O-N 3.09Å; R522-I525 PolarHBondContact O-N 2.71Å; I525-Y528 PolarHBondContact O-N 3.18Å; I525-K529 HydrophobicContact CG2-CD 4.09Å; I525-K529 WeakPolarHBondContact O-CG 3.28Å; I525-K529 PolarHBondContact O-N 3.01Å
526Q92.3Very high91.7Very high66 Ų6661 Ų6131%0.30831%0.308SS..Hα-helixtrans-64.7-44.7178.8-176.660.819.600111.4R522 D523 A524 Y528 K529 E530R522-Q526 WeakPolarHBondContact O-CB 3.45Å; R522-Q526 PolarHBondContact O-N 2.96Å; D523-Q526 PolarHBondContact O-N 3.32Å; A524-Q526 VanDerWaalsContact C-N 3.31Å; A524-Q526 PolarHBondContact O-N 2.62Å; Q526-Y528 VanDerWaalsContact C-N 3.32Å; Q526-Y528 PolarHBondContact O-N 3.48Å; Q526-K529 PolarHBondContact O-N 2.25Å; Q526-E530 PolarHBondContact NE2-OE1 2.71Å; Q526-E530 WeakPolarHBondContact O-CB 3.4Å; Q526-E530 WeakPolarHBondContact O-CG 3.01Å; Q526-E530 PolarHBondContact O-N 2.81Å
527H94.1Very high91.7Very high134 Ų13460 Ų6062%0.6230%0.302SS*.Hα-helixtrans-61.4-38.2175.2-173.6-69.6000112.3D523 A524 E530 S531D523-H527 WeakPolarHBondContact O-CB 3.48Å; D523-H527 PolarHBondContact O-N 3.21Å; A524-H527 PolarHBondContact O-N 3.15Å; H527-E530 PolarHBondContact O-N 2.92Å; H527-S531 PolarHBondContact O-N 2.39Å
528Y93.2Very high91.6Very high52 Ų5263 Ų6320%0.20432%0.32CS..Hα-helixtrans-63.3-49.5174.4175.7-100.1000111.8L473 E498 L501 A524 I525 Q526 E530 S531 I532L473-Y528 HydrophobicContact CD2-CD1 4.26Å; L473-Y528 HydrophobicContact CD2-CE1 3.58Å; E498-Y528 HydrophobicContact CB-CD1 4.49Å; E498-Y528 HydrophobicContact CB-CD2 4.04Å; E498-Y528 HydrophobicContact CB-CE1 4.1Å; E498-Y528 HydrophobicContact CB-CE2 3.58Å; E498-Y528 HydrophobicContact CB-CG 4.47Å; E498-Y528 HydrophobicContact CG-CE1 4.17Å; E498-Y528 HydrophobicContact CG-CE2 4.02Å; E498-Y528 WeakPolarHBondContact CG-OH 3.41Å; E498-Y528 VanDerWaalsContact OE2-CE2 3.24Å; E498-Y528 WeakPolarHBondContact OE2-CE2 3.43Å; E498-Y528 VanDerWaalsContact OE2-CZ 3.23Å; E498-Y528 PolarHBondContact OE2-OH 2.73Å; L501-Y528 HydrophobicContact CD2-CD1 4.07Å; L501-Y528 HydrophobicContact CD2-CE1 4.15Å; A524-Y528 PolarHBondContact O-N 3.17Å; I525-Y528 PolarHBondContact O-N 3.18Å; Q526-Y528 VanDerWaalsContact C-N 3.32Å; Q526-Y528 PolarHBondContact O-N 3.48Å; Y528-E530 VanDerWaalsContact C-N 3.3Å; Y528-E530 PolarHBondContact O-N 3.38Å; Y528-S531 PolarHBondContact O-N 2.99Å; Y528-I532 HydrophobicContact CD1-CG1 4.46Å; Y528-I532 HydrophobicContact CD2-CG1 4.41Å; Y528-I532 HydrophobicContact CE1-CG1 4Å; Y528-I532 HydrophobicContact CE2-CD1 4.1Å; Y528-I532 HydrophobicContact CE2-CG1 3.96Å; Y528-I532 WeakPolarHBondContact O-CG1 3.48Å; Y528-I532 PolarHBondContact O-N 2.94Å
529K90.9Very high91.3Very high57 Ų5766.6 Ų66.625%0.24833%0.333CS..Hα-helixtrans-56.7-43.6175.2-70.1172.7178.8173.30111.6L473 L501 I525 Q526 I533L473-K529 HydrophobicContact CD1-CB 4.44Å; L473-K529 HydrophobicContact CD1-CG 4.18Å; L501-K529 HydrophobicContact CD2-CD 4.49Å; L501-K529 HydrophobicContact CD2-CG 4.01Å; I525-K529 HydrophobicContact CG2-CD 4.09Å; I525-K529 WeakPolarHBondContact O-CG 3.28Å; I525-K529 PolarHBondContact O-N 3.01Å; Q526-K529 PolarHBondContact O-N 2.25Å; K529-I533 WeakPolarHBondContact O-CD1 3.38Å; K529-I533 VanDerWaalsContact O-CG1 3.28Å; K529-I533 WeakPolarHBondContact O-CG1 3.31Å; K529-I533 PolarHBondContact O-N 3.02Å; K529-I533 VanDerWaalsContact O-N 3.16Å
530E92.2Very high91.1Very high108 Ų10865.5 Ų65.551%0.50533%0.33SS..Hα-helixtrans-66.3-39.7178-75177.7-169.400112.7Q526 H527 Y528 I533 H534Q526-E530 PolarHBondContact NE2-OE1 2.71Å; Q526-E530 WeakPolarHBondContact O-CB 3.4Å; Q526-E530 WeakPolarHBondContact O-CG 3.01Å; Q526-E530 PolarHBondContact O-N 2.81Å; H527-E530 PolarHBondContact O-N 2.92Å; Y528-E530 VanDerWaalsContact C-N 3.3Å; Y528-E530 PolarHBondContact O-N 3.38Å; E530-I533 PolarHBondContact O-N 3.2Å; E530-H534 WeakPolarHBondContact O-CB 3.39Å; E530-H534 PolarHBondContact O-N 3.07Å
531S92.6Very high90.9Very high44 Ų4461.9 Ų61.931%0.30831%0.308SS..Hα-helixtrans-63.2-50.7174.7-1560000111.2H527 Y528 I533 H534 D535H527-S531 PolarHBondContact O-N 2.39Å; Y528-S531 PolarHBondContact O-N 2.99Å; S531-I533 VanDerWaalsContact C-N 3.25Å; S531-I533 PolarHBondContact O-N 3.41Å; S531-H534 PolarHBondContact O-N 2.89Å; S531-H534 VanDerWaalsContact O-N 3.07Å; S531-D535 WeakPolarHBondContact O-CB 3.48Å; S531-D535 PolarHBondContact O-N 2.83Å; S531-D535 PolarHBondContact OG-OD2 3.48Å
532I90.6Very high90.4Very high54 Ų5465.3 Ų65.328%0.27733%0.331SS..Hα-helixtrans-57.6-39.2-179.7-66-65000111.6L473 Y528 A536L473-I532 HydrophobicContact CD1-CG2 4.47Å; L473-I532 HydrophobicContact CD2-CB 4.4Å; L473-I532 HydrophobicContact CD2-CG1 4.29Å; L473-I532 HydrophobicContact CD2-CG2 4.19Å; L473-I532 HydrophobicContact CG-CG2 4.3Å; Y528-I532 HydrophobicContact CD1-CG1 4.46Å; Y528-I532 HydrophobicContact CD2-CG1 4.41Å; Y528-I532 HydrophobicContact CE1-CG1 4Å; Y528-I532 HydrophobicContact CE2-CD1 4.1Å; Y528-I532 HydrophobicContact CE2-CG1 3.96Å; Y528-I532 WeakPolarHBondContact O-CG1 3.48Å; Y528-I532 PolarHBondContact O-N 2.94Å; I532-A536 WeakPolarHBondContact O-CB 3.49Å; I532-A536 PolarHBondContact O-N 2.87Å; I532-A536 VanDerWaalsContact O-N 3.17Å
533I90Very high90.1Very high39 Ų3965.7 Ų65.720%0.235%0.346CS..Hα-helixtrans-70.7-45.1175.4-66.5166.6000111.5I466 A469 L470 K529 E530 S531 I537I466-I533 HydrophobicContact CG1-CG2 4Å; I466-I533 HydrophobicContact CG2-CG2 4.4Å; A469-I533 HydrophobicContact CB-CG1 4.27Å; L470-I533 HydrophobicContact CD2-CD1 3.91Å; L470-I533 HydrophobicContact CG-CD1 4.46Å; K529-I533 WeakPolarHBondContact O-CD1 3.38Å; K529-I533 VanDerWaalsContact O-CG1 3.28Å; K529-I533 WeakPolarHBondContact O-CG1 3.31Å; K529-I533 PolarHBondContact O-N 3.02Å; K529-I533 VanDerWaalsContact O-N 3.16Å; E530-I533 PolarHBondContact O-N 3.2Å; S531-I533 VanDerWaalsContact C-N 3.25Å; S531-I533 PolarHBondContact O-N 3.41Å; I533-I537 HydrophobicContact CG2-CD1 3.89Å; I533-I537 WeakPolarHBondContact O-CD1 3.48Å; I533-I537 VanDerWaalsContact O-CG1 3.24Å; I533-I537 WeakPolarHBondContact O-CG1 3.21Å; I533-I537 PolarHBondContact O-N 2.78Å
534H90.5Very high89.9Confident110 Ų11063.5 Ų63.551%0.50933%0.331SS..Hα-helixtrans-59.5-49.3178.4170.9-89000111.6E530 S531 I537 V538E530-H534 WeakPolarHBondContact O-CB 3.39Å; E530-H534 PolarHBondContact O-N 3.07Å; S531-H534 PolarHBondContact O-N 2.89Å; S531-H534 VanDerWaalsContact O-N 3.07Å; H534-I537 WeakPolarHBondContact O-CB 3.45Å; H534-I537 PolarHBondContact O-N 3.24Å; H534-I537 VanDerWaalsContact O-N 3.17Å; H534-V538 WeakPolarHBondContact O-CG2 3.38Å; H534-V538 PolarHBondContact O-N 2.84Å
535D89.9Confident89.7Confident76 Ų7666.6 Ų66.641%0.40634%0.342SS..Hα-helixtrans-71.1-37.8-174-58.7-31.7000110.6S531 I537 V538 E539S531-D535 WeakPolarHBondContact O-CB 3.48Å; S531-D535 PolarHBondContact O-N 2.83Å; S531-D535 PolarHBondContact OG-OD2 3.48Å; D535-I537 PolarHBondContact O-N 2.88Å; D535-V538 PolarHBondContact O-N 2.74Å; D535-E539 WeakPolarHBondContact O-CB 3.42Å; D535-E539 PolarHBondContact O-N 2.93Å
536A90.2Very high89.7Confident9 Ų969.1 Ų69.17%0.07435%0.354CS..Hα-helixtrans-60.5-41.7169.300000112.5V465 A469 I532 N540V465-A536 HydrophobicContact CG1-CB 3.98Å; V465-A536 WeakPolarHBondContact CG1-O 3.2Å; A469-A536 HydrophobicContact CB-CB 3.91Å; I532-A536 WeakPolarHBondContact O-CB 3.49Å; I532-A536 PolarHBondContact O-N 2.87Å; I532-A536 VanDerWaalsContact O-N 3.17Å; A536-N540 WeakPolarHBondContact O-CB 3.23Å; A536-N540 PolarHBondContact O-N 3Å; A536-N540 PolarHBondContact O-ND2 2.99Å
537I89Confident89.7Confident33 Ų3367.6 Ų67.617%0.16935%0.349CS..Hα-helixtrans-64.3-46.7174.6-69.7165.4000110.8R462 V465 I466 I533 H534 D535 E539 N540 V541R462-I537 HydrophobicContact CG-CD1 4.22Å; R462-I537 HydrophobicContact CG-CG1 4.14Å; R462-I537 HydrophobicContact CG-CG2 4.18Å; V465-I537 HydrophobicContact CG1-CG1 4.4Å; I466-I537 HydrophobicContact CD1-CD1 4.08Å; I466-I537 HydrophobicContact CG1-CD1 3.8Å; I466-I537 HydrophobicContact CG1-CG1 4.16Å; I533-I537 HydrophobicContact CG2-CD1 3.89Å; I533-I537 WeakPolarHBondContact O-CD1 3.48Å; I533-I537 VanDerWaalsContact O-CG1 3.24Å; I533-I537 WeakPolarHBondContact O-CG1 3.21Å; I533-I537 PolarHBondContact O-N 2.78Å; H534-I537 WeakPolarHBondContact O-CB 3.45Å; H534-I537 PolarHBondContact O-N 3.24Å; H534-I537 VanDerWaalsContact O-N 3.17Å; D535-I537 PolarHBondContact O-N 2.88Å; I537-E539 VanDerWaalsContact C-N 3.34Å; I537-E539 PolarHBondContact O-N 2.92Å; I537-N540 PolarHBondContact O-N 2.86Å; I537-V541 CarbonylContact O-C 3.07Å; I537-V541 VanDerWaalsContact O-CA 3.31Å; I537-V541 WeakPolarHBondContact O-CA 3.41Å; I537-V541 PolarHBondContact O-N 3.11Å
538V87.2Confident89.6Confident72 Ų7262.9 Ų62.944%0.43633%0.331SS..Hα-helixtrans-63.7-39.7-178.4169.70000111.7H534 D535H534-V538 WeakPolarHBondContact O-CG2 3.38Å; H534-V538 PolarHBondContact O-N 2.84Å; D535-V538 PolarHBondContact O-N 2.74Å
539E85.9Confident89.6Confident138 Ų13860.4 Ų60.465%0.64532%0.321SS*.Hα-helixtrans-67.3-49.4176179.7-171.7-128.300112.3D535 I537D535-E539 WeakPolarHBondContact O-CB 3.42Å; D535-E539 PolarHBondContact O-N 2.93Å; I537-E539 VanDerWaalsContact C-N 3.34Å; I537-E539 PolarHBondContact O-N 2.92Å
540N86.8Confident89.7Confident81 Ų8157.7 Ų57.743%0.43331%0.31SS..Hα-helixtrans-98.8-26-165.7-65.3-99.9000113.9V465 A536 I537V465-N540 HydrophobicContact CG1-CB 4.03Å; V465-N540 HydrophobicContact CG2-CB 3.74Å; A536-N540 WeakPolarHBondContact O-CB 3.23Å; A536-N540 PolarHBondContact O-N 3Å; A536-N540 PolarHBondContact O-ND2 2.99Å; I537-N540 PolarHBondContact O-N 2.86Å
541V87.7Confident89.6Confident10 Ų1053.4 Ų53.46%0.06129%0.289CS..SBendtrans-141.863.3-173.6-174.40000110Y458 R461 R462 V465 I537Y458-V541 HydrophobicContact CD2-CG1 3.73Å; Y458-V541 HydrophobicContact CE2-CG1 3.27Å; Y458-V541 PolarHBondContact OH-O 3.43Å; R461-V541 HydrophobicContact CB-CG1 4.4Å; R461-V541 HydrophobicContact CB-CG2 4.07Å; R462-V541 HydrophobicContact CB-CG1 4.12Å; R462-V541 HydrophobicContact CG-CG1 4.44Å; V465-V541 HydrophobicContact CB-CG2 4.37Å; V465-V541 HydrophobicContact CG2-CG2 3.8Å; I537-V541 CarbonylContact O-C 3.07Å; I537-V541 VanDerWaalsContact O-CA 3.31Å; I537-V541 WeakPolarHBondContact O-CA 3.41Å; I537-V541 PolarHBondContact O-N 3.11Å
542P83.5Confident89.6Confident78 Ų7851.3 Ų51.351%0.50627%0.274SS..PPolyproline II helixtrans-59.3153.4-174.323.6-34.9000113.3Y458 R544Y458-P542 WeakPolarHBondContact CE2-O 3.43Å; Y458-P542 PolarHBondContact OH-O 3.28Å; P542-R544 PolarHBondContact O-N 3.41Å
543P85Confident89.5Confident101 Ų10149.1 Ų49.166%0.65626%0.262SS*.PPolyproline II helixtrans-67126.1-175.226.2-34.4000112.7
544R89Confident89.6Confident42 Ų4247.3 Ų47.316%0.15825%0.253CS..PPolyproline II helixtrans-72.3124.7-175.7-65.1178.461.1-134.4-11112.4E408 E451 Y458 P542 I546E408-R544 VanDerWaalsContact OE1-CB 3.31Å; E408-R544 WeakPolarHBondContact OE1-CB 3.49Å; E408-R544 VanDerWaalsContact OE1-CG 3.27Å; E408-R544 WeakPolarHBondContact OE1-CG 3.34Å; E408-R544 IonicContact OE1-CZ 3.09Å; E408-R544 IonicContact OE1-NE 3.54Å; E408-R544 PolarHBondContact OE1-NE 2.92Å; E408-R544 IonicContact OE1-NH2 3.43Å; E408-R544 IonicContact OE2-CZ 2.79Å; E408-R544 IonicContact OE2-NE 2.69Å; E408-R544 PolarHBondContact OE2-NE 3.04Å; E408-R544 IonicContact OE2-NH2 2.75Å; E408-R544 PolarHBondContact OE2-NH2 3.05Å; E451-R544 VanDerWaalsContact CD-NH2 3.34Å; E451-R544 IonicContact OE1-CZ 2.72Å; E451-R544 IonicContact OE1-NH1 2.77Å; E451-R544 PolarHBondContact OE1-NH1 2.94Å; E451-R544 IonicContact OE1-NH2 3.25Å; E451-R544 PolarHBondContact OE1-NH2 3.03Å; E451-R544 IonicContact OE2-NH2 2.91Å; E451-R544 PolarHBondContact OE2-NH2 3.3Å; E451-R544 VanDerWaalsContact OE2-NH2 3.09Å; Y458-R544 HydrophobicContact CD2-CG 3.79Å; Y458-R544 HydrophobicContact CE2-CG 3.69Å; Y458-R544 HydrophobicContact CG-CG 4.41Å; P542-R544 PolarHBondContact O-N 3.41Å; R544-I546 HydrophobicContact CB-CD1 3.85Å; R544-I546 HydrophobicContact CB-CG1 3.88Å; R544-I546 PolarHBondContact O-N 2.98Å; R544-I546 VanDerWaalsContact O-N 3.1Å
545Q90.4Very high89.6Confident87 Ų8742.7 Ų42.741%0.40723%0.233SC..  trans-84.778.1177.5-63.3-17529.300111.3E408 T409E408-Q545 WeakPolarHBondContact CA-O 3.26Å; T409-Q545 PolarHBondContact N-O 2.8Å
546I91.7Very high89.6Confident60 Ų6039.2 Ų39.231%0.30822%0.215SC..EExtended strand (participates in β ladder)trans-95.1139.7-177-51.7155.7000110.6Y406 M407 E451 R544Y406-I546 HydrophobicContact CD1-CG2 3.96Å; M407-I546 CarbonylContact O-C 3.53Å; E451-I546 WeakPolarHBondContact OE1-CD1 3.44Å; R544-I546 HydrophobicContact CB-CD1 3.85Å; R544-I546 HydrophobicContact CB-CG1 3.88Å; R544-I546 PolarHBondContact O-N 2.98Å; R544-I546 VanDerWaalsContact O-N 3.1Å
547T92.8Very high89.4Confident34 Ų3439.4 Ų39.421%0.20922%0.215CC..EExtended strand (participates in β ladder)trans-131.4112.6172.6-62.90000110.4M407 W573M407-T547 PolarHBondContact N-O 3.37Å; M407-T547 PolarHBondContact O-N 2.77Å; T547-W573 HydrophobicContact CG2-CE3 3.85Å; T547-W573 HydrophobicContact CG2-CZ3 4.42Å
548P93.2Very high89.3Confident35 Ų3540.5 Ų40.523%0.22722%0.219CC..EExtended strand (participates in β ladder)trans-69.7144.4170.727.4-33.1000111.7Q405 Y406 N574Q405-P548 CarbonylContact O-C 3.49Å; Q405-P548 VanDerWaalsContact O-CA 3.3Å; Q405-P548 WeakPolarHBondContact O-CA 3.33Å; Y406-P548 HydrophobicContact CD1-CB 4.02Å; Y406-P548 HydrophobicContact CE1-CB 3.9Å; P548-N574 PolarHBondContact O-N 2.91Å
549L92Very high89.1Confident0 Ų040.9 Ų40.90%022%0.223CC..EExtended strand (participates in β ladder)trans-145.7138.2177.563.8100.2000111.5Q405 M407 F445 R551 T571 L572 W573Q405-L549 HydrophobicContact CB-CD1 3.99Å; Q405-L549 HydrophobicContact CB-CG 4.12Å; Q405-L549 HydrophobicContact CG-CD1 4.23Å; Q405-L549 PolarHBondContact N-O 2.95Å; Q405-L549 VanDerWaalsContact N-O 3.09Å; Q405-L549 PolarHBondContact O-N 3.26Å; Q405-L549 VanDerWaalsContact OE1-CD1 3.25Å; M407-L549 HydrophobicContact CB-CD2 3.8Å; F445-L549 HydrophobicContact CD1-CD2 4.38Å; F445-L549 HydrophobicContact CE1-CD2 4.03Å; L549-R551 HydrophobicContact CD1-CG 3.88Å; L549-T571 HydrophobicContact CB-CG2 4.42Å; L549-T571 HydrophobicContact CD1-CG2 4.17Å; L549-L572 VanDerWaalsContact CA-O 3.3Å; L549-L572 WeakPolarHBondContact CA-O 3.3Å; L549-W573 HydrophobicContact CB-CD2 4.48Å; L549-W573 HydrophobicContact CB-CE3 3.96Å; L549-W573 HydrophobicContact CB-CZ3 4.28Å; L549-W573 HydrophobicContact CD2-CE3 3.98Å; L549-W573 HydrophobicContact CD2-CH2 3.98Å; L549-W573 HydrophobicContact CD2-CZ3 3.42Å; L549-W573 VanDerWaalsContact CD2-CZ3 3.42Å; L549-W573 HydrophobicContact CG-CZ3 4.45Å
550L92.4Very high89Confident1 Ų141.5 Ų41.51%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-105.4138.4171.1177.266.9000108.9R401 Y402 L404 L552 L572 P575 L580 L583R401-L550 HydrophobicContact CG-CD1 4.09Å; Y402-L550 WeakPolarHBondContact O-CD1 3.36Å; L404-L550 HydrophobicContact CD1-CB 4.34Å; L550-L552 HydrophobicContact CD2-CD2 4.14Å; L550-L552 HydrophobicContact CG-CD2 4.28Å; L550-L572 HydrophobicContact CB-CB 4.49Å; L550-L572 HydrophobicContact CD2-CD1 4.49Å; L550-L572 PolarHBondContact N-O 2.87Å; L550-L572 PolarHBondContact O-N 2.96Å; L550-P575 HydrophobicContact CB-CB 4.43Å; L550-P575 HydrophobicContact CB-CG 4.08Å; L550-L580 HydrophobicContact CD2-CD2 4.07Å; L550-L583 HydrophobicContact CD2-CD1 4.16Å
551R90.4Very high89Confident18 Ų1837.8 Ų37.87%0.06820%0.199CC..EExtended strand (participates in β ladder)trans-115.1142.9173-64.9-179.1-170.9-10411.8111Y402 Q405 L549 I570 T571 F605Y402-R551 HydrophobicContact CD2-CB 3.77Å; Y402-R551 WeakPolarHBondContact CD2-O 3.32Å; Y402-R551 PolarHBondContact N-O 2.99Å; Y402-R551 VanDerWaalsContact N-O 3.08Å; Q405-R551 VanDerWaalsContact OE1-NE 3.13Å; L549-R551 HydrophobicContact CD1-CG 3.88Å; R551-I570 WeakPolarHBondContact CA-O 3.29Å; R551-T571 HydrophobicContact CG-CG2 4.1Å; R551-T571 PolarHBondContact NH1-OG1 2.86Å; R551-T571 VanDerWaalsContact NH1-OG1 3.07Å; R551-F605 VanDerWaalsContact NE-CG 3.33Å
552L92.3Very high88.8Confident0 Ų038.4 Ų38.40%020%0.202CC..EExtended strand (participates in β ladder)trans-128.9144.3176.2-53.5175.3000109.7I398 R400 R401 L550 V554 S569 I570 L572 L583 F591I398-L552 HydrophobicContact CD1-CD1 4.19Å; I398-L552 HydrophobicContact CG1-CD1 4.46Å; I398-L552 HydrophobicContact CG2-CD2 4.15Å; R400-L552 CarbonylContact O-C 3.58Å; R400-L552 WeakPolarHBondContact O-CA 3.37Å; R401-L552 HydrophobicContact CB-CD2 3.94Å; R401-L552 HydrophobicContact CG-CD2 3.79Å; L550-L552 HydrophobicContact CD2-CD2 4.14Å; L550-L552 HydrophobicContact CG-CD2 4.28Å; L552-V554 HydrophobicContact CB-CG1 3.97Å; L552-S569 CarbonylContact O-C 3.59Å; L552-S569 VanDerWaalsContact O-CA 3.28Å; L552-S569 WeakPolarHBondContact O-CA 3.44Å; L552-I570 HydrophobicContact CB-CB 4.44Å; L552-I570 PolarHBondContact N-O 3.03Å; L552-I570 PolarHBondContact O-N 2.84Å; L552-L572 HydrophobicContact CD1-CD1 4.16Å; L552-L583 HydrophobicContact CD1-CD1 4.27Å; L552-L583 HydrophobicContact CD1-CD2 4.19Å; L552-F591 HydrophobicContact CD1-CE1 4.41Å; L552-F591 HydrophobicContact CD1-CZ 3.73Å
553R90.1Very high88.7Confident8 Ų838.6 Ų38.63%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-98.2128.7157.4-174.6-173.3-75.7-124.1-12.5107Q399 R400 Y402 S607 G689 N690 E692Q399-R553 WeakPolarHBondContact CA-O 3.42Å; Q399-R553 HydrophobicContact CB-CG 4.43Å; Q399-R553 WeakPolarHBondContact CB-O 3.37Å; Q399-R553 HydrophobicContact CG-CG 4.45Å; Q399-R553 PolarHBondContact N-O 2.96Å; R400-R553 HydrophobicContact CB-CB 3.92Å; R400-R553 HydrophobicContact CG-CB 4.46Å; R400-R553 PolarHBondContact N-O 2.99Å; R400-R553 PolarHBondContact O-N 3.27Å; Y402-R553 HydrophobicContact CE2-CB 4.17Å; Y402-R553 PolarHBondContact OH-NE 3.3Å; Y402-R553 VanDerWaalsContact OH-NE 3.14Å; R553-S607 PolarHBondContact NH2-OG 3.01Å; R553-G689 PolarHBondContact NH1-O 3Å; R553-N690 PolarHBondContact NH1-OD1 3.23Å; R553-N690 VanDerWaalsContact NH1-OD1 3.09Å; R553-E692 IonicContact CZ-OE1 3.25Å; R553-E692 IonicContact CZ-OE2 2.93Å; R553-E692 IonicContact NE-OE1 3.77Å; R553-E692 IonicContact NE-OE2 2.77Å; R553-E692 PolarHBondContact NE-OE2 3.4Å; R553-E692 IonicContact NH2-OE1 3.36Å; R553-E692 PolarHBondContact NH2-OE1 2.93Å; R553-E692 IonicContact NH2-OE2 3.32Å; R553-E692 PolarHBondContact NH2-OE2 3Å
554V92.2Very high88.3Confident0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-129.3144.9-177-55.30000111.5L381 V396 V397 I398 L552 S567 A568 I570L381-V554 HydrophobicContact CD2-CG2 4.24Å; V396-V554 HydrophobicContact CB-CB 3.91Å; V396-V554 HydrophobicContact CB-CG2 4.1Å; V396-V554 HydrophobicContact CG1-CB 4.38Å; V396-V554 HydrophobicContact CG1-CG2 4Å; V396-V554 HydrophobicContact CG2-CB 3.78Å; V396-V554 HydrophobicContact CG2-CG1 4.03Å; V396-V554 HydrophobicContact CG2-CG2 4.05Å; V397-V554 WeakPolarHBondContact O-CA 3.26Å; I398-V554 HydrophobicContact CG1-CG1 4.44Å; L552-V554 HydrophobicContact CB-CG1 3.97Å; V554-S567 CarbonylContact O-C 3.59Å; V554-S567 WeakPolarHBondContact O-CA 3.43Å; V554-S567 VanDerWaalsContact O-CB 3.25Å; V554-S567 WeakPolarHBondContact O-CB 3.35Å; V554-A568 PolarHBondContact N-O 3.22Å; V554-A568 PolarHBondContact O-N 2.99Å; V554-I570 HydrophobicContact CG1-CD1 3.86Å; V554-I570 HydrophobicContact CG1-CG1 4.25Å; V554-I570 HydrophobicContact CG2-CD1 3.86Å; V554-I570 HydrophobicContact CG2-CG1 3.99Å
555S90.1Very high87.8Confident14 Ų1435.1 Ų35.110%0.09820%0.199CC..EExtended strand (participates in β ladder)trans-108.5135.9175.4-53.50000109.9V396 V397 V659V396-S555 CarbonylContact C-O 3.23Å; V396-S555 VanDerWaalsContact CA-O 3.24Å; V396-S555 WeakPolarHBondContact CA-O 3.33Å; V396-S555 VanDerWaalsContact CB-O 3.31Å; V396-S555 WeakPolarHBondContact CB-O 3.3Å; V397-S555 PolarHBondContact N-O 3.23Å; V397-S555 PolarHBondContact O-N 3.21Å; S555-V659 VanDerWaalsContact CB-O 3.26Å; S555-V659 WeakPolarHBondContact CB-O 3.47Å; S555-V659 PolarHBondContact OG-O 2.85Å
556G88.7Confident87.3Confident2 Ų232.1 Ų32.12%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-73.6135.9177.200000112.2D561 Y566G556-D561 WeakPolarHBondContact CA-OD2 3.43Å; G556-D561 WeakPolarHBondContact O-CB 3.34Å; G556-Y566 PolarHBondContact N-O 2.97Å; G556-Y566 VanDerWaalsContact N-O 3.16Å
557I87.8Confident86.9Confident14 Ų1431.1 Ų31.17%0.07218%0.183CC..  trans-98.7-1179.677.7173.7000113.6R395 V397 I562 V588 I650 V651 V659R395-I557 HydrophobicContact CG-CD1 3.77Å; R395-I557 HydrophobicContact CG-CG1 4.21Å; V397-I557 HydrophobicContact CB-CG2 4.26Å; V397-I557 HydrophobicContact CG1-CG2 4.34Å; I557-I562 WeakPolarHBondContact O-CD1 3.5Å; I557-V588 HydrophobicContact CD1-CG1 3.63Å; I557-I650 HydrophobicContact CD1-CG2 3.6Å; I557-V651 HydrophobicContact CB-CG2 4.08Å; I557-V651 HydrophobicContact CD1-CG2 4.12Å; I557-V651 HydrophobicContact CG2-CG2 4.42Å; I557-V659 HydrophobicContact CG2-CG1 4.21Å
558H86Confident86.6Confident56 Ų5630 Ų3026%0.25918%0.177SC..SBendtrans-71.6142.7174.4178.9-89.9000109.4P380 R560 D561 I562P380-H558 HydrophobicContact CB-CB 4.02Å; P380-H558 HydrophobicContact CG-CB 4.38Å; P380-H558 WeakPolarHBondContact CG-ND1 3.43Å; H558-R560 PolarHBondContact ND1-N 2.97Å; H558-R560 PolarHBondContact O-N 3.13Å; H558-D561 WeakPolarHBondContact CB-OD2 3.23Å; H558-D561 WeakPolarHBondContact O-CA 3.41Å; H558-D561 WeakPolarHBondContact O-CB 3.31Å; H558-D561 PolarHBondContact O-N 3.16Å; H558-I562 PolarHBondContact O-N 3.29Å
559P83.7Confident86.4Confident80 Ų8029.3 Ų29.352%0.51917%0.173SC..Hα-helixtrans-51.7-31.9-173.7-31.936.6000115.9A563P559-A563 VanDerWaalsContact O-CB 3.26Å; P559-A563 WeakPolarHBondContact O-CB 3.42Å; P559-A563 PolarHBondContact O-N 3.11Å
560R83.3Confident86.4Confident151 Ų15129.3 Ų29.357%0.5717%0.173SC*.Hα-helixtrans-69.4-32.3173.6-64.5179.8-176.5-167.1-1.5114.2H558 S564H558-R560 PolarHBondContact ND1-N 2.97Å; H558-R560 PolarHBondContact O-N 3.13Å; R560-S564 PolarHBondContact O-N 3.29Å; R560-S564 PolarHBondContact O-OG 3.32Å
561D85.6Confident86.5Confident2 Ų229.5 Ų29.51%0.01117%0.174CC..Hα-helixtrans-75.9-43.7176.1-56.4-29.7000109.7P380 L381 C382 G556 H558 A563 S564 G565 Y566P380-D561 WeakPolarHBondContact CA-OD2 3.45Å; P380-D561 WeakPolarHBondContact CB-OD1 3.43Å; L381-D561 VanDerWaalsContact N-CG 3.27Å; L381-D561 PolarHBondContact N-OD1 2.97Å; L381-D561 PolarHBondContact N-OD2 3.29Å; C382-D561 WeakPolarHBondContact CB-OD1 3.43Å; C382-D561 PolarHBondContact N-OD1 3.19Å; C382-D561 PolarHBondContact SG-OD1 3.31Å; G556-D561 WeakPolarHBondContact CA-OD2 3.43Å; G556-D561 WeakPolarHBondContact O-CB 3.34Å; H558-D561 WeakPolarHBondContact CB-OD2 3.23Å; H558-D561 WeakPolarHBondContact O-CA 3.41Å; H558-D561 WeakPolarHBondContact O-CB 3.31Å; H558-D561 PolarHBondContact O-N 3.16Å; D561-A563 PolarHBondContact O-N 3.08Å; D561-S564 CarbonylContact O-C 3.56Å; D561-S564 PolarHBondContact O-N 2.79Å; D561-S564 VanDerWaalsContact O-N 3.13Å; D561-S564 PolarHBondContact O-OG 3.04Å; D561-G565 PolarHBondContact O-N 2.94Å; D561-Y566 PolarHBondContact O-N 2.85Å
562I84.3Confident86.7Confident23 Ų2328.6 Ų28.612%0.11817%0.171CC..Hα-helixtrans-56.9-50174.3-56.2-173.1000110.7I557 H558 S564 G565 N655 V659I557-I562 WeakPolarHBondContact O-CD1 3.5Å; H558-I562 PolarHBondContact O-N 3.29Å; I562-S564 PolarHBondContact O-N 2.7Å; I562-S564 VanDerWaalsContact O-N 3.15Å; I562-G565 PolarHBondContact O-N 3.47Å; I562-N655 HydrophobicContact CD1-CB 4.35Å; I562-N655 HydrophobicContact CG2-CB 4.28Å; I562-V659 HydrophobicContact CB-CG2 4.09Å; I562-V659 HydrophobicContact CD1-CG2 3.88Å; I562-V659 HydrophobicContact CG1-CG2 3.59Å; I562-V659 HydrophobicContact CG2-CG2 3.74Å
563A81.5Confident86.8Confident83 Ų8332.4 Ų32.469%0.68619%0.185SC*.THydrogen-bonded Turntrans-66.7-12.6-179.600000114.4P559 D561P559-A563 VanDerWaalsContact O-CB 3.26Å; P559-A563 WeakPolarHBondContact O-CB 3.42Å; P559-A563 PolarHBondContact O-N 3.11Å; D561-A563 PolarHBondContact O-N 3.08Å
564S77.3Confident86.9Confident42 Ų4234.3 Ų34.329%0.29420%0.196SC..THydrogen-bonded Turntrans-1150.9178.254.20000113.9R560 D561 I562 Y566R560-S564 PolarHBondContact O-N 3.29Å; R560-S564 PolarHBondContact O-OG 3.32Å; D561-S564 CarbonylContact O-C 3.56Å; D561-S564 PolarHBondContact O-N 2.79Å; D561-S564 VanDerWaalsContact O-N 3.13Å; D561-S564 PolarHBondContact O-OG 3.04Å; I562-S564 PolarHBondContact O-N 2.7Å; I562-S564 VanDerWaalsContact O-N 3.15Å; S564-Y566 PolarHBondContact O-N 3.09Å
565G78.5Confident87Confident28 Ų2835.2 Ų35.229%0.28920%0.202SC..THydrogen-bonded Turntrans59.622.6-17400000113.7D561 I562 S567D561-G565 PolarHBondContact O-N 2.94Å; I562-G565 PolarHBondContact O-N 3.47Å; G565-S567 PolarHBondContact O-N 2.9Å
566Y80.4Confident87.1Confident24 Ų2437.2 Ų37.29%0.09421%0.213CC..  trans-71.2120-164.1-164.1-84.2000112L381 C382 G556 D561 S564 A568 F614L381-Y566 HydrophobicContact CB-CD1 4.01Å; L381-Y566 HydrophobicContact CD2-CD1 3.92Å; L381-Y566 HydrophobicContact CD2-CE1 4.38Å; L381-Y566 HydrophobicContact CG-CD1 3.71Å; L381-Y566 HydrophobicContact CG-CE1 3.91Å; C382-Y566 HydrophobicContact CB-CD1 4.3Å; C382-Y566 HydrophobicContact CB-CD2 3.95Å; C382-Y566 HydrophobicContact CB-CG 3.84Å; G556-Y566 PolarHBondContact N-O 2.97Å; G556-Y566 VanDerWaalsContact N-O 3.16Å; D561-Y566 PolarHBondContact O-N 2.85Å; S564-Y566 PolarHBondContact O-N 3.09Å; Y566-A568 HydrophobicContact CE1-CB 4.36Å; Y566-F614 AromaticContact CD2-CE1 3.84Å; Y566-F614 HydrophobicContact CD2-CE1 3.84Å; Y566-F614 HydrophobicContact CE2-CD1 4.43Å; Y566-F614 AromaticContact CE2-CE1 3.88Å; Y566-F614 HydrophobicContact CE2-CE1 3.88Å
567S83.1Confident87.2Confident39 Ų3943.4 Ų43.427%0.27325%0.246SC..EExtended strand (participates in β ladder)trans-125152.1175.3580000111.7V554 G565V554-S567 CarbonylContact O-C 3.59Å; V554-S567 WeakPolarHBondContact O-CA 3.43Å; V554-S567 VanDerWaalsContact O-CB 3.25Å; V554-S567 WeakPolarHBondContact O-CB 3.35Å; G565-S567 PolarHBondContact O-N 2.9Å
568A86.3Confident87.4Confident11 Ų1149 Ų499%0.09127%0.272CS..EExtended strand (participates in β ladder)trans-140160.5-178.500000111.2L381 V554 Y566 L630L381-A568 HydrophobicContact CD1-CB 4.24Å; L381-A568 HydrophobicContact CD2-CB 4.04Å; L381-A568 HydrophobicContact CG-CB 4.25Å; V554-A568 PolarHBondContact N-O 3.22Å; V554-A568 PolarHBondContact O-N 2.99Å; Y566-A568 HydrophobicContact CE1-CB 4.36Å; A568-L630 HydrophobicContact CB-CD1 4.08Å
569S87.9Confident87.7Confident20 Ų2046.9 Ų46.914%0.1426%0.262CS..EExtended strand (participates in β ladder)trans-96.8134.2170.260.50000111.8L552 L630L552-S569 CarbonylContact O-C 3.59Å; L552-S569 VanDerWaalsContact O-CA 3.28Å; L552-S569 WeakPolarHBondContact O-CA 3.44Å; S569-L630 WeakPolarHBondContact O-CB 3.16Å; S569-L630 PolarHBondContact O-N 2.94Å
570I92.9Very high88.1Confident0 Ų045 Ų450%025%0.248CC..EExtended strand (participates in β ladder)trans-109.8130.2171.1-53.3-179.2000108.6I394 R551 L552 V554 L572 F591 L594 L630I394-I570 HydrophobicContact CD1-CD1 4.4Å; R551-I570 WeakPolarHBondContact CA-O 3.29Å; L552-I570 HydrophobicContact CB-CB 4.44Å; L552-I570 PolarHBondContact N-O 3.03Å; L552-I570 PolarHBondContact O-N 2.84Å; V554-I570 HydrophobicContact CG1-CD1 3.86Å; V554-I570 HydrophobicContact CG1-CG1 4.25Å; V554-I570 HydrophobicContact CG2-CD1 3.86Å; V554-I570 HydrophobicContact CG2-CG1 3.99Å; I570-L572 HydrophobicContact CG2-CD2 3.81Å; I570-L572 HydrophobicContact CG2-CG 4.04Å; I570-F591 HydrophobicContact CD1-CD1 4.41Å; I570-F591 HydrophobicContact CD1-CD2 3.97Å; I570-F591 HydrophobicContact CD1-CE1 4.21Å; I570-F591 HydrophobicContact CD1-CE2 3.76Å; I570-F591 HydrophobicContact CD1-CG 4.29Å; I570-F591 HydrophobicContact CD1-CZ 3.88Å; I570-L594 HydrophobicContact CD1-CD1 4.12Å; I570-L594 HydrophobicContact CG2-CD2 4.25Å; I570-L630 CarbonylContact C-O 3.54Å; I570-L630 WeakPolarHBondContact CA-O 3.3Å; I570-L630 HydrophobicContact CB-CB 4.41Å; I570-L630 HydrophobicContact CG1-CB 3.98Å; I570-L630 HydrophobicContact CG1-CD1 3.99Å
571T93.5Very high88.5Confident4 Ų441.2 Ų41.23%0.02524%0.244CC..EExtended strand (participates in β ladder)trans-111.3115.6170.4-53.90000110.3L549 R551 W573 L630 S631 G632L549-T571 HydrophobicContact CB-CG2 4.42Å; L549-T571 HydrophobicContact CD1-CG2 4.17Å; R551-T571 HydrophobicContact CG-CG2 4.1Å; R551-T571 PolarHBondContact NH1-OG1 2.86Å; R551-T571 VanDerWaalsContact NH1-OG1 3.07Å; T571-W573 HydrophobicContact CG2-CD2 4.32Å; T571-W573 HydrophobicContact CG2-CZ2 3.92Å; T571-L630 PolarHBondContact N-O 2.83Å; T571-S631 VanDerWaalsContact O-CA 3.27Å; T571-S631 WeakPolarHBondContact O-CA 3.45Å; T571-G632 PolarHBondContact O-N 3.29Å
572L95.2Very high88.8Confident0 Ų043.9 Ų43.90%026%0.258CS..EExtended strand (participates in β ladder)trans-101112.1-179.7-60.7172.3000109.3L549 L550 L552 I570 M579 L583 F591L549-L572 VanDerWaalsContact CA-O 3.3Å; L549-L572 WeakPolarHBondContact CA-O 3.3Å; L550-L572 HydrophobicContact CB-CB 4.49Å; L550-L572 HydrophobicContact CD2-CD1 4.49Å; L550-L572 PolarHBondContact N-O 2.87Å; L550-L572 PolarHBondContact O-N 2.96Å; L552-L572 HydrophobicContact CD1-CD1 4.16Å; I570-L572 HydrophobicContact CG2-CD2 3.81Å; I570-L572 HydrophobicContact CG2-CG 4.04Å; L572-M579 HydrophobicContact CD1-CE 4.3Å; L572-M579 HydrophobicContact CD2-CE 4.18Å; L572-L583 HydrophobicContact CD1-CD1 3.36Å; L572-F591 HydrophobicContact CD1-CE1 4.25Å; L572-F591 HydrophobicContact CD2-CE1 4.34Å
573W93.7Very high89.4Confident80 Ų8042.8 Ų42.830%0.30325%0.252SS..EExtended strand (participates in β ladder)trans-90.5128.1-177.5-59.794.1000111M407 T547 L549 T571 G632 G633M407-W573 HydrophobicContact CE-CH2 4.35Å; M407-W573 HydrophobicContact CE-CZ3 3.78Å; M407-W573 HydrophobicContact SD-CH2 4.04Å; M407-W573 HydrophobicContact SD-CZ3 3.88Å; T547-W573 HydrophobicContact CG2-CE3 3.85Å; T547-W573 HydrophobicContact CG2-CZ3 4.42Å; L549-W573 HydrophobicContact CB-CD2 4.48Å; L549-W573 HydrophobicContact CB-CE3 3.96Å; L549-W573 HydrophobicContact CB-CZ3 4.28Å; L549-W573 HydrophobicContact CD2-CE3 3.98Å; L549-W573 HydrophobicContact CD2-CH2 3.98Å; L549-W573 HydrophobicContact CD2-CZ3 3.42Å; L549-W573 VanDerWaalsContact CD2-CZ3 3.42Å; L549-W573 HydrophobicContact CG-CZ3 4.45Å; T571-W573 HydrophobicContact CG2-CD2 4.32Å; T571-W573 HydrophobicContact CG2-CZ2 3.92Å; W573-G632 PolarHBondContact N-O 2.78Å; W573-G633 VanDerWaalsContact O-CA 3.24Å; W573-G633 WeakPolarHBondContact O-CA 3.45Å
574N93.9Very high90Very high48 Ų4845 Ų4526%0.25725%0.247SC..SBendtrans50.460.2-170.9-57.9-81.7000112.5P548P548-N574 PolarHBondContact O-N 2.91Å
575P93.7Very high90.8Very high19 Ų1945 Ų4512%0.12324%0.242CC..  trans-60.9145175.929.6-35.4000110.5L404 L550 M579 L580L404-P575 HydrophobicContact CD1-CG 4.14Å; L550-P575 HydrophobicContact CB-CB 4.43Å; L550-P575 HydrophobicContact CB-CG 4.08Å; P575-M579 HydrophobicContact CB-CB 4.42Å; P575-M579 HydrophobicContact CB-SD 4.43Å; P575-L580 HydrophobicContact CB-CD2 4Å; P575-L580 HydrophobicContact CB-CG 4.33Å; P575-L580 HydrophobicContact CG-CD2 3.91Å; P575-L580 HydrophobicContact CG-CG 4.46Å
576T92.3Very high91.5Very high55 Ų5543.6 Ų43.634%0.33723%0.228SC..  trans-87.3162.3172.665.60000110.8E578 M579 L580T576-E578 PolarHBondContact O-N 2.87Å; T576-M579 HydrophobicContact CG2-SD 4.31Å; T576-M579 PolarHBondContact N-SD 2.93Å; T576-M579 VanDerWaalsContact N-SD 3.43Å; T576-M579 CarbonylContact O-C 3.55Å; T576-M579 WeakPolarHBondContact O-CA 3.26Å; T576-M579 WeakPolarHBondContact O-CB 3.42Å; T576-M579 PolarHBondContact O-N 3.25Å; T576-M579 VanDerWaalsContact OG1-CG 3.31Å; T576-M579 WeakPolarHBondContact OG1-CG 3.19Å; T576-M579 PolarHBondContact OG1-N 3.43Å; T576-L580 WeakPolarHBondContact O-CG 3.49Å; T576-L580 PolarHBondContact O-N 2.82Å
577D91.4Very high92.1Very high133 Ų13344 Ų4471%0.71123%0.23SC*.Hα-helixtrans-62-31179.5-48.6-68.3000112.6L580 S581D577-L580 PolarHBondContact O-N 3.41Å; D577-S581 WeakPolarHBondContact O-CB 3.41Å; D577-S581 PolarHBondContact O-N 3.36Å; D577-S581 PolarHBondContact O-OG 2.81Å; D577-S581 VanDerWaalsContact O-OG 3.08Å
578E90.8Very high92.6Very high131 Ų13142.1 Ų42.161%0.61222%0.218SC*.Hα-helixtrans-58.7-51.4168-175.5-173.4-171.900111.3T576 L580 S581 L582T576-E578 PolarHBondContact O-N 2.87Å; E578-L580 VanDerWaalsContact C-N 3.32Å; E578-L580 PolarHBondContact O-N 3.34Å; E578-S581 PolarHBondContact O-N 3.46Å; E578-S581 PolarHBondContact O-OG 3.36Å; E578-L582 HydrophobicContact CG-CD1 3.96Å; E578-L582 WeakPolarHBondContact O-CB 3.34Å; E578-L582 WeakPolarHBondContact O-CG 3.48Å; E578-L582 PolarHBondContact O-N 2.89Å
579M92.1Very high93Very high12 Ų1241.6 Ų41.66%0.05921%0.213CC..Hα-helixtrans-60.7-42.5174.6-58.4166.292.700111L572 P575 T576 S581 L582 L583 I638L572-M579 HydrophobicContact CD1-CE 4.3Å; L572-M579 HydrophobicContact CD2-CE 4.18Å; P575-M579 HydrophobicContact CB-CB 4.42Å; P575-M579 HydrophobicContact CB-SD 4.43Å; T576-M579 HydrophobicContact CG2-SD 4.31Å; T576-M579 PolarHBondContact N-SD 2.93Å; T576-M579 VanDerWaalsContact N-SD 3.43Å; T576-M579 CarbonylContact O-C 3.55Å; T576-M579 WeakPolarHBondContact O-CA 3.26Å; T576-M579 WeakPolarHBondContact O-CB 3.42Å; T576-M579 PolarHBondContact O-N 3.25Å; T576-M579 VanDerWaalsContact OG1-CG 3.31Å; T576-M579 WeakPolarHBondContact OG1-CG 3.19Å; T576-M579 PolarHBondContact OG1-N 3.43Å; M579-S581 VanDerWaalsContact C-N 3.3Å; M579-S581 PolarHBondContact O-N 2.9Å; M579-L582 PolarHBondContact O-N 3.06Å; M579-L583 HydrophobicContact CB-CD1 4Å; M579-L583 VanDerWaalsContact O-CB 3.26Å; M579-L583 WeakPolarHBondContact O-CB 3.42Å; M579-L583 VanDerWaalsContact O-CD1 3.28Å; M579-L583 WeakPolarHBondContact O-CD1 3.31Å; M579-L583 WeakPolarHBondContact O-CG 3.34Å; M579-L583 PolarHBondContact O-N 3.03Å; M579-L583 VanDerWaalsContact O-N 3.11Å; M579-I638 HydrophobicContact CB-CD1 4.45Å; M579-I638 HydrophobicContact CE-CD1 3.55Å; M579-I638 HydrophobicContact CE-CG1 4.34Å; M579-I638 HydrophobicContact CG-CD1 4.03Å
580L92.2Very high93.3Very high41 Ų4141.1 Ų41.122%0.21521%0.209CC..Hα-helixtrans-63.2-33.8179.2-66.7179.9000112.6R401 L404 L550 P575 T576 D577 E578R401-L580 VanDerWaalsContact CZ-O 3.32Å; R401-L580 PolarHBondContact NH1-O 3.24Å; R401-L580 PolarHBondContact NH2-O 3.12Å; L404-L580 HydrophobicContact CD1-CD2 4.34Å; L550-L580 HydrophobicContact CD2-CD2 4.07Å; P575-L580 HydrophobicContact CB-CD2 4Å; P575-L580 HydrophobicContact CB-CG 4.33Å; P575-L580 HydrophobicContact CG-CD2 3.91Å; P575-L580 HydrophobicContact CG-CG 4.46Å; T576-L580 WeakPolarHBondContact O-CG 3.49Å; T576-L580 PolarHBondContact O-N 2.82Å; D577-L580 PolarHBondContact O-N 3.41Å; E578-L580 VanDerWaalsContact C-N 3.32Å; E578-L580 PolarHBondContact O-N 3.34Å
581S92Very high93.4Very high70 Ų7041.1 Ų41.149%0.4921%0.209SC..Hα-helixtrans-83.1-33.4179.462.20000114D577 E578 M579 K584D577-S581 WeakPolarHBondContact O-CB 3.41Å; D577-S581 PolarHBondContact O-N 3.36Å; D577-S581 PolarHBondContact O-OG 2.81Å; D577-S581 VanDerWaalsContact O-OG 3.08Å; E578-S581 PolarHBondContact O-N 3.46Å; E578-S581 PolarHBondContact O-OG 3.36Å; M579-S581 VanDerWaalsContact C-N 3.3Å; M579-S581 PolarHBondContact O-N 2.9Å; S581-K584 VanDerWaalsContact O-CE 3.23Å; S581-K584 WeakPolarHBondContact O-CE 3.48Å
582L92.9Very high93.4Very high58 Ų5844.7 Ų44.730%0.30422%0.222SC..Hα-helixtrans-76.5-37.4178.6-69.6173.1000113.3E578 M579 K584E578-L582 HydrophobicContact CG-CD1 3.96Å; E578-L582 WeakPolarHBondContact O-CB 3.34Å; E578-L582 WeakPolarHBondContact O-CG 3.48Å; E578-L582 PolarHBondContact O-N 2.89Å; M579-L582 PolarHBondContact O-N 3.06Å; L582-K584 VanDerWaalsContact C-N 3.33Å; L582-K584 PolarHBondContact O-N 2.94Å
583L95Very high93.3Very high0 Ų050.3 Ų50.30%024%0.244CC..  trans-8365.4-166.3-65.1170.2000113.8I398 R401 L550 L552 L572 M579 V589 F591 I638I398-L583 HydrophobicContact CD1-CB 3.89Å; I398-L583 HydrophobicContact CD1-CD2 3.59Å; I398-L583 HydrophobicContact CD1-CG 4.38Å; R401-L583 WeakPolarHBondContact CD-O 3.4Å; R401-L583 PolarHBondContact NH1-O 2.86Å; L550-L583 HydrophobicContact CD2-CD1 4.16Å; L552-L583 HydrophobicContact CD1-CD1 4.27Å; L552-L583 HydrophobicContact CD1-CD2 4.19Å; L572-L583 HydrophobicContact CD1-CD1 3.36Å; M579-L583 HydrophobicContact CB-CD1 4Å; M579-L583 VanDerWaalsContact O-CB 3.26Å; M579-L583 WeakPolarHBondContact O-CB 3.42Å; M579-L583 VanDerWaalsContact O-CD1 3.28Å; M579-L583 WeakPolarHBondContact O-CD1 3.31Å; M579-L583 WeakPolarHBondContact O-CG 3.34Å; M579-L583 PolarHBondContact O-N 3.03Å; M579-L583 VanDerWaalsContact O-N 3.11Å; L583-V589 HydrophobicContact CD2-CG1 4.22Å; L583-V589 HydrophobicContact CD2-CG2 4.4Å; L583-F591 HydrophobicContact CD2-CE1 4.06Å; L583-F591 HydrophobicContact CD2-CZ 3.64Å; L583-I638 HydrophobicContact CD1-CD1 3.89Å; L583-I638 HydrophobicContact CD2-CD1 4.11Å; L583-I638 HydrophobicContact CD2-CG2 4.09Å; L583-I638 HydrophobicContact CG-CD1 4.36Å
584K94.3Very high93.3Very high131 Ų13146.6 Ų46.657%0.5723%0.23SC*.  trans-90.8157.8178.1-60.5171.3-175.4163.60111.7I398 S581 L582 E587I398-K584 WeakPolarHBondContact CB-O 3.23Å; I398-K584 WeakPolarHBondContact CD1-O 3.32Å; S581-K584 VanDerWaalsContact O-CE 3.23Å; S581-K584 WeakPolarHBondContact O-CE 3.48Å; L582-K584 VanDerWaalsContact C-N 3.33Å; L582-K584 PolarHBondContact O-N 2.94Å; K584-E587 HydrophobicContact CB-CG 3.92Å; K584-E587 WeakPolarHBondContact O-CB 3.34Å; K584-E587 PolarHBondContact O-N 3.25Å
585E94.4Very high93.4Very high40 Ų4050 Ų5019%0.18724%0.244CC..THydrogen-bonded Turntrans-65.2142172.2-61.4-177.1171.200110.6I398 R400 R401 E587 Y660 R663I398-E585 HydrophobicContact CG2-CG 4.4Å; I398-E585 WeakPolarHBondContact O-CA 3.3Å; R400-E585 VanDerWaalsContact CA-OE1 3.3Å; R400-E585 WeakPolarHBondContact CA-OE1 3.41Å; R401-E585 HydrophobicContact CB-CG 3.87Å; R401-E585 PolarHBondContact N-OE1 2.82Å; E585-E587 PolarHBondContact O-N 3.3Å; E585-Y660 HydrophobicContact CB-CE2 4.46Å; E585-R663 VanDerWaalsContact CD-NE 3.27Å; E585-R663 IonicContact OE1-CZ 3.08Å; E585-R663 VanDerWaalsContact OE1-CZ 3.28Å; E585-R663 IonicContact OE1-NE 3.04Å; E585-R663 PolarHBondContact OE1-NE 3.34Å; E585-R663 IonicContact OE1-NH2 2.79Å; E585-R663 PolarHBondContact OE1-NH2 3.11Å; E585-R663 VanDerWaalsContact OE2-CD 3.27Å; E585-R663 WeakPolarHBondContact OE2-CD 3.5Å; E585-R663 WeakPolarHBondContact OE2-CG 3.37Å; E585-R663 IonicContact OE2-NE 3.52Å; E585-R663 PolarHBondContact OE2-NE 2.93Å
586G93.2Very high93.3Very high0 Ų049.5 Ų49.50%024%0.24CC..THydrogen-bonded Turntrans78.1-9.6-174.900000115.5I398 H643 I644 Y660I398-G586 PolarHBondContact O-N 3.36Å; G586-H643 PolarHBondContact O-CD2 2.9Å; G586-I644 WeakPolarHBondContact O-CB 3.3Å; G586-I644 WeakPolarHBondContact O-CG2 3.46Å; G586-I644 PolarHBondContact O-N 3.13Å; G586-Y660 VanDerWaalsContact CA-CZ 3.43Å; G586-Y660 VanDerWaalsContact N-CE2 3.34Å; G586-Y660 PolarHBondContact N-OH 3.05Å
587E93.9Very high93.2Very high31 Ų3148.5 Ų48.515%0.14524%0.236CC..EExtended strand (participates in β ladder)trans-68.6135170-77.2-73.8124.800111.1V397 I398 K584 E585 V589 S640 G642 H643V397-E587 WeakPolarHBondContact CA-O 3.3Å; I398-E587 PolarHBondContact N-O 2.99Å; K584-E587 HydrophobicContact CB-CG 3.92Å; K584-E587 WeakPolarHBondContact O-CB 3.34Å; K584-E587 PolarHBondContact O-N 3.25Å; E585-E587 PolarHBondContact O-N 3.3Å; E587-V589 HydrophobicContact CB-CG2 4.02Å; E587-S640 PolarHBondContact OE2-OG 2.75Å; E587-G642 WeakPolarHBondContact OE2-CA 3.28Å; E587-H643 WeakPolarHBondContact OE1-CA 3.33Å; E587-H643 PolarHBondContact OE1-N 3.2Å
588V93.6Very high92.9Very high0 Ų044.1 Ų44.10%022%0.218CC..EExtended strand (participates in β ladder)trans-92.3124.2171.2-176.80000108.7R395 V396 V397 I557 L641 G642 I644 L647R395-V588 HydrophobicContact CG-CG1 4.31Å; V396-V588 WeakPolarHBondContact O-CA 3.36Å; V397-V588 HydrophobicContact CB-CG2 4.37Å; V397-V588 HydrophobicContact CG2-CG2 4.33Å; I557-V588 HydrophobicContact CD1-CG1 3.63Å; V588-L641 HydrophobicContact CG1-CB 4.5Å; V588-L641 HydrophobicContact CG1-CD1 4.26Å; V588-L641 PolarHBondContact O-N 3.1Å; V588-G642 PolarHBondContact N-O 3.46Å; V588-I644 HydrophobicContact CG2-CB 3.73Å; V588-I644 HydrophobicContact CG2-CD1 4.47Å; V588-I644 HydrophobicContact CG2-CG1 4Å; V588-L647 HydrophobicContact CB-CD1 3.64Å; V588-L647 HydrophobicContact CG1-CD1 4.27Å; V588-L647 HydrophobicContact CG2-CD1 3.68Å
589V93.7Very high92.4Very high0 Ų039.3 Ų39.30%020%0.198CC..EExtended strand (participates in β ladder)trans-136.1135.3-166.2-179.50000110.7R395 V396 I398 L583 E587 F591 I638 L639R395-V589 WeakPolarHBondContact CA-O 3.4Å; V396-V589 PolarHBondContact N-O 3.46Å; V396-V589 PolarHBondContact O-N 2.9Å; I398-V589 HydrophobicContact CD1-CG2 3.97Å; I398-V589 HydrophobicContact CG1-CG2 4.36Å; L583-V589 HydrophobicContact CD2-CG1 4.22Å; L583-V589 HydrophobicContact CD2-CG2 4.4Å; E587-V589 HydrophobicContact CB-CG2 4.02Å; V589-F591 HydrophobicContact CB-CD2 4.4Å; V589-F591 HydrophobicContact CB-CE2 4Å; V589-F591 HydrophobicContact CG1-CD2 3.85Å; V589-F591 HydrophobicContact CG1-CE2 3.62Å; V589-F591 HydrophobicContact CG1-CG 4.44Å; V589-F591 HydrophobicContact CG1-CZ 4.04Å; V589-I638 HydrophobicContact CG1-CG2 3.38Å; V589-L639 WeakPolarHBondContact CA-O 3.33Å
590E94.1Very high91.6Very high10 Ų1046.2 Ų46.25%0.04722%0.223CC..EExtended strand (participates in β ladder)trans-99.7117.7166.9-165.3165141.600110.4P378 S393 I394 R395 Y592 L639P378-E590 HydrophobicContact CB-CG 4.43Å; S393-E590 WeakPolarHBondContact OG-CG 3.29Å; S393-E590 PolarHBondContact OG-OE1 2.89Å; I394-E590 CarbonylContact O-C 3.55Å; I394-E590 VanDerWaalsContact O-CA 3.3Å; I394-E590 WeakPolarHBondContact O-CA 3.49Å; I394-E590 WeakPolarHBondContact O-CG 3.44Å; R395-E590 HydrophobicContact CB-CB 4.31Å; R395-E590 HydrophobicContact CB-CG 4.21Å; R395-E590 HydrophobicContact CG-CB 4.32Å; R395-E590 IonicContact CZ-OE2 2.98Å; R395-E590 IonicContact NE-OE2 3.22Å; R395-E590 PolarHBondContact NE-OE2 3.28Å; R395-E590 IonicContact NH2-OE2 2.99Å; R395-E590 PolarHBondContact NH2-OE2 3.28Å; E590-Y592 HydrophobicContact CB-CE2 4.31Å; E590-Y592 HydrophobicContact CG-CE1 4.17Å; E590-Y592 HydrophobicContact CG-CE2 4.09Å; E590-Y592 WeakPolarHBondContact OE1-CE1 3.31Å; E590-Y592 PolarHBondContact OE1-OH 3.46Å; E590-L639 HydrophobicContact CB-CB 4.42Å; E590-L639 PolarHBondContact N-O 3.05Å; E590-L639 PolarHBondContact O-N 3.47Å
591F94.8Very high90.5Very high0 Ų046.7 Ų46.70%023%0.233CC..EExtended strand (participates in β ladder)trans-99.4123.4178.2-72.6-95000110.3S393 I394 V396 L552 I570 L572 L583 V589 L594 T636 I638S393-F591 VanDerWaalsContact CA-O 3.29Å; S393-F591 WeakPolarHBondContact CA-O 3.23Å; I394-F591 HydrophobicContact CG1-CB 4.06Å; I394-F591 PolarHBondContact N-O 2.93Å; I394-F591 VanDerWaalsContact N-O 3.07Å; I394-F591 PolarHBondContact O-N 3.3Å; V396-F591 HydrophobicContact CG2-CD2 3.83Å; V396-F591 HydrophobicContact CG2-CE2 3.71Å; L552-F591 HydrophobicContact CD1-CE1 4.41Å; L552-F591 HydrophobicContact CD1-CZ 3.73Å; I570-F591 HydrophobicContact CD1-CD1 4.41Å; I570-F591 HydrophobicContact CD1-CD2 3.97Å; I570-F591 HydrophobicContact CD1-CE1 4.21Å; I570-F591 HydrophobicContact CD1-CE2 3.76Å; I570-F591 HydrophobicContact CD1-CG 4.29Å; I570-F591 HydrophobicContact CD1-CZ 3.88Å; L572-F591 HydrophobicContact CD1-CE1 4.25Å; L572-F591 HydrophobicContact CD2-CE1 4.34Å; L583-F591 HydrophobicContact CD2-CE1 4.06Å; L583-F591 HydrophobicContact CD2-CZ 3.64Å; V589-F591 HydrophobicContact CB-CD2 4.4Å; V589-F591 HydrophobicContact CB-CE2 4Å; V589-F591 HydrophobicContact CG1-CD2 3.85Å; V589-F591 HydrophobicContact CG1-CE2 3.62Å; V589-F591 HydrophobicContact CG1-CG 4.44Å; V589-F591 HydrophobicContact CG1-CZ 4.04Å; F591-L594 HydrophobicContact CB-CD1 3.72Å; F591-L594 HydrophobicContact CB-CD2 4.49Å; F591-L594 HydrophobicContact CB-CG 4.04Å; F591-L594 HydrophobicContact CD1-CD2 4.37Å; F591-L594 HydrophobicContact CG-CD1 4.21Å; F591-T636 HydrophobicContact CD1-CG2 4.28Å; F591-I638 HydrophobicContact CD1-CD1 3.88Å; F591-I638 HydrophobicContact CD1-CG1 3.97Å; F591-I638 HydrophobicContact CE1-CD1 3.6Å; F591-I638 HydrophobicContact CE1-CG1 4.18Å
592Y93.6Very high89.2Confident79 Ų7949.1 Ų49.131%0.3124%0.24SC..EExtended strand (participates in β ladder)trans-104.6137.3177.5-59.6-83.2000112S392 E590 T636 R637 L639S392-Y592 VanDerWaalsContact O-CA 3.24Å; S392-Y592 WeakPolarHBondContact O-CA 3.49Å; E590-Y592 HydrophobicContact CB-CE2 4.31Å; E590-Y592 HydrophobicContact CG-CE1 4.17Å; E590-Y592 HydrophobicContact CG-CE2 4.09Å; E590-Y592 WeakPolarHBondContact OE1-CE1 3.31Å; E590-Y592 PolarHBondContact OE1-OH 3.46Å; Y592-T636 VanDerWaalsContact O-CA 3.28Å; Y592-T636 WeakPolarHBondContact O-CA 3.26Å; Y592-T636 VanDerWaalsContact O-CG2 3.28Å; Y592-T636 WeakPolarHBondContact O-CG2 3.44Å; Y592-R637 HydrophobicContact CD2-CB 4.24Å; Y592-R637 PolarHBondContact N-O 2.83Å; Y592-R637 PolarHBondContact O-N 2.64Å; Y592-R637 VanDerWaalsContact O-N 3.08Å; Y592-L639 HydrophobicContact CE2-CB 3.98Å
593R92.9Very high87.9Confident119 Ų11948.1 Ų48.145%0.44924%0.235SC..EExtended strand (participates in β ladder)trans56.872.4-179.4-160.1-179-168.2157.47.5112.8E305 I390 C391 S392 T636E305-R593 IonicContact OE1-NH2 3.11Å; E305-R593 PolarHBondContact OE1-NH2 3.4Å; E305-R593 VanDerWaalsContact OE1-NH2 3.09Å; I390-R593 HydrophobicContact CG2-CG 3.8Å; C391-R593 VanDerWaalsContact O-CA 3.29Å; C391-R593 WeakPolarHBondContact O-CA 3.36Å; C391-R593 PolarHBondContact O-N 3.11Å; S392-R593 PolarHBondContact O-N 2.91Å; S392-R593 VanDerWaalsContact O-N 3.09Å; R593-T636 PolarHBondContact O-OG1 3.47Å
594L95.1Very high86Confident1 Ų149.1 Ų49.11%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-101139.4167.3-68.9177.2000110.6C391 I394 I570 F591 L630 S631 T636C391-L594 PolarHBondContact N-O 3.04Å; C391-L594 PolarHBondContact O-N 3.38Å; I394-L594 HydrophobicContact CD1-CD1 3.57Å; I394-L594 HydrophobicContact CG1-CD1 3.89Å; I570-L594 HydrophobicContact CD1-CD1 4.12Å; I570-L594 HydrophobicContact CG2-CD2 4.25Å; F591-L594 HydrophobicContact CB-CD1 3.72Å; F591-L594 HydrophobicContact CB-CD2 4.49Å; F591-L594 HydrophobicContact CB-CG 4.04Å; F591-L594 HydrophobicContact CD1-CD2 4.37Å; F591-L594 HydrophobicContact CG-CD1 4.21Å; L594-L630 HydrophobicContact CD1-CD1 4.46Å; L594-S631 CarbonylContact C-O 3.54Å; L594-S631 WeakPolarHBondContact CA-O 3.49Å; L594-S631 WeakPolarHBondContact CD2-O 3.25Å; L594-T636 HydrophobicContact CD2-CG2 3.64Å; L594-T636 HydrophobicContact CG-CG2 4.39Å
595Q94.5Very high84.3Confident121 Ų12143.8 Ų43.857%0.56522%0.219SC*.EExtended strand (participates in β ladder)trans-85.2122.5169.2171.4175.6-10.400109.5S631Q595-S631 WeakPolarHBondContact CB-OG 3.47Å; Q595-S631 PolarHBondContact N-O 2.79Å; Q595-S631 PolarHBondContact O-N 2.7Å; Q595-S631 PolarHBondContact O-OG 3.44Å; Q595-S631 VanDerWaalsContact O-OG 3.09Å
596V93.6Very high82.6Confident7 Ų742.2 Ų42.24%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-89.5145.3173.3-166.40000109.6N352 L384 S385 C391 L628 L630N352-V596 HydrophobicContact CB-CG2 4.5Å; N352-V596 WeakPolarHBondContact ND2-CB 3.32Å; N352-V596 VanDerWaalsContact ND2-CG2 3.28Å; N352-V596 WeakPolarHBondContact ND2-CG2 3.4Å; L384-V596 HydrophobicContact CB-CG1 4.36Å; L384-V596 HydrophobicContact CD1-CG2 4.29Å; S385-V596 WeakPolarHBondContact O-CG1 3.16Å; C391-V596 HydrophobicContact CB-CG2 3.94Å; V596-L628 HydrophobicContact CG1-CD1 3.77Å; V596-L628 HydrophobicContact CG1-CD2 3.95Å; V596-L628 HydrophobicContact CG1-CG 3.85Å; V596-L630 HydrophobicContact CB-CD2 4.18Å; V596-L630 HydrophobicContact CG1-CD2 3.92Å; V596-L630 HydrophobicContact CG2-CD2 3.73Å
597S89.9Confident80.6Confident35 Ų3543.5 Ų43.525%0.24522%0.221CC..EExtended strand (participates in β ladder)trans-158.2179.6-175.9660000110.9S629S597-S629 PolarHBondContact N-O 3.16Å; S597-S629 PolarHBondContact O-N 3.04Å; S597-S629 PolarHBondContact OG-O 3.05Å
598A85.3Confident78.3Confident40 Ų4044.1 Ų44.133%0.33123%0.228SC..EExtended strand (participates in β ladder)trans-119.5132.9166.900000110.8F626 V627A598-F626 HydrophobicContact CB-CB 4.36Å; A598-F626 HydrophobicContact CB-CD1 4.21Å; A598-V627 WeakPolarHBondContact CA-O 3.44Å
599T79.5Confident76.1Confident31 Ų3145.1 Ų45.119%0.1924%0.235CC..EExtended strand (participates in β ladder)trans-109170.6165.8-164.70000110D603 A606 F626 V627T599-D603 HydrophobicContact CG2-CB 4.1Å; T599-D603 PolarHBondContact OG1-OD2 3.08Å; T599-A606 HydrophobicContact CG2-CB 4.42Å; T599-F626 CarbonylContact O-C 3.57Å; T599-F626 WeakPolarHBondContact O-CA 3.16Å; T599-F626 WeakPolarHBondContact O-CB 3.48Å; T599-F626 WeakPolarHBondContact O-CD1 3.18Å; T599-V627 PolarHBondContact N-O 3Å; T599-V627 PolarHBondContact O-N 2.95Å
600R75.3Confident73.6Confident157 Ų15748.4 Ų48.459%0.59226%0.255SS*.EExtended strand (participates in β ladder)trans-75.3146.7176.8-62.2-177.2175.5-169-3110.8N602 D603 A606 G625 F626R600-N602 VanDerWaalsContact CB-OD1 3.23Å; R600-N602 WeakPolarHBondContact CB-OD1 3.43Å; R600-N602 PolarHBondContact O-N 2.97Å; R600-N602 VanDerWaalsContact O-N 3.16Å; R600-D603 WeakPolarHBondContact O-CB 3.41Å; R600-D603 PolarHBondContact O-N 3.25Å; R600-A606 WeakPolarHBondContact O-CB 3.49Å; R600-G625 CarbonylContact C-O 3.58Å; R600-G625 WeakPolarHBondContact CA-O 3.34Å; R600-F626 HydrophobicContact CG-CD1 4.4Å; R600-F626 HydrophobicContact CG-CE1 3.97Å; R600-F626 HydrophobicContact CG-CZ 4.18Å
601A69.1Low70.7Confident51 Ų5152.9 Ų52.942%0.42128%0.279SS..THydrogen-bonded Turntrans-68-9.5175.100000114.1G625 V627A601-G625 PolarHBondContact N-O 3.13Å; A601-V627 HydrophobicContact CB-CG2 3.65Å
602N64.4Low67.7Low120 Ų12059 Ų5964%0.64232%0.319SS*.THydrogen-bonded Turntrans-106.410.5170.570.4-14.6000113.8R600R600-N602 VanDerWaalsContact CB-OD1 3.23Å; R600-N602 WeakPolarHBondContact CB-OD1 3.43Å; R600-N602 PolarHBondContact O-N 2.97Å; R600-N602 VanDerWaalsContact O-N 3.16Å
603D66.3Low64.9Low38 Ų3859 Ų5920%0.20334%0.343CS..SBendtrans-56.6128.1157.3-176.8-26.8000107.4T599 R600 F605 A606T599-D603 HydrophobicContact CG2-CB 4.1Å; T599-D603 PolarHBondContact OG1-OD2 3.08Å; R600-D603 WeakPolarHBondContact O-CB 3.41Å; R600-D603 PolarHBondContact O-N 3.25Å; D603-F605 PolarHBondContact O-N 3.38Å; D603-F605 WeakPolarHBondContact OD1-CB 3.23Å; D603-F605 VanDerWaalsContact OD1-CD2 3.31Å; D603-F605 WeakPolarHBondContact OD1-CD2 3.42Å; D603-F605 PolarHBondContact OD1-N 3.17Å; D603-A606 HydrophobicContact CB-CB 4.13Å; D603-A606 WeakPolarHBondContact O-CB 3.35Å; D603-A606 PolarHBondContact O-N 3.36Å
604P55Low62.3Low21 Ų2157.6 Ų57.614%0.13634%0.34CS..THydrogen-bonded Turntrans-58.8-14.2-179.825.5-36.3000113.3W763 Q787P604-W763 HydrophobicContact CB-CE3 4.3Å; P604-W763 HydrophobicContact CB-CH2 3.84Å; P604-W763 HydrophobicContact CB-CZ2 4.11Å; P604-W763 HydrophobicContact CB-CZ3 3.95Å; P604-W763 HydrophobicContact CG-CE3 4.44Å; P604-W763 HydrophobicContact CG-CH2 3.59Å; P604-W763 HydrophobicContact CG-CZ2 4.32Å; P604-W763 HydrophobicContact CG-CZ3 3.67Å; P604-Q787 PolarHBondContact O-NE2 3.34Å
605F57.8Low59.7Low19 Ų1962.9 Ų62.98%0.08337%0.372CS..THydrogen-bonded Turntrans-107.82.9178.5-53.3-74.5000114.8Q405 R551 D603 S817 A818Q405-F605 VanDerWaalsContact NE2-CZ 3.27Å; R551-F605 VanDerWaalsContact NE-CG 3.33Å; D603-F605 PolarHBondContact O-N 3.38Å; D603-F605 WeakPolarHBondContact OD1-CB 3.23Å; D603-F605 VanDerWaalsContact OD1-CD2 3.31Å; D603-F605 WeakPolarHBondContact OD1-CD2 3.42Å; D603-F605 PolarHBondContact OD1-N 3.17Å; F605-S817 WeakPolarHBondContact CE1-OG 3.28Å; F605-S817 WeakPolarHBondContact CZ-OG 3.45Å; F605-A818 HydrophobicContact CD1-CB 4.14Å; F605-A818 HydrophobicContact CE1-CB 4.06Å
606A59.4Low57.3Low6 Ų663.6 Ų63.65%0.0537%0.374CS..SBendtrans-70.3142.3162.900000108.8T599 R600 D603 V627T599-A606 HydrophobicContact CG2-CB 4.42Å; R600-A606 WeakPolarHBondContact O-CB 3.49Å; D603-A606 HydrophobicContact CB-CB 4.13Å; D603-A606 WeakPolarHBondContact O-CB 3.35Å; D603-A606 PolarHBondContact O-N 3.36Å; A606-V627 HydrophobicContact CB-CG2 4.16Å
607S52Low54.8Low27 Ų2763.9 Ų63.919%0.18938%0.376CS..  trans-59.7133.2171.9-176.50000108.9R553 S609R553-S607 PolarHBondContact NH2-OG 3.01Å; S607-S609 PolarHBondContact O-N 3.46Å; S607-S609 PolarHBondContact OG-OG 3.33Å
608P45.3Very low52.6Low45 Ų4568.5 Ų68.529%0.29240%0.396SS..SBendtrans-61-1-178.5-27.236.4000116.1R691 Q787P608-R691 HydrophobicContact CB-CB 4.11Å; P608-R691 HydrophobicContact CG-CB 4.3Å; P608-Q787 HydrophobicContact CG-CG 4.43Å
609S46.8Very low50.7Low20 Ų2069.7 Ų69.714%0.1441%0.412CS..  trans-123.6100.7-176.161.40000113S607 G689S607-S609 PolarHBondContact O-N 3.46Å; S607-S609 PolarHBondContact OG-OG 3.33Å; S609-G689 WeakPolarHBondContact OG-CA 3.49Å
610T40.9Very low49.4Very low70 Ų7068.7 Ų68.743%0.42941%0.406SS..  trans-140.677.7148.6-52.10000107.2F614T610-F614 HydrophobicContact CG2-CB 3.91Å; T610-F614 HydrophobicContact CG2-CG 4.21Å
611L34.5Very low48.4Very low103 Ų10367.5 Ų67.554%0.53941%0.412SS..  trans-59.9146.6173.4-90.8141.1000110.2G613 F614L611-G613 PolarHBondContact O-N 3.02Å; L611-G613 VanDerWaalsContact O-N 3.15Å; L611-F614 PolarHBondContact O-N 2.89Å
612P30.8Very low48.1Very low130 Ų13066.9 Ų66.984%0.84440%0.401SS*.THydrogen-bonded Turntrans-56120.6166-19.532.1000108.9
613G34.5Very low48.1Very low79 Ų7964.6 Ų64.681%0.81439%0.392SS*.THydrogen-bonded Turntrans116.4-10.9-170.700000114.5L611 V615L611-G613 PolarHBondContact O-N 3.02Å; L611-G613 VanDerWaalsContact O-N 3.15Å; G613-V615 PolarHBondContact O-N 3.15Å
614F38.5Very low48.1Very low88 Ų8868.7 Ų68.739%0.38642%0.424SS..SBendtrans-56132.7161.9-134.8-95.7000109.1Y566 T610 L611 K616Y566-F614 AromaticContact CD2-CE1 3.84Å; Y566-F614 HydrophobicContact CD2-CE1 3.84Å; Y566-F614 HydrophobicContact CE2-CD1 4.43Å; Y566-F614 AromaticContact CE2-CE1 3.88Å; Y566-F614 HydrophobicContact CE2-CE1 3.88Å; T610-F614 HydrophobicContact CG2-CB 3.91Å; T610-F614 HydrophobicContact CG2-CG 4.21Å; L611-F614 PolarHBondContact O-N 2.89Å; F614-K616 PolarHBondContact O-N 2.94Å
615V40.7Very low48.8Very low113 Ų11370 Ų7069%0.68544%0.442SS*.  trans-60.8108.5-179.9179.20000108.3G613G613-V615 PolarHBondContact O-N 3.15Å
616K43Very low49.5Very low136 Ų13672.9 Ų72.959%0.59145%0.454SS*.  trans-55.9131.8173.9-72.2-174176.1-175.70108.1F614 I618F614-K616 PolarHBondContact O-N 2.94Å; K616-I618 PolarHBondContact O-N 2.79Å; K616-I618 VanDerWaalsContact O-N 3.11Å
617P42.7Very low50.3Low13 Ų1373.7 Ų73.78%0.08446%0.459CS..  trans-48.6124168.9-27.835.7000109L384 G619 V620L384-P617 WeakPolarHBondContact O-CB 3.49Å; P617-G619 PolarHBondContact O-N 2.91Å; P617-V620 HydrophobicContact CB-CB 4.44Å; P617-V620 HydrophobicContact CB-CG2 4.05Å; P617-V620 WeakPolarHBondContact O-CG2 3.31Å; P617-V620 PolarHBondContact O-N 3.23Å
618I43.4Very low51.8Low131 Ų13172.7 Ų72.767%0.67245%0.451SS*.THydrogen-bonded Turntrans-59.3105.2-156.3-61.7173.6000110.9K616 P1090K616-I618 PolarHBondContact O-N 2.79Å; K616-I618 VanDerWaalsContact O-N 3.11Å; I618-P1090 HydrophobicContact CD1-CG 4.39Å
619G45.7Very low53.7Low65 Ų6571 Ų7167%0.6744%0.441SS*.THydrogen-bonded Turntrans95.423.5179.600000116.8P617P617-G619 PolarHBondContact O-N 2.91Å
620V51.8Low56Low11 Ų1170.1 Ų70.17%0.06743%0.434CS..  trans-114.7133.3-179.5-172.70000113.2S385 P617 I622S385-V620 VanDerWaalsContact OG-CG1 3.26Å; S385-V620 WeakPolarHBondContact OG-CG1 3.47Å; S385-V620 WeakPolarHBondContact OG-CG2 3.1Å; P617-V620 HydrophobicContact CB-CB 4.44Å; P617-V620 HydrophobicContact CB-CG2 4.05Å; P617-V620 WeakPolarHBondContact O-CG2 3.31Å; P617-V620 PolarHBondContact O-N 3.23Å; V620-I622 HydrophobicContact CG1-CG1 3.97Å; V620-I622 PolarHBondContact O-N 2.88Å
621N54.3Low58.5Low132 Ų13267.7 Ų67.771%0.70642%0.42SS*.  trans-92.467.2174.9-89.7-22.8000112P623N621-P623 VanDerWaalsContact O-CD 3.29Å; N621-P623 WeakPolarHBondContact O-CD 3.24Å
622I63.2Low61.4Low38 Ų3863.4 Ų63.420%0.19540%0.401CS..PPolyproline II helixtrans-64.1121.7163-56.2-179.7000107.4V620 F626 L628V620-I622 HydrophobicContact CG1-CG1 3.97Å; V620-I622 PolarHBondContact O-N 2.88Å; I622-F626 HydrophobicContact CG2-CB 3.88Å; I622-F626 WeakPolarHBondContact CG2-O 3.28Å; I622-L628 HydrophobicContact CD1-CB 4.35Å; I622-L628 HydrophobicContact CD1-CD1 4.42Å
623P64.8Low64.1Low71 Ų7157.5 Ų57.546%0.46136%0.364SS..PPolyproline II helixtrans-65.3153.9-179.3-2032.6000111.9N621 G625 F626N621-P623 VanDerWaalsContact O-CD 3.29Å; N621-P623 WeakPolarHBondContact O-CD 3.24Å; P623-G625 PolarHBondContact O-N 3.31Å; P623-F626 HydrophobicContact CB-CD2 3.8Å; P623-F626 HydrophobicContact CB-CE2 4.25Å; P623-F626 HydrophobicContact CB-CG 4.49Å; P623-F626 HydrophobicContact CG-CD2 4.3Å; P623-F626 WeakPolarHBondContact O-CB 3.28Å; P623-F626 PolarHBondContact O-N 2.91Å; P623-F626 VanDerWaalsContact O-N 3.08Å
624S66.3Low66.3Low124 Ų12463.1 Ų63.187%0.86736%0.361SS*.THydrogen-bonded Turntrans-58.1133175.441.30000110.9
625G67.9Low68.6Low50 Ų5063.9 Ų63.952%0.51537%0.372SS..THydrogen-bonded Turntrans79.515.3-174.600000115.2R600 A601 P623R600-G625 CarbonylContact C-O 3.58Å; R600-G625 WeakPolarHBondContact CA-O 3.34Å; A601-G625 PolarHBondContact N-O 3.13Å; P623-G625 PolarHBondContact O-N 3.31Å
626F73.2Confident71Confident78 Ų7859 Ų5934%0.34234%0.343SS..EExtended strand (participates in β ladder)trans-118.6157.4169.8-71.6-105.5000112.1A598 T599 R600 I622 P623A598-F626 HydrophobicContact CB-CB 4.36Å; A598-F626 HydrophobicContact CB-CD1 4.21Å; T599-F626 CarbonylContact O-C 3.57Å; T599-F626 WeakPolarHBondContact O-CA 3.16Å; T599-F626 WeakPolarHBondContact O-CB 3.48Å; T599-F626 WeakPolarHBondContact O-CD1 3.18Å; R600-F626 HydrophobicContact CG-CD1 4.4Å; R600-F626 HydrophobicContact CG-CE1 3.97Å; R600-F626 HydrophobicContact CG-CZ 4.18Å; I622-F626 HydrophobicContact CG2-CB 3.88Å; I622-F626 WeakPolarHBondContact CG2-O 3.28Å; P623-F626 HydrophobicContact CB-CD2 3.8Å; P623-F626 HydrophobicContact CB-CE2 4.25Å; P623-F626 HydrophobicContact CB-CG 4.49Å; P623-F626 HydrophobicContact CG-CD2 4.3Å; P623-F626 WeakPolarHBondContact O-CB 3.28Å; P623-F626 PolarHBondContact O-N 2.91Å; P623-F626 VanDerWaalsContact O-N 3.08Å
627V75.7Confident73.3Confident23 Ų2362.1 Ų62.114%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-136.1146.7179.8-156.50000109.4A598 T599 A601 A606 S629A598-V627 WeakPolarHBondContact CA-O 3.44Å; T599-V627 PolarHBondContact N-O 3Å; T599-V627 PolarHBondContact O-N 2.95Å; A601-V627 HydrophobicContact CB-CG2 3.65Å; A606-V627 HydrophobicContact CB-CG2 4.16Å; V627-S629 PolarHBondContact O-N 2.8Å
628L84Confident75.7Confident6 Ų663 Ų633%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-65.2129.7176.8-165.1121.6000110.3L384 V596 I622 L630L384-L628 HydrophobicContact CB-CD1 4.36Å; L384-L628 HydrophobicContact CB-CD2 4.13Å; L384-L628 WeakPolarHBondContact O-CD1 3.28Å; V596-L628 HydrophobicContact CG1-CD1 3.77Å; V596-L628 HydrophobicContact CG1-CD2 3.95Å; V596-L628 HydrophobicContact CG1-CG 3.85Å; I622-L628 HydrophobicContact CD1-CB 4.35Å; I622-L628 HydrophobicContact CD1-CD1 4.42Å; L628-L630 HydrophobicContact CD2-CD2 3.94Å; L628-L630 HydrophobicContact CD2-CG 4.3Å
629S86.2Confident78Confident11 Ų1160.6 Ų60.68%0.07734%0.343CS..EExtended strand (participates in β ladder)trans-128.6126.5-178.7-170.70000110.1S597 V627S597-S629 PolarHBondContact N-O 3.16Å; S597-S629 PolarHBondContact O-N 3.04Å; S597-S629 PolarHBondContact OG-O 3.05Å; V627-S629 PolarHBondContact O-N 2.8Å
630L93.6Very high80.2Confident0 Ų059.1 Ų59.10%032%0.322CS..EExtended strand (participates in β ladder)trans-97.2141.7178.2-57.8177.1000109.9L381 L384 I394 A568 S569 I570 T571 L594 V596 L628L381-L630 HydrophobicContact CD1-CD1 3.85Å; L384-L630 HydrophobicContact CD1-CD1 4.23Å; L384-L630 HydrophobicContact CD1-CD2 3.67Å; I394-L630 HydrophobicContact CD1-CD1 3.87Å; A568-L630 HydrophobicContact CB-CD1 4.08Å; S569-L630 WeakPolarHBondContact O-CB 3.16Å; S569-L630 PolarHBondContact O-N 2.94Å; I570-L630 CarbonylContact C-O 3.54Å; I570-L630 WeakPolarHBondContact CA-O 3.3Å; I570-L630 HydrophobicContact CB-CB 4.41Å; I570-L630 HydrophobicContact CG1-CB 3.98Å; I570-L630 HydrophobicContact CG1-CD1 3.99Å; T571-L630 PolarHBondContact N-O 2.83Å; L594-L630 HydrophobicContact CD1-CD1 4.46Å; V596-L630 HydrophobicContact CB-CD2 4.18Å; V596-L630 HydrophobicContact CG1-CD2 3.92Å; V596-L630 HydrophobicContact CG2-CD2 3.73Å; L628-L630 HydrophobicContact CD2-CD2 3.94Å; L628-L630 HydrophobicContact CD2-CG 4.3Å
631S94.6Very high81.9Confident19 Ų1961 Ų6113%0.13333%0.332CS..EExtended strand (participates in β ladder)trans-138.1147.218057.50000112.6T571 L594 Q595T571-S631 VanDerWaalsContact O-CA 3.27Å; T571-S631 WeakPolarHBondContact O-CA 3.45Å; L594-S631 CarbonylContact C-O 3.54Å; L594-S631 WeakPolarHBondContact CA-O 3.49Å; L594-S631 WeakPolarHBondContact CD2-O 3.25Å; Q595-S631 WeakPolarHBondContact CB-OG 3.47Å; Q595-S631 PolarHBondContact N-O 2.79Å; Q595-S631 PolarHBondContact O-N 2.7Å; Q595-S631 PolarHBondContact O-OG 3.44Å; Q595-S631 VanDerWaalsContact O-OG 3.09Å
632G94.1Very high83.6Confident13 Ų1355.8 Ų55.813%0.13431%0.309CS..EExtended strand (participates in β ladder)trans-152.5-175.9179.500000112T571 W573 T636T571-G632 PolarHBondContact O-N 3.29Å; W573-G632 PolarHBondContact N-O 2.78Å; G632-T636 WeakPolarHBondContact CA-OG1 3.35Å
633G87.4Confident84.8Confident7 Ų757 Ų577%0.07231%0.313CS..EExtended strand (participates in β ladder)trans173.3-147.5-179.900000111.1W573 T635 T636W573-G633 VanDerWaalsContact O-CA 3.24Å; W573-G633 WeakPolarHBondContact O-CA 3.45Å; G633-T635 PolarHBondContact O-N 3.25Å; G633-T636 PolarHBondContact N-OG1 2.6Å; G633-T636 VanDerWaalsContact N-OG1 3.12Å; G633-T636 VanDerWaalsContact O-CB 3.3Å; G633-T636 WeakPolarHBondContact O-CB 3.32Å; G633-T636 PolarHBondContact O-N 2.98Å
634R81.5Confident85.8Confident197 Ų19753.7 Ų53.774%0.74329%0.292SS*.THydrogen-bonded Turntrans-56.1-13.9-175.4-62.9-179.5-178.6157.90.8116.7
635T85.9Confident86.5Confident103 Ų10350.8 Ų50.863%0.63227%0.271SS*.THydrogen-bonded Turntrans-103-8.1175.851.50000113.9G633G633-T635 PolarHBondContact O-N 3.25Å
636T92.1Very high87.2Confident12 Ų1254.4 Ų54.47%0.07428%0.279CS..  trans-81.3126.5173.3-58.20000108.3F591 Y592 R593 L594 G632 G633 I638F591-T636 HydrophobicContact CD1-CG2 4.28Å; Y592-T636 VanDerWaalsContact O-CA 3.28Å; Y592-T636 WeakPolarHBondContact O-CA 3.26Å; Y592-T636 VanDerWaalsContact O-CG2 3.28Å; Y592-T636 WeakPolarHBondContact O-CG2 3.44Å; R593-T636 PolarHBondContact O-OG1 3.47Å; L594-T636 HydrophobicContact CD2-CG2 3.64Å; L594-T636 HydrophobicContact CG-CG2 4.39Å; G632-T636 WeakPolarHBondContact CA-OG1 3.35Å; G633-T636 PolarHBondContact N-OG1 2.6Å; G633-T636 VanDerWaalsContact N-OG1 3.12Å; G633-T636 VanDerWaalsContact O-CB 3.3Å; G633-T636 WeakPolarHBondContact O-CB 3.32Å; G633-T636 PolarHBondContact O-N 2.98Å; T636-I638 HydrophobicContact CG2-CG1 4.42Å
637R91.7Very high87.1Confident200 Ų20052 Ų5276%0.75527%0.27SS*.EExtended strand (participates in β ladder)trans-97151.2171.5-68.4-175.1176.5-170.8-2.7109.9Y592Y592-R637 HydrophobicContact CD2-CB 4.24Å; Y592-R637 PolarHBondContact N-O 2.83Å; Y592-R637 PolarHBondContact O-N 2.64Å; Y592-R637 VanDerWaalsContact O-N 3.08Å
638I92.7Very high86.5Confident32 Ų3258.8 Ų58.816%0.16430%0.297CS..EExtended strand (participates in β ladder)trans-132.5134.1-174.1-58-168.4000108.1M579 L583 V589 F591 T636M579-I638 HydrophobicContact CB-CD1 4.45Å; M579-I638 HydrophobicContact CE-CD1 3.55Å; M579-I638 HydrophobicContact CE-CG1 4.34Å; M579-I638 HydrophobicContact CG-CD1 4.03Å; L583-I638 HydrophobicContact CD1-CD1 3.89Å; L583-I638 HydrophobicContact CD2-CD1 4.11Å; L583-I638 HydrophobicContact CD2-CG2 4.09Å; L583-I638 HydrophobicContact CG-CD1 4.36Å; V589-I638 HydrophobicContact CG1-CG2 3.38Å; F591-I638 HydrophobicContact CD1-CD1 3.88Å; F591-I638 HydrophobicContact CD1-CG1 3.97Å; F591-I638 HydrophobicContact CE1-CD1 3.6Å; F591-I638 HydrophobicContact CE1-CG1 4.18Å; T636-I638 HydrophobicContact CG2-CG1 4.42Å
639L92Very high85.6Confident81 Ų8162.5 Ų62.542%0.42434%0.336SS..EExtended strand (participates in β ladder)trans-124.8108.7172.917665.9000107.8V589 E590 Y592 L641V589-L639 WeakPolarHBondContact CA-O 3.33Å; E590-L639 HydrophobicContact CB-CB 4.42Å; E590-L639 PolarHBondContact N-O 3.05Å; E590-L639 PolarHBondContact O-N 3.47Å; Y592-L639 HydrophobicContact CE2-CB 3.98Å; L639-L641 HydrophobicContact CD2-CD2 3.96Å; L639-L641 HydrophobicContact CG-CD2 4.02Å
640S91.1Very high84.7Confident33 Ų3365.1 Ų65.123%0.23135%0.349CS..EExtended strand (participates in β ladder)trans-69.1140.7163.7165.10000108.8E587 G642E587-S640 PolarHBondContact OE2-OG 2.75Å; S640-G642 PolarHBondContact OG-N 3.1Å
641L88.7Confident83.3Confident52 Ų5265.4 Ų65.427%0.27235%0.351SS..EExtended strand (participates in β ladder)trans-104.9-3168.6-55.8177000111R395 V588 L639 L647 I650R395-L641 HydrophobicContact CG-CD1 4.06Å; V588-L641 HydrophobicContact CG1-CB 4.5Å; V588-L641 HydrophobicContact CG1-CD1 4.26Å; V588-L641 PolarHBondContact O-N 3.1Å; L639-L641 HydrophobicContact CD2-CD2 3.96Å; L639-L641 HydrophobicContact CG-CD2 4.02Å; L641-L647 HydrophobicContact CB-CD1 4.13Å; L641-L647 WeakPolarHBondContact O-CD2 3.19Å; L641-I650 HydrophobicContact CB-CD1 4.39Å; L641-I650 HydrophobicContact CD1-CD1 4Å
642G88.9Confident82.3Confident21 Ų2167 Ų6722%0.21636%0.362CS..EExtended strand (participates in β ladder)trans98.8176.1-176.100000114.3E587 V588 S640 L647E587-G642 WeakPolarHBondContact OE2-CA 3.28Å; V588-G642 PolarHBondContact N-O 3.46Å; S640-G642 PolarHBondContact OG-N 3.1Å; G642-L647 WeakPolarHBondContact O-CD1 3.45Å
643H89.1Confident81.2Confident64 Ų6470.1 Ų70.130%0.29638%0.379SS..EExtended strand (participates in β ladder)trans-67.3138.6-177.5-167.6-103.7000112.8G586 E587 S645 N646G586-H643 PolarHBondContact O-CD2 2.9Å; E587-H643 WeakPolarHBondContact OE1-CA 3.33Å; E587-H643 PolarHBondContact OE1-N 3.2Å; H643-S645 PolarHBondContact ND1-OG 3.37Å; H643-S645 PolarHBondContact O-N 2.96Å; H643-S645 VanDerWaalsContact O-N 3.09Å; H643-N646 PolarHBondContact O-N 3.33Å
644I84.3Confident80.6Confident2 Ų275.3 Ų75.31%0.0140%0.404CS..G310 helixtrans-56.7-31.5-171.2-167.6167.9000114.1V397 G586 V588 N646 L647 I656 Y660V397-I644 HydrophobicContact CB-CD1 4.31Å; V397-I644 HydrophobicContact CG1-CD1 4.44Å; V397-I644 HydrophobicContact CG2-CB 4.3Å; V397-I644 HydrophobicContact CG2-CD1 4.1Å; G586-I644 WeakPolarHBondContact O-CB 3.3Å; G586-I644 WeakPolarHBondContact O-CG2 3.46Å; G586-I644 PolarHBondContact O-N 3.13Å; V588-I644 HydrophobicContact CG2-CB 3.73Å; V588-I644 HydrophobicContact CG2-CD1 4.47Å; V588-I644 HydrophobicContact CG2-CG1 4Å; I644-N646 PolarHBondContact O-N 3.47Å; I644-N646 VanDerWaalsContact O-N 3.16Å; I644-L647 PolarHBondContact O-N 3.33Å; I644-I656 HydrophobicContact CD1-CG2 4.12Å; I644-I656 HydrophobicContact CG1-CG1 4.26Å; I644-I656 HydrophobicContact CG1-CG2 4.12Å; I644-I656 HydrophobicContact CG2-CG2 4.23Å; I644-Y660 HydrophobicContact CG2-CD1 3.81Å; I644-Y660 HydrophobicContact CG2-CG 4.26Å
645S81.9Confident80.6Confident62 Ų6267.6 Ų67.643%0.43438%0.378SS..G310 helixtrans-58.2-27.2176.1570000114.1H643H643-S645 PolarHBondContact ND1-OG 3.37Å; H643-S645 PolarHBondContact O-N 2.96Å; H643-S645 VanDerWaalsContact O-N 3.09Å
646N81.8Confident80.3Confident127 Ų12764.3 Ų64.368%0.67936%0.356SS*.G310 helixtrans-94.7-12.3-171.8-57.6-1.4000111.5H643 I644 K648H643-N646 PolarHBondContact O-N 3.33Å; I644-N646 PolarHBondContact O-N 3.47Å; I644-N646 VanDerWaalsContact O-N 3.16Å; N646-K648 PolarHBondContact O-N 2.97Å
647L72.8Confident79.6Confident28 Ų2867.5 Ų67.515%0.14738%0.379CS..  trans-99.848.7-165.4-70.8174.3000113.9V588 L641 G642 I644 G649 I650 V651V588-L647 HydrophobicContact CB-CD1 3.64Å; V588-L647 HydrophobicContact CG1-CD1 4.27Å; V588-L647 HydrophobicContact CG2-CD1 3.68Å; L641-L647 HydrophobicContact CB-CD1 4.13Å; L641-L647 WeakPolarHBondContact O-CD2 3.19Å; G642-L647 WeakPolarHBondContact O-CD1 3.45Å; I644-L647 PolarHBondContact O-N 3.33Å; L647-G649 PolarHBondContact O-N 3.21Å; L647-I650 HydrophobicContact CB-CB 4.35Å; L647-I650 HydrophobicContact CB-CG1 4.44Å; L647-I650 HydrophobicContact CD1-CD1 4.3Å; L647-I650 HydrophobicContact CD2-CD1 3.88Å; L647-I650 HydrophobicContact CD2-CG1 4.32Å; L647-I650 HydrophobicContact CG-CD1 4.5Å; L647-I650 PolarHBondContact O-N 3.44Å; L647-V651 PolarHBondContact O-N 2.84Å
648K62.9Low78.9Confident165 Ų16566 Ų6672%0.71737%0.373SS*.THydrogen-bonded Turntrans-53.3-20.6179.3-65.1-174.9177.6-177.70115N646N646-K648 PolarHBondContact O-N 2.97Å
649G64.4Low78.4Confident83 Ų8364.8 Ų64.886%0.85637%0.368SS*.THydrogen-bonded Turntrans-94.4-6.4176.700000115.8L647L647-G649 PolarHBondContact O-N 3.21Å
650I67.1Low78.3Confident67 Ų6762.3 Ų62.334%0.34435%0.353SS..THydrogen-bonded Turntrans-108.9-37.3179.7-52.8-170.3000111.2I557 L641 L647I557-I650 HydrophobicContact CD1-CG2 3.6Å; L641-I650 HydrophobicContact CB-CD1 4.39Å; L641-I650 HydrophobicContact CD1-CD1 4Å; L647-I650 HydrophobicContact CB-CB 4.35Å; L647-I650 HydrophobicContact CB-CG1 4.44Å; L647-I650 HydrophobicContact CD1-CD1 4.3Å; L647-I650 HydrophobicContact CD2-CD1 3.88Å; L647-I650 HydrophobicContact CD2-CG1 4.32Å; L647-I650 HydrophobicContact CG-CD1 4.5Å; L647-I650 PolarHBondContact O-N 3.44Å
651V64.7Low78Confident6 Ų663.9 Ų63.94%0.03636%0.356CS..SBendtrans-130.6131.1175.1-173.60000107.4I557 L647 N655 I656I557-V651 HydrophobicContact CB-CG2 4.08Å; I557-V651 HydrophobicContact CD1-CG2 4.12Å; I557-V651 HydrophobicContact CG2-CG2 4.42Å; L647-V651 PolarHBondContact O-N 2.84Å; V651-N655 HydrophobicContact CG1-CB 4.03Å; V651-I656 HydrophobicContact CG1-CG1 4.25Å
652S72.8Confident78Confident52 Ų5265.1 Ų65.136%0.36437%0.367SS..  trans-65.6145.1173.667.80000110D654 N655 I656S652-D654 PolarHBondContact O-N 3.43Å; S652-D654 VanDerWaalsContact O-N 3.08Å; S652-N655 PolarHBondContact O-N 2.93Å; S652-N655 PolarHBondContact OG-ND2 2.93Å; S652-I656 PolarHBondContact O-N 3.29Å
653T71.3Confident77.9Confident79 Ų7967.1 Ų67.149%0.48537%0.369SS..Hα-helixtrans-46.6-43.5-17835.40000112.8N655 I656T653-N655 PolarHBondContact O-N 3.1Å; T653-I656 WeakPolarHBondContact O-CB 3.32Å; T653-I656 PolarHBondContact O-N 3.23Å; T653-I656 VanDerWaalsContact O-N 3.1Å
654D76Confident77.8Confident115 Ų11568.5 Ų68.562%0.61538%0.381SS*.Hα-helixtrans-75.6-12-171.7-14.7-49.7000112.6S652S652-D654 PolarHBondContact O-N 3.43Å; S652-D654 VanDerWaalsContact O-N 3.08Å
655N79.7Confident78Confident36 Ų3673.3 Ų73.319%0.19340%0.402CS..Hα-helixtrans-100.3-9.9171.4-72.5-57.1000113.1I562 V651 S652 T653 S657 R658 V659I562-N655 HydrophobicContact CD1-CB 4.35Å; I562-N655 HydrophobicContact CG2-CB 4.28Å; V651-N655 HydrophobicContact CG1-CB 4.03Å; S652-N655 PolarHBondContact O-N 2.93Å; S652-N655 PolarHBondContact OG-ND2 2.93Å; T653-N655 PolarHBondContact O-N 3.1Å; N655-S657 PolarHBondContact O-N 3.27Å; N655-R658 PolarHBondContact O-N 3.4Å; N655-R658 VanDerWaalsContact O-N 3.1Å; N655-R658 WeakPolarHBondContact OD1-CD 3.04Å; N655-R658 PolarHBondContact OD1-NH1 3.45Å; N655-V659 VanDerWaalsContact O-CG2 3.31Å; N655-V659 WeakPolarHBondContact O-CG2 3.3Å; N655-V659 PolarHBondContact O-N 2.86Å
656I79.5Confident78.4Confident34 Ų3471.9 Ų71.917%0.17439%0.389CS..Hα-helixtrans-58.5-48.8180-64.1178.3000110.4I644 V651 S652 T653 R658 V659 Y660I644-I656 HydrophobicContact CD1-CG2 4.12Å; I644-I656 HydrophobicContact CG1-CG1 4.26Å; I644-I656 HydrophobicContact CG1-CG2 4.12Å; I644-I656 HydrophobicContact CG2-CG2 4.23Å; V651-I656 HydrophobicContact CG1-CG1 4.25Å; S652-I656 PolarHBondContact O-N 3.29Å; T653-I656 WeakPolarHBondContact O-CB 3.32Å; T653-I656 PolarHBondContact O-N 3.23Å; T653-I656 VanDerWaalsContact O-N 3.1Å; I656-R658 PolarHBondContact O-N 2.95Å; I656-V659 PolarHBondContact O-N 3.32Å; I656-V659 VanDerWaalsContact O-N 3.16Å; I656-Y660 PolarHBondContact O-N 3.48Å
657S78.5Confident78.8Confident79 Ų7967.2 Ų67.255%0.55237%0.367SS*.Hα-helixtrans-65.5-20.8177.953.10000114.3N655 H661N655-S657 PolarHBondContact O-N 3.27Å; S657-H661 PolarHBondContact O-CE1 3.28Å; S657-H661 VanDerWaalsContact O-CE1 3.27Å; S657-H661 PolarHBondContact O-NE2 3.01Å
658R77.7Confident79.6Confident167 Ų16765.9 Ų65.963%0.6336%0.36SS*.Hα-helixtrans-81.3-21.3175.8-69.5175.9167.4172-4.6113.1N655 I656N655-R658 PolarHBondContact O-N 3.4Å; N655-R658 VanDerWaalsContact O-N 3.1Å; N655-R658 WeakPolarHBondContact OD1-CD 3.04Å; N655-R658 PolarHBondContact OD1-NH1 3.45Å; I656-R658 PolarHBondContact O-N 2.95Å
659V82.1Confident80.8Confident7 Ų759.2 Ų59.24%0.04233%0.334CS..Hα-helixtrans-114.4-35.8-169.1-1730000112.2V397 S555 I557 I562 N655 I656V397-V659 HydrophobicContact CG1-CG1 3.75Å; S555-V659 VanDerWaalsContact CB-O 3.26Å; S555-V659 WeakPolarHBondContact CB-O 3.47Å; S555-V659 PolarHBondContact OG-O 2.85Å; I557-V659 HydrophobicContact CG2-CG1 4.21Å; I562-V659 HydrophobicContact CB-CG2 4.09Å; I562-V659 HydrophobicContact CD1-CG2 3.88Å; I562-V659 HydrophobicContact CG1-CG2 3.59Å; I562-V659 HydrophobicContact CG2-CG2 3.74Å; N655-V659 VanDerWaalsContact O-CG2 3.31Å; N655-V659 WeakPolarHBondContact O-CG2 3.3Å; N655-V659 PolarHBondContact O-N 2.86Å; I656-V659 PolarHBondContact O-N 3.32Å; I656-V659 VanDerWaalsContact O-N 3.16Å
660Y88.8Confident81.9Confident30 Ų3060 Ų6012%0.11832%0.316CS..  trans-122124.7176.8179.8-117000111.9V397 I398 E585 G586 I644 I656 P662V397-Y660 HydrophobicContact CG2-CD2 4.13Å; V397-Y660 HydrophobicContact CG2-CG 4.23Å; I398-Y660 WeakPolarHBondContact O-CE2 3.37Å; E585-Y660 HydrophobicContact CB-CE2 4.46Å; G586-Y660 VanDerWaalsContact CA-CZ 3.43Å; G586-Y660 VanDerWaalsContact N-CE2 3.34Å; G586-Y660 PolarHBondContact N-OH 3.05Å; I644-Y660 HydrophobicContact CG2-CD1 3.81Å; I644-Y660 HydrophobicContact CG2-CG 4.26Å; I656-Y660 PolarHBondContact O-N 3.48Å; Y660-P662 HydrophobicContact CE1-CB 4.3Å
661H86Confident82.9Confident65 Ų6556.9 Ų56.930%0.30130%0.299SS..  trans-117.4118.5172.6-58.870000108.3Q399 R400 S657Q399-H661 PolarHBondContact NE2-O 3.43Å; R400-H661 PolarHBondContact NH1-O 2.94Å; S657-H661 PolarHBondContact O-CE1 3.28Å; S657-H661 VanDerWaalsContact O-CE1 3.27Å; S657-H661 PolarHBondContact O-NE2 3.01Å
662P87.2Confident83.9Confident78 Ų7859 Ų5951%0.50631%0.307SS..  trans-62.6172.7177.627-34.6000112.1R400 Y660R400-P662 PolarHBondContact NH2-O 3.08Å; Y660-P662 HydrophobicContact CE1-CB 4.3Å
663R86.9Confident84.4Confident64 Ų6461.2 Ų61.224%0.24231%0.312CS..  trans-76.4140.1169.2-73.4179.8-178.8-89.65110.6R401 E585 D694 D785R401-R663 PolarHBondContact O-NH2 3.25Å; E585-R663 VanDerWaalsContact CD-NE 3.27Å; E585-R663 IonicContact OE1-CZ 3.08Å; E585-R663 VanDerWaalsContact OE1-CZ 3.28Å; E585-R663 IonicContact OE1-NE 3.04Å; E585-R663 PolarHBondContact OE1-NE 3.34Å; E585-R663 IonicContact OE1-NH2 2.79Å; E585-R663 PolarHBondContact OE1-NH2 3.11Å; E585-R663 VanDerWaalsContact OE2-CD 3.27Å; E585-R663 WeakPolarHBondContact OE2-CD 3.5Å; E585-R663 WeakPolarHBondContact OE2-CG 3.37Å; E585-R663 IonicContact OE2-NE 3.52Å; E585-R663 PolarHBondContact OE2-NE 2.93Å; R663-D694 WeakPolarHBondContact CB-OD2 3.38Å; R663-D694 WeakPolarHBondContact CD-OD2 3.49Å; R663-D694 VanDerWaalsContact CG-OD2 3.27Å; R663-D694 WeakPolarHBondContact CG-OD2 3.31Å; R663-D694 IonicContact CZ-OD2 3.93Å; R663-D694 IonicContact NE-OD2 2.64Å; R663-D694 VanDerWaalsContact NH1-CG 3.25Å; R663-D694 IonicContact NH1-OD1 3.19Å; R663-D694 PolarHBondContact NH1-OD1 2.98Å; R663-D694 IonicContact NH1-OD2 2.6Å; R663-D694 PolarHBondContact NH1-OD2 2.73Å; R663-D785 IonicContact CZ-OD1 3.92Å; R663-D785 VanDerWaalsContact CZ-OD1 3.25Å; R663-D785 IonicContact CZ-OD2 3.5Å; R663-D785 IonicContact NH1-OD1 3.93Å; R663-D785 PolarHBondContact NH1-OD1 2.99Å; R663-D785 IonicContact NH1-OD2 3.72Å; R663-D785 IonicContact NH2-OD1 3.71Å; R663-D785 PolarHBondContact NH2-OD1 3.17Å; R663-D785 IonicContact NH2-OD2 2.83Å; R663-D785 PolarHBondContact NH2-OD2 2.98Å; R663-D785 VanDerWaalsContact NH2-OD2 3.16Å
664V87.9Confident84.8Confident93 Ų9360.3 Ų60.356%0.56431%0.306SS*.  trans-131.4123.8170.8-1760000105.9L666V664-L666 HydrophobicContact CB-CD2 4.45Å; V664-L666 HydrophobicContact CG1-CD2 3.82Å
665K88.8Confident84.8Confident103 Ų10355.9 Ų55.945%0.44828%0.282SS..EExtended strand (participates in β ladder)trans-77.7122.3169.8-67.6-177-178.9179.60107.8D694 C782 E824K665-D694 WeakPolarHBondContact CA-O 3.46Å; K665-C782 HydrophobicContact CD-CB 4.43Å; K665-C782 PolarHBondContact NZ-SG 3.41Å; K665-E824 IonicContact NZ-OE1 3.6Å
666L89.5Confident84.8Confident31 Ų3156.4 Ų56.416%0.16229%0.285CS..EExtended strand (participates in β ladder)trans-99.5149.5178.1-58.4-178.4000111.1V664 E670 A671 I693 D694 L695 C696V664-L666 HydrophobicContact CB-CD2 4.45Å; V664-L666 HydrophobicContact CG1-CD2 3.82Å; L666-E670 WeakPolarHBondContact CA-OE2 3.45Å; L666-E670 HydrophobicContact CB-CB 4.05Å; L666-E670 HydrophobicContact CD2-CB 4.19Å; L666-A671 HydrophobicContact CB-CB 4.3Å; L666-A671 HydrophobicContact CD1-CB 4.29Å; L666-I693 HydrophobicContact CD1-CG2 4.29Å; L666-D694 PolarHBondContact N-O 3.3Å; L666-L695 WeakPolarHBondContact O-CA 3.36Å; L666-C696 PolarHBondContact O-N 2.9Å
667S90.4Very high84.5Confident29 Ų2960.9 Ų60.920%0.20331%0.305CS..PPolyproline II helixtrans-66.9167.6158.2114.30000110.7S669 E670 A671 D748S667-S669 VanDerWaalsContact C-N 3.35Å; S667-S669 PolarHBondContact OG-N 2.89Å; S667-S669 VanDerWaalsContact OG-N 3.11Å; S667-E670 PolarHBondContact N-OE2 2.93Å; S667-E670 PolarHBondContact O-N 3.03Å; S667-E670 PolarHBondContact OG-N 2.9Å; S667-E670 VanDerWaalsContact OG-N 3.1Å; S667-A671 WeakPolarHBondContact O-CB 3.43Å; S667-A671 PolarHBondContact O-N 3.47Å; S667-D748 WeakPolarHBondContact CB-OD1 3.31Å; S667-D748 PolarHBondContact OG-OD1 3.1Å
668V89.2Confident83.8Confident0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-64.3-42174.3-1750000110.6Y672 L695 C697 V747 D748 C756 I811V668-Y672 PolarHBondContact O-N 2.65Å; V668-Y672 VanDerWaalsContact O-N 3.1Å; V668-L695 HydrophobicContact CG2-CD1 4.17Å; V668-L695 HydrophobicContact CG2-CD2 4.4Å; V668-C697 HydrophobicContact CG2-CB 3.81Å; V668-V747 VanDerWaalsContact CG2-C 3.5Å; V668-D748 WeakPolarHBondContact CA-OD1 3.21Å; V668-D748 PolarHBondContact N-OD1 3.13Å; V668-C756 HydrophobicContact CB-CB 4.49Å; V668-C756 HydrophobicContact CG1-CB 3.85Å; V668-I811 HydrophobicContact CG1-CD1 4.16Å; V668-I811 WeakPolarHBondContact O-CD1 3.42Å
669S88.6Confident83.1Confident26 Ų2657.2 Ų57.218%0.18229%0.29CS..Hα-helixtrans-65-43172.7-67.30000113.5S667 A671 Y672 Q673 D748 T755S667-S669 VanDerWaalsContact C-N 3.35Å; S667-S669 PolarHBondContact OG-N 2.89Å; S667-S669 VanDerWaalsContact OG-N 3.11Å; S669-A671 VanDerWaalsContact C-N 3.34Å; S669-A671 PolarHBondContact O-N 2.77Å; S669-Y672 PolarHBondContact O-N 2.98Å; S669-Q673 WeakPolarHBondContact O-CG 3.48Å; S669-Q673 PolarHBondContact O-N 3.46Å; S669-D748 WeakPolarHBondContact CB-OD2 3.44Å; S669-D748 PolarHBondContact N-OD1 2.94Å; S669-D748 PolarHBondContact OG-OD2 3.36Å; S669-T755 VanDerWaalsContact OG-CB 3.24Å; S669-T755 WeakPolarHBondContact OG-CB 3.28Å; S669-T755 PolarHBondContact OG-OG1 2.89Å
670E88.3Confident81.9Confident100 Ų10064 Ų6447%0.46732%0.321SS..Hα-helixtrans-63.6-40.1177.7-67.9173.715900111.8L666 S667 Q673 T674L666-E670 WeakPolarHBondContact CA-OE2 3.45Å; L666-E670 HydrophobicContact CB-CB 4.05Å; L666-E670 HydrophobicContact CD2-CB 4.19Å; S667-E670 PolarHBondContact N-OE2 2.93Å; S667-E670 PolarHBondContact O-N 3.03Å; S667-E670 PolarHBondContact OG-N 2.9Å; S667-E670 VanDerWaalsContact OG-N 3.1Å; E670-Q673 PolarHBondContact O-N 2.97Å; E670-T674 WeakPolarHBondContact O-CB 3.47Å; E670-T674 PolarHBondContact O-N 2.91Å; E670-T674 PolarHBondContact O-OG1 3.3Å
671A86.2Confident80.1Confident0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-60.2-44172.300000111.7L666 S667 S669 T674 I675 I693 L695 I811L666-A671 HydrophobicContact CB-CB 4.3Å; L666-A671 HydrophobicContact CD1-CB 4.29Å; S667-A671 WeakPolarHBondContact O-CB 3.43Å; S667-A671 PolarHBondContact O-N 3.47Å; S669-A671 VanDerWaalsContact C-N 3.34Å; S669-A671 PolarHBondContact O-N 2.77Å; A671-T674 PolarHBondContact O-N 2.65Å; A671-I675 WeakPolarHBondContact O-CD1 3.23Å; A671-I675 VanDerWaalsContact O-CG1 3.22Å; A671-I675 WeakPolarHBondContact O-CG1 3.26Å; A671-I675 PolarHBondContact O-N 2.99Å; A671-I675 VanDerWaalsContact O-N 3.15Å; A671-I693 HydrophobicContact CB-CD1 4.44Å; A671-I693 HydrophobicContact CB-CG2 4.29Å; A671-L695 HydrophobicContact CB-CD1 4.21Å; A671-I811 HydrophobicContact CB-CD1 3.94Å
672Y85.9Confident77.8Confident51 Ų5166.2 Ų66.220%0.235%0.348CS..Hα-helixtrans-62-45.4176.5-176.6-123.5000112.7V668 S669 T674 I675 I676 C756 C791 P809V668-Y672 PolarHBondContact O-N 2.65Å; V668-Y672 VanDerWaalsContact O-N 3.1Å; S669-Y672 PolarHBondContact O-N 2.98Å; Y672-T674 VanDerWaalsContact C-N 3.35Å; Y672-T674 PolarHBondContact O-N 2.69Å; Y672-I675 PolarHBondContact O-N 3.46Å; Y672-I676 HydrophobicContact CD1-CD1 3.88Å; Y672-I676 HydrophobicContact CD2-CD1 4.39Å; Y672-I676 HydrophobicContact CE1-CD1 3.49Å; Y672-I676 VanDerWaalsContact CE1-CD1 3.49Å; Y672-I676 HydrophobicContact CE2-CD1 4.02Å; Y672-I676 HydrophobicContact CE2-CG1 4.36Å; Y672-I676 HydrophobicContact CG-CD1 4.32Å; Y672-I676 PolarHBondContact O-N 2.89Å; Y672-I676 VanDerWaalsContact O-N 3.14Å; Y672-C756 WeakPolarHBondContact CD1-SG 3.4Å; Y672-C791 VanDerWaalsContact CE2-SG 3.58Å; Y672-P809 HydrophobicContact CD1-CB 4Å; Y672-P809 HydrophobicContact CD1-CG 3.85Å; Y672-P809 HydrophobicContact CD2-CB 3.95Å; Y672-P809 HydrophobicContact CE1-CB 3.74Å; Y672-P809 HydrophobicContact CE1-CG 3.32Å; Y672-P809 HydrophobicContact CE2-CB 3.7Å; Y672-P809 HydrophobicContact CE2-CG 4.18Å; Y672-P809 HydrophobicContact CG-CB 4.09Å; Y672-P809 HydrophobicContact CG-CG 4.44Å
673Q84.2Confident75.5Confident99 Ų9969.4 Ų69.446%0.46337%0.366SS..Hα-helixtrans-63.9-39.5178.2-66.8-62-22.500112.3S669 E670 I675 I676 Q677S669-Q673 WeakPolarHBondContact O-CG 3.48Å; S669-Q673 PolarHBondContact O-N 3.46Å; E670-Q673 PolarHBondContact O-N 2.97Å; Q673-I675 VanDerWaalsContact C-N 3.32Å; Q673-I675 PolarHBondContact O-N 2.86Å; Q673-I676 PolarHBondContact O-N 3.25Å; Q673-Q677 WeakPolarHBondContact O-CG 3.4Å; Q673-Q677 PolarHBondContact O-N 3.39Å
674T79.9Confident73Confident60 Ų6069.3 Ų69.337%0.36838%0.375SS..Hα-helixtrans-60.1-42.7176.2-52.90000111.2E670 A671 Y672 Q677 E678E670-T674 WeakPolarHBondContact O-CB 3.47Å; E670-T674 PolarHBondContact O-N 2.91Å; E670-T674 PolarHBondContact O-OG1 3.3Å; A671-T674 PolarHBondContact O-N 2.65Å; Y672-T674 VanDerWaalsContact C-N 3.35Å; Y672-T674 PolarHBondContact O-N 2.69Å; T674-Q677 PolarHBondContact O-N 3.26Å; T674-E678 PolarHBondContact O-N 3.5Å; T674-E678 VanDerWaalsContact O-N 3.08Å
675I76.4Confident70.5Confident22 Ų2270.2 Ų70.211%0.11339%0.385CS..Hα-helixtrans-62.8-44.9177.9-65.7161.9000111.3A671 Y672 Q673 Q677 E678 D679 I693 L788 I811A671-I675 WeakPolarHBondContact O-CD1 3.23Å; A671-I675 VanDerWaalsContact O-CG1 3.22Å; A671-I675 WeakPolarHBondContact O-CG1 3.26Å; A671-I675 PolarHBondContact O-N 2.99Å; A671-I675 VanDerWaalsContact O-N 3.15Å; Y672-I675 PolarHBondContact O-N 3.46Å; Q673-I675 VanDerWaalsContact C-N 3.32Å; Q673-I675 PolarHBondContact O-N 2.86Å; I675-Q677 VanDerWaalsContact C-N 3.31Å; I675-Q677 PolarHBondContact O-N 3.21Å; I675-E678 PolarHBondContact O-N 2.75Å; I675-D679 PolarHBondContact O-N 3.31Å; I675-D679 VanDerWaalsContact O-N 3.15Å; I675-I693 HydrophobicContact CD1-CD1 4.42Å; I675-L788 HydrophobicContact CD1-CD1 3.71Å; I675-L788 HydrophobicContact CD1-CD2 3.55Å; I675-L788 HydrophobicContact CD1-CG 4.28Å; I675-L788 HydrophobicContact CG1-CD2 3.6Å; I675-L788 HydrophobicContact CG2-CD2 4.43Å; I675-I811 HydrophobicContact CD1-CD1 4.48Å; I675-I811 HydrophobicContact CD1-CG2 4.11Å
676I78.5Confident68Low47 Ų4769.4 Ų69.424%0.24139%0.386CS..Hα-helixtrans-61.5-40.7177.7-67.8165.7000111.1Y672 Q673 D679 Q680Y672-I676 HydrophobicContact CD1-CD1 3.88Å; Y672-I676 HydrophobicContact CD2-CD1 4.39Å; Y672-I676 HydrophobicContact CE1-CD1 3.49Å; Y672-I676 VanDerWaalsContact CE1-CD1 3.49Å; Y672-I676 HydrophobicContact CE2-CD1 4.02Å; Y672-I676 HydrophobicContact CE2-CG1 4.36Å; Y672-I676 HydrophobicContact CG-CD1 4.32Å; Y672-I676 PolarHBondContact O-N 2.89Å; Y672-I676 VanDerWaalsContact O-N 3.14Å; Q673-I676 PolarHBondContact O-N 3.25Å; I676-D679 PolarHBondContact O-N 3.48Å; I676-Q680 HydrophobicContact CG2-CG 4.35Å; I676-Q680 VanDerWaalsContact CG2-NE2 3.34Å; I676-Q680 WeakPolarHBondContact O-CG 3.21Å; I676-Q680 PolarHBondContact O-N 2.74Å
677Q72.7Confident65.5Low127 Ų12771.7 Ų71.759%0.59340%0.398SS*.Hα-helixtrans-67.5-36.4179.4-70.4177.912.700112.5Q673 T674 I675 S681Q673-Q677 WeakPolarHBondContact O-CG 3.4Å; Q673-Q677 PolarHBondContact O-N 3.39Å; T674-Q677 PolarHBondContact O-N 3.26Å; I675-Q677 VanDerWaalsContact C-N 3.31Å; I675-Q677 PolarHBondContact O-N 3.21Å; Q677-S681 VanDerWaalsContact O-CB 3.3Å; Q677-S681 WeakPolarHBondContact O-CB 3.35Å; Q677-S681 PolarHBondContact O-N 3.44Å; Q677-S681 PolarHBondContact O-OG 2.98Å
678E65.5Low63.2Low61 Ų6175.7 Ų75.729%0.28541%0.409SS..Hα-helixtrans-65.6-40.7173.1-74.9-162.5167.200112.9T674 I675T674-E678 PolarHBondContact O-N 3.5Å; T674-E678 VanDerWaalsContact O-N 3.08Å; I675-E678 PolarHBondContact O-N 2.75Å
679D62.9Low61Low109 Ų10976.4 Ų76.458%0.58342%0.416SS*.Hα-helixtrans-71-35178.4-88.5-30000112.3I675 I676I675-D679 PolarHBondContact O-N 3.31Å; I675-D679 VanDerWaalsContact O-N 3.15Å; I676-D679 PolarHBondContact O-N 3.48Å
680Q55.5Low59.2Low150 Ų15077.7 Ų77.770%0.70142%0.421SS*.Hα-helixtrans-75-37.8177.7-70.8-176.414.800113.6I676 S682I676-Q680 HydrophobicContact CG2-CG 4.35Å; I676-Q680 VanDerWaalsContact CG2-NE2 3.34Å; I676-Q680 WeakPolarHBondContact O-CG 3.21Å; I676-Q680 PolarHBondContact O-N 2.74Å; Q680-S682 PolarHBondContact O-N 2.73Å
681S52Low58.2Low64 Ų6477.9 Ų77.945%0.44842%0.417SS..  trans-76.233.3-177.458.40000114.6Q677 T683 S684Q677-S681 VanDerWaalsContact O-CB 3.3Å; Q677-S681 WeakPolarHBondContact O-CB 3.35Å; Q677-S681 PolarHBondContact O-N 3.44Å; Q677-S681 PolarHBondContact O-OG 2.98Å; S681-T683 PolarHBondContact O-N 2.72Å; S681-S684 PolarHBondContact O-N 3.19Å
682S36.9Very low57.9Low76 Ų7679 Ų7953%0.53142%0.423SS..THydrogen-bonded Turntrans-61.3-4.3-166.959.60000117.4Q680 S684Q680-S682 PolarHBondContact O-N 2.73Å; S682-S684 VanDerWaalsContact C-N 3.34Å
683T38.3Very low57.9Low146 Ų14677.4 Ų77.490%0.89642%0.417SS*.THydrogen-bonded Turntrans-78.3-12.8176540000113.9S681S681-T683 PolarHBondContact O-N 2.72Å
684S34.3Very low58.2Low61 Ų6173.2 Ų73.243%0.42740%0.398SS..  trans-109.9115.8172.2790000111.8S681 S682 L686S681-S684 PolarHBondContact O-N 3.19Å; S682-S684 VanDerWaalsContact C-N 3.34Å; S684-L686 PolarHBondContact O-N 3.04Å
685S37Very low58.8Low112 Ų11270.3 Ų70.378%0.78338%0.38SS*.THydrogen-bonded Turntrans-76.7-2.6-18052.10000114.1
686L35.4Very low59.6Low86 Ų8670.1 Ų70.145%0.4538%0.381SS..THydrogen-bonded Turntrans-80.2-30.7-164.3-135.872.8000114.5S684S684-L686 PolarHBondContact O-N 3.04Å
687N38.2Very low60.2Low79 Ų7967.9 Ų67.942%0.42237%0.369SS..  trans-107.70.3-164.9-927.7000117.1G689N687-G689 PolarHBondContact O-N 3.29Å
688R42.2Very low61.1Low114 Ų11462.3 Ų62.343%0.4334%0.343SS..THydrogen-bonded Turntrans-65.722.2178.5-65.6-170.6174.9-154.8-6.6115.4
689G41.5Very low62.3Low15 Ų1559.4 Ų59.416%0.15533%0.33CS..THydrogen-bonded Turntrans-113.5-11.6-171.200000117.3R553 S609 N687 R691R553-G689 PolarHBondContact NH1-O 3Å; S609-G689 WeakPolarHBondContact OG-CA 3.49Å; N687-G689 PolarHBondContact O-N 3.29Å; G689-R691 PolarHBondContact O-N 3.45Å
690N51.2Low63.5Low52 Ų5254.3 Ų54.328%0.27830%0.302SS..  trans-97.955.2-179.9-76.3-22000112.6R553 E692R553-N690 PolarHBondContact NH1-OD1 3.23Å; R553-N690 VanDerWaalsContact NH1-OD1 3.09Å; N690-E692 PolarHBondContact O-N 3.25Å
691R67.3Low65Low105 Ų10547.1 Ų47.140%0.39627%0.269SS..  trans-68.421.3165.1-66-173.3173.8-137.2-0.2113.7P608 G689 Q787 L788P608-R691 HydrophobicContact CB-CB 4.11Å; P608-R691 HydrophobicContact CG-CB 4.3Å; G689-R691 PolarHBondContact O-N 3.45Å; R691-Q787 CarbonylContact O-C 3.5Å; R691-Q787 WeakPolarHBondContact O-CA 3.27Å; R691-L788 HydrophobicContact CB-CB 4.17Å; R691-L788 PolarHBondContact O-N 2.9Å
692E79.7Confident66.7Low24 Ų2444.1 Ų44.111%0.11225%0.248CC..EExtended strand (participates in β ladder)trans-114.2112.6177.9-79.8171.8-165.400108.4Y402 R553 N690 L786 Q787Y402-E692 VanDerWaalsContact OH-CD 3.28Å; Y402-E692 PolarHBondContact OH-OE1 3.4Å; Y402-E692 PolarHBondContact OH-OE2 3.44Å; R553-E692 IonicContact CZ-OE1 3.25Å; R553-E692 IonicContact CZ-OE2 2.93Å; R553-E692 IonicContact NE-OE1 3.77Å; R553-E692 IonicContact NE-OE2 2.77Å; R553-E692 PolarHBondContact NE-OE2 3.4Å; R553-E692 IonicContact NH2-OE1 3.36Å; R553-E692 PolarHBondContact NH2-OE1 2.93Å; R553-E692 IonicContact NH2-OE2 3.32Å; R553-E692 PolarHBondContact NH2-OE2 3Å; N690-E692 PolarHBondContact O-N 3.25Å; E692-L786 WeakPolarHBondContact CA-O 3.3Å; E692-Q787 HydrophobicContact CG-CG 4.44Å
693I86.7Confident68.8Low16 Ų1643.2 Ų43.28%0.08223%0.233CC..EExtended strand (participates in β ladder)trans-115.9133.7-172.1-59.8175.5000109L666 A671 I675 L786 L788 L813L666-I693 HydrophobicContact CD1-CG2 4.29Å; A671-I693 HydrophobicContact CB-CD1 4.44Å; A671-I693 HydrophobicContact CB-CG2 4.29Å; I675-I693 HydrophobicContact CD1-CD1 4.42Å; I693-L786 PolarHBondContact N-O 2.84Å; I693-L786 WeakPolarHBondContact O-CB 3.26Å; I693-L786 PolarHBondContact O-N 3.45Å; I693-L788 HydrophobicContact CD1-CB 4.21Å; I693-L788 HydrophobicContact CD1-CD2 4.45Å; I693-L813 HydrophobicContact CD1-CD2 4.3Å
694D90.7Very high70.5Confident11 Ų1137.8 Ų37.86%0.05920%0.197CC..EExtended strand (participates in β ladder)trans-94121.7165-63.2-23.8000107.7R663 K665 L666 F783 N784 D785R663-D694 WeakPolarHBondContact CB-OD2 3.38Å; R663-D694 WeakPolarHBondContact CD-OD2 3.49Å; R663-D694 VanDerWaalsContact CG-OD2 3.27Å; R663-D694 WeakPolarHBondContact CG-OD2 3.31Å; R663-D694 IonicContact CZ-OD2 3.93Å; R663-D694 IonicContact NE-OD2 2.64Å; R663-D694 VanDerWaalsContact NH1-CG 3.25Å; R663-D694 IonicContact NH1-OD1 3.19Å; R663-D694 PolarHBondContact NH1-OD1 2.98Å; R663-D694 IonicContact NH1-OD2 2.6Å; R663-D694 PolarHBondContact NH1-OD2 2.73Å; K665-D694 WeakPolarHBondContact CA-O 3.46Å; L666-D694 PolarHBondContact N-O 3.3Å; D694-F783 CarbonylContact C-O 3.52Å; D694-F783 WeakPolarHBondContact CA-O 3.43Å; D694-N784 WeakPolarHBondContact OD1-CA 3.26Å; D694-D785 PolarHBondContact OD1-N 2.79Å
695L92.1Very high72Confident0 Ų036.8 Ų36.80%019%0.189CC..EExtended strand (participates in β ladder)trans-120.9131.9-168.7-171.278.4000110.9L666 V668 A671 C697 I760 C782 F783 L786 L813L666-L695 WeakPolarHBondContact O-CA 3.36Å; V668-L695 HydrophobicContact CG2-CD1 4.17Å; V668-L695 HydrophobicContact CG2-CD2 4.4Å; A671-L695 HydrophobicContact CB-CD1 4.21Å; L695-C697 HydrophobicContact CD2-CB 4.09Å; L695-C697 HydrophobicContact CG-CB 4.25Å; L695-I760 HydrophobicContact CD2-CD1 4.17Å; L695-C782 WeakPolarHBondContact O-CA 3.42Å; L695-F783 PolarHBondContact N-O 3.18Å; L695-F783 PolarHBondContact O-N 2.87Å; L695-L786 HydrophobicContact CB-CD1 4.01Å; L695-L786 HydrophobicContact CD2-CD1 4.15Å; L695-L813 HydrophobicContact CD2-CD1 3.83Å
696C92.5Very high72.7Confident18 Ų1835.4 Ų35.412%0.12218%0.178CC..EExtended strand (participates in β ladder)trans-109.9120.9166.3-164.10000110.2L666 L781L666-C696 PolarHBondContact O-N 2.9Å; C696-L781 WeakPolarHBondContact CA-O 3.35Å
697C91.9Very high73.1Confident0 Ų037.3 Ų37.30%019%0.185CC..EExtended strand (participates in β ladder)trans-150.8155.6-170.559.80000113.6V668 L695 A746 V747 V780 L781V668-C697 HydrophobicContact CG2-CB 3.81Å; L695-C697 HydrophobicContact CD2-CB 4.09Å; L695-C697 HydrophobicContact CG-CB 4.25Å; C697-A746 HydrophobicContact CB-CB 3.76Å; C697-A746 WeakPolarHBondContact SG-CB 3.34Å; C697-V747 CarbonylContact C-O 3.5Å; C697-V747 VanDerWaalsContact CA-O 3.3Å; C697-V747 WeakPolarHBondContact CA-O 3.27Å; C697-V747 VanDerWaalsContact CB-O 3.29Å; C697-V747 WeakPolarHBondContact CB-O 3.37Å; C697-V780 WeakPolarHBondContact O-CA 3.28Å; C697-L781 PolarHBondContact N-O 3.24Å; C697-L781 PolarHBondContact O-N 2.92Å
698L90.8Very high73Confident9 Ų941.9 Ų41.95%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-91.7128.7173174.665.4000109.7I700 A746 V747 V780 S840 V845L698-I700 HydrophobicContact CG-CG2 4.45Å; L698-A746 WeakPolarHBondContact O-CA 3.4Å; L698-A746 WeakPolarHBondContact O-CB 3.4Å; L698-V747 HydrophobicContact CB-CG2 4.16Å; L698-V747 HydrophobicContact CD2-CG2 4.36Å; L698-V747 PolarHBondContact N-O 3.47Å; L698-V747 PolarHBondContact O-N 3Å; L698-V780 HydrophobicContact CD1-CG2 4.24Å; L698-S840 VanDerWaalsContact CD2-OG 3.3Å; L698-S840 WeakPolarHBondContact CD2-OG 3.47Å; L698-V845 HydrophobicContact CD2-CG2 4.21Å
699I90.3Very high72.5Confident1 Ų140.7 Ų40.71%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-81.8122.9178.8-55-41.4000111I702 V744 A746 G778 R779 L781 F783I699-I702 HydrophobicContact CG2-CD1 4.35Å; I699-I702 HydrophobicContact CG2-CG1 3.98Å; I699-V744 HydrophobicContact CB-CG1 4.4Å; I699-V744 HydrophobicContact CD1-CG1 3.53Å; I699-V744 HydrophobicContact CG1-CG1 4.1Å; I699-V744 HydrophobicContact CG2-CG1 3.6Å; I699-A746 HydrophobicContact CD1-CB 3.7Å; I699-G778 PolarHBondContact O-N 2.93Å; I699-R779 PolarHBondContact N-O 2.86Å; I699-L781 HydrophobicContact CD1-CD1 3.94Å; I699-L781 HydrophobicContact CD1-CG 4.46Å; I699-L781 HydrophobicContact CG1-CD1 3.56Å; I699-L781 HydrophobicContact CG1-CG 4.05Å; I699-F783 HydrophobicContact CD1-CE2 4.09Å; I699-F783 HydrophobicContact CD1-CZ 4.41Å
700I89.4Confident72Confident1 Ų147 Ų471%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-111.1-28.8-176.260.4159.3000114.3L698 Y745 V747 L757 V845 L848 Q849 L852L698-I700 HydrophobicContact CG-CG2 4.45Å; I700-Y745 WeakPolarHBondContact CG1-O 3.29Å; I700-Y745 PolarHBondContact N-O 3.1Å; I700-V747 HydrophobicContact CD1-CG1 3.67Å; I700-V747 HydrophobicContact CG1-CG1 4.22Å; I700-V747 HydrophobicContact CG2-CG1 4.34Å; I700-V747 HydrophobicContact CG2-CG2 3.63Å; I700-L757 HydrophobicContact CD1-CD2 4.43Å; I700-V845 HydrophobicContact CB-CG1 4.44Å; I700-V845 HydrophobicContact CG2-CG1 3.78Å; I700-L848 HydrophobicContact CD1-CB 4.28Å; I700-Q849 HydrophobicContact CB-CG 4.14Å; I700-Q849 HydrophobicContact CD1-CG 4.46Å; I700-Q849 PolarHBondContact O-NE2 3.04Å; I700-L852 HydrophobicContact CD1-CD1 3.84Å; I700-L852 HydrophobicContact CG1-CD1 4.38Å
701A87.3Confident71Confident0 Ų052.7 Ų52.70%027%0.268CS..EExtended strand (participates in β ladder)trans-151.3151.7175.100000110.9Y745 L852 Q867 I868A701-Y745 HydrophobicContact CB-CD2 4.34Å; A701-Y745 PolarHBondContact N-O 2.61Å; A701-Y745 PolarHBondContact O-N 3.42Å; A701-L852 HydrophobicContact CB-CD1 4.16Å; A701-Q867 WeakPolarHBondContact CA-O 3.47Å; A701-I868 HydrophobicContact CB-CD1 4.46Å; A701-I868 HydrophobicContact CB-CG1 4.02Å
702I86.3Confident69.3Low1 Ų152.2 Ų52.21%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-127.5136.3178.7-53.2177.2000108.7I699 H704 V741 M772 V775 I777 Q867I699-I702 HydrophobicContact CG2-CD1 4.35Å; I699-I702 HydrophobicContact CG2-CG1 3.98Å; I702-H704 VanDerWaalsContact CG2-CE1 3.41Å; I702-H704 WeakPolarHBondContact CG2-CE1 3.19Å; I702-H704 WeakPolarHBondContact CG2-NE2 3.42Å; I702-V741 HydrophobicContact CG2-CB 4.18Å; I702-V741 HydrophobicContact CG2-CG1 3.56Å; I702-V741 HydrophobicContact CG2-CG2 3.7Å; I702-M772 HydrophobicContact CD1-CE 4.12Å; I702-V775 HydrophobicContact CD1-CG1 4.11Å; I702-I777 HydrophobicContact CD1-CG1 3.89Å; I702-I777 HydrophobicContact CG1-CG1 3.86Å; I702-Q867 PolarHBondContact N-O 3.16Å; I702-Q867 PolarHBondContact O-N 2.9Å; I702-Q867 VanDerWaalsContact O-N 3.07Å
703Y81.9Confident66.8Low56 Ų5656.9 Ų56.922%0.2232%0.316CS..EExtended strand (participates in β ladder)trans-117.2137.1176.7175.9-112000111.4D742 C743 I864 L866Y703-D742 HydrophobicContact CD1-CB 4.12Å; Y703-D742 HydrophobicContact CE1-CB 4.33Å; Y703-D742 PolarHBondContact O-N 3.23Å; Y703-C743 HydrophobicContact CD1-CB 4.24Å; Y703-C743 PolarHBondContact N-O 2.82Å; Y703-C743 PolarHBondContact O-N 2.86Å; Y703-I864 HydrophobicContact CD2-CG2 3.49Å; Y703-I864 VanDerWaalsContact CD2-CG2 3.49Å; Y703-I864 HydrophobicContact CE2-CG2 3.28Å; Y703-L866 HydrophobicContact CD2-CD2 4.18Å; Y703-L866 HydrophobicContact CG-CD2 4.46Å
704H74.5Confident64.1Low32 Ų3264.1 Ų64.115%0.14835%0.347CS..  trans-130.1134.7-177.9-45.6-88.4000107.6I702 D740I702-H704 VanDerWaalsContact CG2-CE1 3.41Å; I702-H704 WeakPolarHBondContact CG2-CE1 3.19Å; I702-H704 WeakPolarHBondContact CG2-NE2 3.42Å; H704-D740 PolarHBondContact ND1-O 2.94Å
705T64.6Low61.1Low40 Ų4069.5 Ų69.525%0.24539%0.385CS..  trans-68.7128.8162.628.50000108.6M707 K735 D742T705-M707 PolarHBondContact O-N 3.37Å; T705-M707 VanDerWaalsContact O-N 3.09Å; T705-K735 PolarHBondContact OG1-NZ 3.34Å; T705-D742 WeakPolarHBondContact CA-OD2 3.42Å; T705-D742 WeakPolarHBondContact CB-OD2 3.29Å; T705-D742 VanDerWaalsContact CG2-OD2 3.23Å; T705-D742 WeakPolarHBondContact CG2-OD2 3.41Å; T705-D742 PolarHBondContact N-OD2 3.26Å; T705-D742 PolarHBondContact OG1-OD2 3.46Å
706P52.6Low58Low84 Ų8479 Ų7955%0.54542%0.423SS..  trans-60.6119.917724.2-33000109.1H708P706-H708 PolarHBondContact O-N 3.5Å; P706-H708 VanDerWaalsContact O-N 3.13Å
707M42.3Very low55Low125 Ų12583.4 Ų83.462%0.61645%0.451SS*.  trans-63.2114.7167.2-77.5-70.1164.200107.3T705 S709T705-M707 PolarHBondContact O-N 3.37Å; T705-M707 VanDerWaalsContact O-N 3.09Å; M707-S709 VanDerWaalsContact C-N 3.27Å; M707-S709 PolarHBondContact O-N 2.92Å
708H37Very low52.1Low176 Ų17689.7 Ų89.782%0.81549%0.492SS*.  trans-62.590.4174.9-90.4-78.2000109.8P706 N710P706-H708 PolarHBondContact O-N 3.5Å; P706-H708 VanDerWaalsContact O-N 3.13Å; H708-N710 PolarHBondContact O-N 3.47Å; H708-N710 VanDerWaalsContact O-N 3.08Å
709S31.6Very low49.1Very low88 Ų8896.7 Ų96.762%0.61553%0.529SS*.  trans-62.1108.1160530000107.2M707 Q711M707-S709 VanDerWaalsContact C-N 3.27Å; M707-S709 PolarHBondContact O-N 2.92Å; S709-Q711 PolarHBondContact O-N 3.49Å
710N31.3Very low46.4Very low147 Ų147102.9 Ų102.979%0.78657%0.567SS**  trans-70.167.1170.3-85.1-17.7000110.1H708 S712H708-N710 PolarHBondContact O-N 3.47Å; H708-N710 VanDerWaalsContact O-N 3.08Å; N710-S712 PolarHBondContact O-N 3.36Å
711Q29.1Very low43.6Very low172 Ų172112.4 Ų112.480%0.80461%0.609SS**  trans-76.561160-71.3-170-10.400108.9S709 S713S709-Q711 PolarHBondContact O-N 3.49Å; Q711-S713 PolarHBondContact O-N 3.44Å
712S32Very low40.8Very low96 Ų96120.6 Ų120.667%0.67165%0.647SS**  trans-71.488.7162.8550000107.7N710 K714N710-S712 PolarHBondContact O-N 3.36Å; S712-K714 PolarHBondContact O-N 3.11Å
713S27.6Very low38Very low122 Ų122128.2 Ų128.285%0.85368%0.682SS**  trans-69.666.8177.656.40000111.5Q711Q711-S713 PolarHBondContact O-N 3.44Å
714K30.4Very low35.5Very low168 Ų168131.9 Ų131.973%0.7370%0.703SS**  trans-94114.1163.7-76.6-168.4172.4-174.40108.4S712 Y716S712-K714 PolarHBondContact O-N 3.11Å; K714-Y716 PolarHBondContact O-N 3.14Å
715S27.1Very low33.2Very low123 Ų123137.1 Ų137.186%0.8673%0.732SS**  trans-62.5117.8174.6390000110.8
716Y27Very low31.4Very low200 Ų200142.1 Ų142.178%0.78475%0.752SS**  trans-105.3144.5159.5-77.3-85.8000108.7K714K714-Y716 PolarHBondContact O-N 3.14Å
717P29.8Very low30.3Very low110 Ų110143.9 Ų143.971%0.71476%0.764SS**  trans-69.5149.8-178.829.7-35000111.4D719P717-D719 PolarHBondContact O-N 3.15Å; P717-D719 VanDerWaalsContact O-N 3.09Å
718P31.1Very low29.7Very low133 Ų133149.3 Ų149.386%0.86478%0.777SS**SBendtrans-84.882.7-174.334.5-35.5000111.8
719D28.5Very low29.2Very low155 Ų155146.6 Ų146.683%0.82977%0.774SS**  trans-147.7167.2168.2-125.8-38.9000113.2P717P717-D719 PolarHBondContact O-N 3.15Å; P717-D719 VanDerWaalsContact O-N 3.09Å
720V32.9Very low29.2Very low132 Ų132148.3 Ų148.380%0.877%0.774SS**  trans70.195.8-172.7-170.20000115
721K29.7Very low29Very low201 Ų201146.5 Ų146.587%0.87477%0.765SS**  trans-88.3116.8156.8-66.2170.4178.9170.50109.5
722Q29.8Very low28.8Very low171 Ų171143.1 Ų143.180%0.79976%0.756SS**  trans172.9154142.6-99.1165.136.100113.5
723Q26.8Very low28.7Very low161 Ų161144.7 Ų144.775%0.75276%0.764SS**  trans42116.3158.1-61.5-177.9-1100118.7
724M29.6Very low29Very low133 Ų133143.9 Ų143.966%0.65575%0.745SS**  -168.5144.671.4-96.6-65.4177.500112.1H726M724-H726 PolarHBondContact O-N 2.88Å
725D25.7Very low29.1Very low143 Ų143142 Ų14277%0.76574%0.737SS**  trans-79.7109.4160.7-104.4-47.2000109
726H27.4Very low29.6Very low144 Ų144139.2 Ų139.267%0.66771%0.708SS**  trans-126.9138171.5-76.8-3.7000110.9M724M724-H726 PolarHBondContact O-N 2.88Å
727P29.2Very low30.4Very low121 Ų121133.6 Ų133.679%0.78670%0.696SS**PPolyproline II helixtrans-66.7140.318029-34.5000110.3T729P727-T729 PolarHBondContact O-N 3.38Å; P727-T729 VanDerWaalsContact O-N 3.13Å
728R29.6Very low31.1Very low239 Ų239129.2 Ų129.290%0.90267%0.668SS**PPolyproline II helixtrans-60.8116.3-176.5-69.1-176.5179.8179.7-0.6111.3
729T27.2Very low32Very low120 Ų120123.2 Ų123.274%0.73663%0.629SS**PPolyproline II helixtrans-59134.6173.1-330000111P727 D731P727-T729 PolarHBondContact O-N 3.38Å; P727-T729 VanDerWaalsContact O-N 3.13Å; T729-D731 VanDerWaalsContact C-N 3.34Å; T729-D731 WeakPolarHBondContact CG2-OD2 3.49Å; T729-D731 PolarHBondContact O-N 3.49Å
730I30.7Very low33.4Very low123 Ų123120 Ų12063%0.63161%0.612SS**  trans-9560.8-170.3-56.9-179.5000109.3F734I730-F734 HydrophobicContact CB-CE2 4.19Å; I730-F734 HydrophobicContact CG2-CD2 3.9Å; I730-F734 HydrophobicContact CG2-CE2 3.31Å; I730-F734 HydrophobicContact CG2-CZ 3.94Å
731D27.3Very low35.1Very low110 Ų110113.7 Ų113.759%0.58857%0.574SS**  trans-126.352.7-175.6-74.4-57000113.2N416 T729N416-D731 PolarHBondContact ND2-OD1 2.81Å; T729-D731 VanDerWaalsContact C-N 3.34Å; T729-D731 WeakPolarHBondContact CG2-OD2 3.49Å; T729-D731 PolarHBondContact O-N 3.49Å
732T26.4Very low37.3Very low100 Ų100105.1 Ų105.161%0.61354%0.538SS*.SBendtrans-125.2154.9151.353.30000108.6F734T732-F734 WeakPolarHBondContact O-CD2 3.5Å; T732-F734 PolarHBondContact O-N 3.25Å
733P29.6Very low39.9Very low129 Ų12997.7 Ų97.784%0.83851%0.505SS*.  trans-65102.817127-33.2000108.3K735P733-K735 VanDerWaalsContact C-N 3.25Å; P733-K735 PolarHBondContact O-N 3.02Å
734F33.7Very low42.9Very low105 Ų10590 Ų9046%0.46147%0.469SS..  trans-65.684.9179.4-84-101.5000110.9I730 T732 Y736I730-F734 HydrophobicContact CB-CE2 4.19Å; I730-F734 HydrophobicContact CG2-CD2 3.9Å; I730-F734 HydrophobicContact CG2-CE2 3.31Å; I730-F734 HydrophobicContact CG2-CZ 3.94Å; T732-F734 WeakPolarHBondContact O-CD2 3.5Å; T732-F734 PolarHBondContact O-N 3.25Å; F734-Y736 PolarHBondContact O-N 3.17Å
735K31.8Very low45.8Very low128 Ų12884.6 Ų84.656%0.55744%0.441SS*.  -37.5124.3121.2-110.6-161.4172.2-158.70105.8T705 P733T705-K735 PolarHBondContact OG1-NZ 3.34Å; P733-K735 VanDerWaalsContact C-N 3.25Å; P733-K735 PolarHBondContact O-N 3.02Å
736Y38.6Very low48.9Very low66 Ų6677.8 Ų77.826%0.25940%0.404SS..  trans-55.6167.3164.3-59.1-76.2000108.4R442 F734 S738 D764R442-Y736 PolarHBondContact NE-OH 2.71Å; R442-Y736 VanDerWaalsContact NE-OH 3.16Å; R442-Y736 PolarHBondContact NH2-OH 2.98Å; F734-Y736 PolarHBondContact O-N 3.17Å; Y736-S738 PolarHBondContact O-N 3.08Å; Y736-D764 VanDerWaalsContact CD2-O 3.3Å; Y736-D764 WeakPolarHBondContact CD2-O 3.43Å
737P44.1Very low52Low81 Ų8170.9 Ų70.953%0.52637%0.373SS..  trans-53104.8141.4-8.624.9000104.5
738S44.1Very low54.9Low19 Ų1965.8 Ų65.813%0.13334%0.339CS..  trans-57.1163.4170.140.50000107.3Y736 D740Y736-S738 PolarHBondContact O-N 3.08Å; S738-D740 PolarHBondContact O-N 3.41Å; S738-D740 VanDerWaalsContact O-N 3.16Å
739S48.9Very low57.6Low7 Ų756.1 Ų56.15%0.04931%0.306CS..  trans-47.913115540.60000107.2V741 F762S739-V741 CarbonylContact C-O 3.49Å; S739-V741 VanDerWaalsContact CB-O 3.27Å; S739-V741 WeakPolarHBondContact CB-O 3.26Å; S739-V741 CarbonylContact O-C 3.58Å; S739-V741 VanDerWaalsContact O-C 3.24Å; S739-V741 PolarHBondContact O-N 2.97Å; S739-V741 VanDerWaalsContact O-O 3.04Å; S739-V741 PolarHBondContact OG-O 2.68Å; S739-F762 WeakPolarHBondContact OG-CB 3.32Å
740D59.1Low60.2Low87 Ų8754.4 Ų54.447%0.46529%0.293SS..SBendtrans-55-25.1-173.7-48.7-80.6000111H704 S738 M772H704-D740 PolarHBondContact ND1-O 2.94Å; S738-D740 PolarHBondContact O-N 3.41Å; S738-D740 VanDerWaalsContact O-N 3.16Å; D740-M772 HydrophobicContact CB-CG 3.6Å; D740-M772 HydrophobicContact CB-SD 4.01Å
741V67.8Low62.4Low0 Ų048.6 Ų48.60%026%0.263CS..  trans-93.4127165.4-174.70000111.6I702 S739 V744 F762 M772I702-V741 HydrophobicContact CG2-CB 4.18Å; I702-V741 HydrophobicContact CG2-CG1 3.56Å; I702-V741 HydrophobicContact CG2-CG2 3.7Å; S739-V741 CarbonylContact C-O 3.49Å; S739-V741 VanDerWaalsContact CB-O 3.27Å; S739-V741 WeakPolarHBondContact CB-O 3.26Å; S739-V741 CarbonylContact O-C 3.58Å; S739-V741 VanDerWaalsContact O-C 3.24Å; S739-V741 PolarHBondContact O-N 2.97Å; S739-V741 VanDerWaalsContact O-O 3.04Å; S739-V741 PolarHBondContact OG-O 2.68Å; V741-V744 HydrophobicContact CG1-CG2 3.49Å; V741-V744 VanDerWaalsContact CG1-CG2 3.49Å; V741-F762 HydrophobicContact CG1-CD2 4.26Å; V741-F762 HydrophobicContact CG1-CE2 4.36Å; V741-M772 HydrophobicContact CG2-CE 3.42Å; V741-M772 VanDerWaalsContact CG2-CE 3.42Å; V741-M772 HydrophobicContact CG2-CG 4.29Å; V741-M772 HydrophobicContact CG2-SD 3.69Å
742D75.7Confident64.4Low21 Ų2150.7 Ų50.711%0.11227%0.267CS..SBendtrans-88.5-42.5168.6-72.7-17000111.4Y703 T705 F762Y703-D742 HydrophobicContact CD1-CB 4.12Å; Y703-D742 HydrophobicContact CE1-CB 4.33Å; Y703-D742 PolarHBondContact O-N 3.23Å; T705-D742 WeakPolarHBondContact CA-OD2 3.42Å; T705-D742 WeakPolarHBondContact CB-OD2 3.29Å; T705-D742 VanDerWaalsContact CG2-OD2 3.23Å; T705-D742 WeakPolarHBondContact CG2-OD2 3.41Å; T705-D742 PolarHBondContact N-OD2 3.26Å; T705-D742 PolarHBondContact OG1-OD2 3.46Å; D742-F762 PolarHBondContact O-N 3.15Å
743C85.5Confident66.3Low15 Ų1549 Ų4910%0.10126%0.259CS..EExtended strand (participates in β ladder)trans-143140.3-177-69.40000111.4Y703 Y745 I760Y703-C743 HydrophobicContact CD1-CB 4.24Å; Y703-C743 PolarHBondContact N-O 2.82Å; Y703-C743 PolarHBondContact O-N 2.86Å; C743-Y745 HydrophobicContact CB-CE2 4.45Å; C743-I760 WeakPolarHBondContact CA-O 3.32Å
744V89.2Confident67.9Low0 Ų045.4 Ų45.40%023%0.231CC..EExtended strand (participates in β ladder)trans-115.9139.7173.2-1790000109.4I699 V741 V759 I760 F762 V775I699-V744 HydrophobicContact CB-CG1 4.4Å; I699-V744 HydrophobicContact CD1-CG1 3.53Å; I699-V744 HydrophobicContact CG1-CG1 4.1Å; I699-V744 HydrophobicContact CG2-CG1 3.6Å; V741-V744 HydrophobicContact CG1-CG2 3.49Å; V741-V744 VanDerWaalsContact CG1-CG2 3.49Å; V744-V759 WeakPolarHBondContact O-CA 3.3Å; V744-I760 HydrophobicContact CB-CB 4.41Å; V744-I760 PolarHBondContact N-O 3.43Å; V744-I760 PolarHBondContact O-N 3.5Å; V744-F762 HydrophobicContact CB-CE2 4.34Å; V744-F762 HydrophobicContact CG2-CD2 4.48Å; V744-F762 HydrophobicContact CG2-CE2 3.6Å; V744-F762 HydrophobicContact CG2-CZ 4.32Å; V744-V775 HydrophobicContact CG1-CG1 4.35Å; V744-V775 HydrophobicContact CG2-CG1 3.56Å
745Y90.2Very high69.7Low18 Ų1842.5 Ų42.57%0.07122%0.222CC..EExtended strand (participates in β ladder)trans-108.5130173.1-64.1-98.5000110.6I700 A701 C743 L757 S758 V759 L852 L856I700-Y745 WeakPolarHBondContact CG1-O 3.29Å; I700-Y745 PolarHBondContact N-O 3.1Å; A701-Y745 HydrophobicContact CB-CD2 4.34Å; A701-Y745 PolarHBondContact N-O 2.61Å; A701-Y745 PolarHBondContact O-N 3.42Å; C743-Y745 HydrophobicContact CB-CE2 4.45Å; Y745-L757 HydrophobicContact CD1-CD2 4.15Å; Y745-S758 WeakPolarHBondContact CA-O 3.45Å; Y745-V759 HydrophobicContact CD1-CG2 3.38Å; Y745-V759 HydrophobicContact CE1-CG2 3.07Å; Y745-V759 HydrophobicContact CG-CG2 4.29Å; Y745-L852 HydrophobicContact CD1-CD1 3.66Å; Y745-L852 HydrophobicContact CD1-CD2 3.61Å; Y745-L852 HydrophobicContact CD1-CG 3.87Å; Y745-L852 HydrophobicContact CD2-CD1 4.46Å; Y745-L852 HydrophobicContact CD2-CD2 4.11Å; Y745-L852 HydrophobicContact CE1-CD1 4.46Å; Y745-L852 HydrophobicContact CE1-CD2 3.57Å; Y745-L852 HydrophobicContact CE1-CG 4.21Å; Y745-L852 HydrophobicContact CE2-CD2 4.11Å; Y745-L852 HydrophobicContact CG-CD1 3.66Å; Y745-L852 HydrophobicContact CG-CD2 3.89Å; Y745-L852 HydrophobicContact CG-CG 4.24Å; Y745-L856 HydrophobicContact CE2-CD1 4.33Å
746A91.8Very high72.1Confident0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-142.9151.4-171.800000113.6C697 L698 I699 S758C697-A746 HydrophobicContact CB-CB 3.76Å; C697-A746 WeakPolarHBondContact SG-CB 3.34Å; L698-A746 WeakPolarHBondContact O-CA 3.4Å; L698-A746 WeakPolarHBondContact O-CB 3.4Å; I699-A746 HydrophobicContact CD1-CB 3.7Å; A746-S758 PolarHBondContact N-O 2.91Å; A746-S758 PolarHBondContact O-N 3.01Å; A746-S758 PolarHBondContact O-OG 2.86Å
747V91.3Very high74.6Confident0 Ų033.5 Ų33.50%019%0.185CC..EExtended strand (participates in β ladder)trans-130.5175.4-176.4-600000110.9V668 C697 L698 I700 C751 L757 L848V668-V747 VanDerWaalsContact CG2-C 3.5Å; C697-V747 CarbonylContact C-O 3.5Å; C697-V747 VanDerWaalsContact CA-O 3.3Å; C697-V747 WeakPolarHBondContact CA-O 3.27Å; C697-V747 VanDerWaalsContact CB-O 3.29Å; C697-V747 WeakPolarHBondContact CB-O 3.37Å; L698-V747 HydrophobicContact CB-CG2 4.16Å; L698-V747 HydrophobicContact CD2-CG2 4.36Å; L698-V747 PolarHBondContact N-O 3.47Å; L698-V747 PolarHBondContact O-N 3Å; I700-V747 HydrophobicContact CD1-CG1 3.67Å; I700-V747 HydrophobicContact CG1-CG1 4.22Å; I700-V747 HydrophobicContact CG2-CG1 4.34Å; I700-V747 HydrophobicContact CG2-CG2 3.63Å; V747-C751 HydrophobicContact CG2-CB 4.31Å; V747-L757 HydrophobicContact CG1-CG 4.13Å; V747-L848 HydrophobicContact CG1-CD1 4.06Å
748D90.1Very high76.8Confident14 Ų1429.7 Ų29.78%0.07516%0.16CC..  trans-57.3140172.3-65.8-48.3000112S667 V668 S669 N750 C751 T755S667-D748 WeakPolarHBondContact CB-OD1 3.31Å; S667-D748 PolarHBondContact OG-OD1 3.1Å; V668-D748 WeakPolarHBondContact CA-OD1 3.21Å; V668-D748 PolarHBondContact N-OD1 3.13Å; S669-D748 WeakPolarHBondContact CB-OD2 3.44Å; S669-D748 PolarHBondContact N-OD1 2.94Å; S669-D748 PolarHBondContact OG-OD2 3.36Å; D748-N750 VanDerWaalsContact C-N 3.29Å; D748-N750 PolarHBondContact O-N 3.35Å; D748-C751 WeakPolarHBondContact O-CB 3.27Å; D748-C751 PolarHBondContact O-N 2.85Å; D748-T755 PolarHBondContact OD2-OG1 2.92Å
749V86.2Confident79.1Confident36 Ų3629 Ų2922%0.21816%0.155CC..THydrogen-bonded Turntrans-58.9-41.1179.7178.10000112.1V780V749-V780 HydrophobicContact CB-CG2 4.49Å; V749-V780 HydrophobicContact CG1-CG1 4.22Å; V749-V780 HydrophobicContact CG1-CG2 3.67Å; V749-V780 HydrophobicContact CG2-CG1 3.6Å; V749-V780 HydrophobicContact CG2-CG2 4.17Å
750N82Confident81Confident84 Ų8428.7 Ų28.745%0.44915%0.153SC..THydrogen-bonded Turntrans-101.346.6177.4-65.8-30000111.2D748 K752 N838D748-N750 VanDerWaalsContact C-N 3.29Å; D748-N750 PolarHBondContact O-N 3.35Å; N750-K752 PolarHBondContact O-N 2.91Å; N750-K752 VanDerWaalsContact O-N 3.13Å; N750-N838 PolarHBondContact OD1-O 2.8Å
751C77.5Confident82.3Confident1 Ų128.7 Ų28.71%0.00715%0.149CC..  trans-61.2113.2178.7-170.80000111V747 D748 S753 D841V747-C751 HydrophobicContact CG2-CB 4.31Å; D748-C751 WeakPolarHBondContact O-CB 3.27Å; D748-C751 PolarHBondContact O-N 2.85Å; C751-S753 PolarHBondContact SG-O 3.27Å; C751-D841 PolarHBondContact O-N 3.45Å; C751-D841 VanDerWaalsContact O-N 3.09Å
752K68.9Low82.9Confident153 Ų15329.3 Ų29.367%0.66515%0.151SC*.  trans-116.1-4.2178-68.9-175.6179.5-174.10113.4N750N750-K752 PolarHBondContact O-N 2.91Å; N750-K752 VanDerWaalsContact O-N 3.13Å
753S66.8Low82.5Confident65 Ų6532.4 Ų32.446%0.45516%0.161SC..SBendtrans-161168.7178.153.60000109C751 T755C751-S753 PolarHBondContact SG-O 3.27Å; S753-T755 PolarHBondContact O-N 3.13Å; S753-T755 WeakPolarHBondContact OG-CG2 3.34Å
754E62.9Low81Confident53 Ų5337.3 Ų37.325%0.24819%0.187CC..SBendtrans-71.171.9177.7-68.3153.7-146.100111.1R806 I808 L848E754-R806 IonicContact OE1-NH1 2.74Å; E754-R806 PolarHBondContact OE1-NH1 2.91Å; E754-R806 WeakPolarHBondContact OE2-CD 3.37Å; E754-R806 IonicContact OE2-CZ 3.84Å; E754-R806 IonicContact OE2-NE 2.65Å; E754-R806 IonicContact OE2-NH1 2.78Å; E754-R806 PolarHBondContact OE2-NH1 3.47Å; E754-I808 HydrophobicContact CB-CD1 4.01Å; E754-I808 HydrophobicContact CB-CG1 4.4Å; E754-I808 HydrophobicContact CG-CD1 4.24Å; E754-L848 HydrophobicContact CB-CD2 4.2Å; E754-L848 HydrophobicContact CG-CD2 3.91Å; E754-L848 HydrophobicContact CG-CG 4.34Å
755T71.1Confident79.5Confident44 Ų4438.9 Ų38.927%0.2720%0.203SC..  trans-79.9-71.1-170.3520000113.3S669 D748 S753 P809S669-T755 VanDerWaalsContact OG-CB 3.24Å; S669-T755 WeakPolarHBondContact OG-CB 3.28Å; S669-T755 PolarHBondContact OG-OG1 2.89Å; D748-T755 PolarHBondContact OD2-OG1 2.92Å; S753-T755 PolarHBondContact O-N 3.13Å; S753-T755 WeakPolarHBondContact OG-CG2 3.34Å; T755-P809 WeakPolarHBondContact O-CD 3.16Å
756C83Confident77.9Confident6 Ų638.4 Ų38.44%0.04120%0.201CC..  trans-153.3146.9-177.1-76.30000110.2V668 Y672V668-C756 HydrophobicContact CB-CB 4.49Å; V668-C756 HydrophobicContact CG1-CB 3.85Å; Y672-C756 WeakPolarHBondContact CD1-SG 3.4Å
757L89.7Confident76.4Confident0 Ų039.6 Ų39.60%021%0.207CC..EExtended strand (participates in β ladder)trans-120.8147.1-179.2-140166.2000108.9I700 Y745 V747 I808 P809 L810 I811 L848 L852I700-L757 HydrophobicContact CD1-CD2 4.43Å; Y745-L757 HydrophobicContact CD1-CD2 4.15Å; V747-L757 HydrophobicContact CG1-CG 4.13Å; L757-I808 HydrophobicContact CB-CG2 4.24Å; L757-P809 PolarHBondContact N-O 3.25Å; L757-L810 HydrophobicContact CB-CD1 3.91Å; L757-L810 HydrophobicContact CD2-CD1 3.86Å; L757-L810 HydrophobicContact CG-CD1 4.36Å; L757-L810 VanDerWaalsContact O-CA 3.31Å; L757-L810 WeakPolarHBondContact O-CA 3.47Å; L757-I811 PolarHBondContact O-N 3.24Å; L757-L848 HydrophobicContact CD1-CD2 4.45Å; L757-L852 HydrophobicContact CD1-CD1 4.5Å; L757-L852 HydrophobicContact CD2-CD1 4.24Å
758S91.5Very high74.7Confident0 Ų039.8 Ų39.80%021%0.209CC..EExtended strand (participates in β ladder)trans-129145.5176.461.40000112.6Y745 A746 I811Y745-S758 WeakPolarHBondContact CA-O 3.45Å; A746-S758 PolarHBondContact N-O 2.91Å; A746-S758 PolarHBondContact O-N 3.01Å; A746-S758 PolarHBondContact O-OG 2.86Å; S758-I811 CarbonylContact C-O 3.54Å; S758-I811 WeakPolarHBondContact CA-O 3.34Å
759V91.5Very high73Confident5 Ų541.1 Ų41.13%0.0322%0.216CC..EExtended strand (participates in β ladder)trans-110.6123.2167.7157.90000108.3V744 Y745 K761 L810 I811 T812 L813V744-V759 WeakPolarHBondContact O-CA 3.3Å; Y745-V759 HydrophobicContact CD1-CG2 3.38Å; Y745-V759 HydrophobicContact CE1-CG2 3.07Å; Y745-V759 HydrophobicContact CG-CG2 4.29Å; V759-K761 HydrophobicContact CG1-CD 4.33Å; V759-K761 HydrophobicContact CG1-CG 3.53Å; V759-L810 HydrophobicContact CG2-CD1 4.05Å; V759-L810 HydrophobicContact CG2-CD2 4.26Å; V759-L810 HydrophobicContact CG2-CG 4.47Å; V759-I811 PolarHBondContact N-O 3.11Å; V759-T812 HydrophobicContact CG1-CG2 4.39Å; V759-L813 PolarHBondContact O-N 3.25Å
760I90.2Very high71.6Confident0 Ų043.8 Ų43.80%023%0.225CC..EExtended strand (participates in β ladder)trans-107.2104171.1-57.4172.7000107L695 C743 V744 F762 F783 L786 L813L695-I760 HydrophobicContact CD2-CD1 4.17Å; C743-I760 WeakPolarHBondContact CA-O 3.32Å; V744-I760 HydrophobicContact CB-CB 4.41Å; V744-I760 PolarHBondContact N-O 3.43Å; V744-I760 PolarHBondContact O-N 3.5Å; I760-F762 HydrophobicContact CG2-CE2 3.95Å; I760-F762 HydrophobicContact CG2-CZ 4.2Å; I760-F783 HydrophobicContact CD1-CD1 4.28Å; I760-F783 HydrophobicContact CD1-CD2 3.59Å; I760-F783 HydrophobicContact CD1-CE1 4.15Å; I760-F783 HydrophobicContact CD1-CE2 3.44Å; I760-F783 VanDerWaalsContact CD1-CE2 3.44Å; I760-F783 HydrophobicContact CD1-CG 4.01Å; I760-F783 HydrophobicContact CD1-CZ 3.74Å; I760-F783 HydrophobicContact CG2-CE1 4.46Å; I760-L786 HydrophobicContact CD1-CD1 3.95Å; I760-L786 HydrophobicContact CG1-CD1 4.12Å; I760-L786 HydrophobicContact CG2-CD2 4.06Å; I760-L813 WeakPolarHBondContact CA-O 3.37Å; I760-L813 HydrophobicContact CG1-CB 4.47Å
761K85.8Confident71Confident87 Ų8739.9 Ų39.938%0.37821%0.205SC..EExtended strand (participates in β ladder)trans-86.9130.8175.8-53.7-154.4172.1-168.10110.3V759 T812 L813 H814 Y815V759-K761 HydrophobicContact CG1-CD 4.33Å; V759-K761 HydrophobicContact CG1-CG 3.53Å; K761-T812 HydrophobicContact CG-CG2 4.49Å; K761-L813 PolarHBondContact N-O 3.27Å; K761-H814 CarbonylContact O-C 3.58Å; K761-H814 WeakPolarHBondContact O-CA 3.46Å; K761-Y815 PolarHBondContact O-N 3.34Å
762F80.2Confident70.5Confident13 Ų1342.1 Ų42.16%0.05722%0.216CC..EExtended strand (participates in β ladder)trans-84.5144.8173.6-70.3-98.4000109.6S739 V741 D742 V744 I760 L771 F783 Y815S739-F762 WeakPolarHBondContact OG-CB 3.32Å; V741-F762 HydrophobicContact CG1-CD2 4.26Å; V741-F762 HydrophobicContact CG1-CE2 4.36Å; D742-F762 PolarHBondContact O-N 3.15Å; V744-F762 HydrophobicContact CB-CE2 4.34Å; V744-F762 HydrophobicContact CG2-CD2 4.48Å; V744-F762 HydrophobicContact CG2-CE2 3.6Å; V744-F762 HydrophobicContact CG2-CZ 4.32Å; I760-F762 HydrophobicContact CG2-CE2 3.95Å; I760-F762 HydrophobicContact CG2-CZ 4.2Å; F762-L771 HydrophobicContact CD1-CD1 3.44Å; F762-L771 VanDerWaalsContact CD1-CD1 3.44Å; F762-L771 HydrophobicContact CE1-CD1 3.43Å; F762-L771 VanDerWaalsContact CE1-CD1 3.43Å; F762-L771 HydrophobicContact CE1-CD2 3.96Å; F762-L771 HydrophobicContact CE1-CG 4.36Å; F762-L771 HydrophobicContact CG-CD1 4.35Å; F762-L771 HydrophobicContact CZ-CD1 4.35Å; F762-F783 HydrophobicContact CZ-CE1 4.16Å; F762-Y815 AromaticContact CD1-CD1 3.52Å; F762-Y815 HydrophobicContact CD1-CD1 3.52Å; F762-Y815 HydrophobicContact CD1-CD2 4.4Å; F762-Y815 HydrophobicContact CD1-CE1 4.23Å; F762-Y815 AromaticContact CD1-CG 3.63Å; F762-Y815 HydrophobicContact CD1-CG 3.63Å; F762-Y815 AromaticContact CE1-CD1 3.52Å; F762-Y815 HydrophobicContact CE1-CD1 3.52Å; F762-Y815 AromaticContact CE1-CD2 3.64Å; F762-Y815 HydrophobicContact CE1-CD2 3.64Å; F762-Y815 HydrophobicContact CE1-CE1 4.02Å; F762-Y815 HydrophobicContact CE1-CE2 4.1Å; F762-Y815 AromaticContact CE1-CG 3.33Å; F762-Y815 HydrophobicContact CE1-CG 3.33Å; F762-Y815 HydrophobicContact CZ-CD2 4.04Å; F762-Y815 AromaticContact CZ-CG 3.99Å; F762-Y815 HydrophobicContact CZ-CG 3.99Å
763W67.1Low70.5Confident86 Ų8639.4 Ų39.433%0.32621%0.208SC..  trans-94.4114.9-170.8-157.868.1000111.1P604 G765 L766 H814 Y815P604-W763 HydrophobicContact CB-CE3 4.3Å; P604-W763 HydrophobicContact CB-CH2 3.84Å; P604-W763 HydrophobicContact CB-CZ2 4.11Å; P604-W763 HydrophobicContact CB-CZ3 3.95Å; P604-W763 HydrophobicContact CG-CE3 4.44Å; P604-W763 HydrophobicContact CG-CH2 3.59Å; P604-W763 HydrophobicContact CG-CZ2 4.32Å; P604-W763 HydrophobicContact CG-CZ3 3.67Å; W763-G765 PolarHBondContact O-N 3.28Å; W763-L766 WeakPolarHBondContact O-CB 3.43Å; W763-L766 PolarHBondContact O-N 3.26Å; W763-H814 AromaticContact CD1-ND1 3.99Å; W763-Y815 WeakPolarHBondContact CB-O 3.43Å; W763-Y815 PolarHBondContact N-O 3.2Å
764D54.9Low71Confident118 Ų11837.6 Ų37.663%0.63119%0.193SC*.THydrogen-bonded Turntrans-47.3-24.1-174-58.5-32.2000116.1Y736 L766Y736-D764 VanDerWaalsContact CD2-O 3.3Å; Y736-D764 WeakPolarHBondContact CD2-O 3.43Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.26Å
765G56.3Low71.9Confident33 Ų3335.1 Ų35.134%0.3418%0.182SC..THydrogen-bonded Turntrans-77.2-1.4176.600000115.3W763W763-G765 PolarHBondContact O-N 3.28Å
766L56.9Low72.4Confident8 Ų836.9 Ų36.94%0.04219%0.187CC..BIsolated β-bridgetrans-110.1117.9-178-173.566.6000111.1W763 D764 A768 Y815W763-L766 WeakPolarHBondContact O-CB 3.43Å; W763-L766 PolarHBondContact O-N 3.26Å; D764-L766 VanDerWaalsContact C-N 3.26Å; D764-L766 PolarHBondContact O-N 3.26Å; L766-A768 HydrophobicContact CD2-CB 3.94Å; L766-A768 HydrophobicContact CG-CB 4Å; L766-A768 PolarHBondContact O-N 3.31Å; L766-Y815 HydrophobicContact CD2-CD1 4.26Å; L766-Y815 HydrophobicContact CD2-CE1 3.96Å
767Q60.4Low72.5Confident25 Ų2538.7 Ų38.712%0.11720%0.196CC..  trans-76.468.3172.8-168.1-169.7-7.400110.1I444 R446 A450 E454 L769I444-Q767 HydrophobicContact CG2-CB 4.39Å; R446-Q767 HydrophobicContact CG-CB 4.48Å; R446-Q767 VanDerWaalsContact CZ-OE1 3.3Å; A450-Q767 WeakPolarHBondContact CB-O 3.47Å; E454-Q767 PolarHBondContact OE2-NE2 3.18Å; Q767-L769 VanDerWaalsContact C-N 3.27Å; Q767-L769 HydrophobicContact CG-CD1 4.32Å; Q767-L769 HydrophobicContact CG-CG 4.31Å; Q767-L769 PolarHBondContact O-N 3.22Å
768A56.1Low72.2Confident4 Ų440.2 Ų40.23%0.03321%0.211CC..  trans-84.464.2-176.300000112.7L766 L771L766-A768 HydrophobicContact CD2-CB 3.94Å; L766-A768 HydrophobicContact CG-CB 4Å; L766-A768 PolarHBondContact O-N 3.31Å; A768-L771 HydrophobicContact CB-CD1 3.49Å; A768-L771 VanDerWaalsContact CB-CD1 3.49Å; A768-L771 HydrophobicContact CB-CG 4.06Å
769L53.7Low71.8Confident43 Ų4343.8 Ų43.823%0.22523%0.225CC..THydrogen-bonded Turntrans-54150.7168.3-72.8163.7000111.4A453 Q767 L771A453-L769 HydrophobicContact CB-CB 4.45Å; A453-L769 HydrophobicContact CB-CD1 4.39Å; Q767-L769 VanDerWaalsContact C-N 3.27Å; Q767-L769 HydrophobicContact CG-CD1 4.32Å; Q767-L769 HydrophobicContact CG-CG 4.31Å; Q767-L769 PolarHBondContact O-N 3.22Å; L769-L771 VanDerWaalsContact C-N 3.31Å; L769-L771 PolarHBondContact O-N 3.16Å
770H56.3Low71.7Confident91 Ų9145.3 Ų45.342%0.42123%0.234SC..THydrogen-bonded Turntrans60.332.8176.8-62-79.6000114.9D773H770-D773 WeakPolarHBondContact CB-OD2 3.38Å; H770-D773 IonicContact CE1-OD2 3.92Å; H770-D773 IonicContact CG-OD2 3.95Å; H770-D773 IonicContact ND1-OD2 3.65Å; H770-D773 PolarHBondContact ND1-OD2 2.75Å
771L70.2Confident71.8Confident3 Ų345.3 Ų45.32%0.01623%0.234CC..  trans-73.2-37.5164.7-82.8170.5000112F762 A768 L769 D773 I774 V775 V821F762-L771 HydrophobicContact CD1-CD1 3.44Å; F762-L771 VanDerWaalsContact CD1-CD1 3.44Å; F762-L771 HydrophobicContact CE1-CD1 3.43Å; F762-L771 VanDerWaalsContact CE1-CD1 3.43Å; F762-L771 HydrophobicContact CE1-CD2 3.96Å; F762-L771 HydrophobicContact CE1-CG 4.36Å; F762-L771 HydrophobicContact CG-CD1 4.35Å; F762-L771 HydrophobicContact CZ-CD1 4.35Å; A768-L771 HydrophobicContact CB-CD1 3.49Å; A768-L771 VanDerWaalsContact CB-CD1 3.49Å; A768-L771 HydrophobicContact CB-CG 4.06Å; L769-L771 VanDerWaalsContact C-N 3.31Å; L769-L771 PolarHBondContact O-N 3.16Å; L771-D773 VanDerWaalsContact C-N 3.28Å; L771-D773 PolarHBondContact O-N 2.92Å; L771-I774 PolarHBondContact O-N 3.18Å; L771-V775 HydrophobicContact CB-CG2 4.45Å; L771-V775 HydrophobicContact CD2-CG2 4.2Å; L771-V775 WeakPolarHBondContact O-CB 3.21Å; L771-V775 WeakPolarHBondContact O-CG2 3.32Å; L771-V775 PolarHBondContact O-N 3.35Å; L771-V821 HydrophobicContact CD2-CG1 3.65Å
772M66.3Low72.1Confident48 Ų4841.2 Ų41.224%0.23622%0.216CC..THydrogen-bonded Turntrans-65.1-25.5-175.6-65.1-93.552.200114.6I702 D740 V741 I774 V775 Q776I702-M772 HydrophobicContact CD1-CE 4.12Å; D740-M772 HydrophobicContact CB-CG 3.6Å; D740-M772 HydrophobicContact CB-SD 4.01Å; V741-M772 HydrophobicContact CG2-CE 3.42Å; V741-M772 VanDerWaalsContact CG2-CE 3.42Å; V741-M772 HydrophobicContact CG2-CG 4.29Å; V741-M772 HydrophobicContact CG2-SD 3.69Å; M772-I774 PolarHBondContact O-N 3.31Å; M772-V775 WeakPolarHBondContact CE-O 3.23Å; M772-Q776 WeakPolarHBondContact O-CG 3.21Å; M772-Q776 PolarHBondContact O-NE2 3.21Å
773D70.3Confident72.6Confident95 Ų9540.6 Ų40.651%0.50821%0.213SC..THydrogen-bonded Turntrans-65.5-20.9174.5-59.2-40.2000112H770 L771 R779H770-D773 WeakPolarHBondContact CB-OD2 3.38Å; H770-D773 IonicContact CE1-OD2 3.92Å; H770-D773 IonicContact CG-OD2 3.95Å; H770-D773 IonicContact ND1-OD2 3.65Å; H770-D773 PolarHBondContact ND1-OD2 2.75Å; L771-D773 VanDerWaalsContact C-N 3.28Å; L771-D773 PolarHBondContact O-N 2.92Å; D773-R779 PolarHBondContact O-NH1 2.87Å
774I77.2Confident73.7Confident28 Ų2838.5 Ų38.514%0.14421%0.209CC..THydrogen-bonded Turntrans-112-51.2-176.4-73.1174.9000111.5L771 M772 Q776 R779 L781 V821 V823L771-I774 PolarHBondContact O-N 3.18Å; M772-I774 PolarHBondContact O-N 3.31Å; I774-Q776 PolarHBondContact O-N 2.94Å; I774-R779 VanDerWaalsContact CA-NH1 3.32Å; I774-R779 VanDerWaalsContact O-CD 3.27Å; I774-R779 WeakPolarHBondContact O-CD 3.47Å; I774-R779 PolarHBondContact O-NH1 3.43Å; I774-L781 HydrophobicContact CG2-CD2 3.87Å; I774-V821 HydrophobicContact CG2-CG1 4.29Å; I774-V821 HydrophobicContact CG2-CG2 4.15Å; I774-V823 HydrophobicContact CB-CG2 4.4Å; I774-V823 HydrophobicContact CG1-CG2 4.28Å; I774-V823 HydrophobicContact CG2-CG2 3.8Å
775V81.1Confident75.2Confident0 Ų033.1 Ų33.10%018%0.18CC..  trans-80.598.5-177.1-177.60000109.6I702 V744 L771 M772 L781I702-V775 HydrophobicContact CD1-CG1 4.11Å; V744-V775 HydrophobicContact CG1-CG1 4.35Å; V744-V775 HydrophobicContact CG2-CG1 3.56Å; L771-V775 HydrophobicContact CB-CG2 4.45Å; L771-V775 HydrophobicContact CD2-CG2 4.2Å; L771-V775 WeakPolarHBondContact O-CB 3.21Å; L771-V775 WeakPolarHBondContact O-CG2 3.32Å; L771-V775 PolarHBondContact O-N 3.35Å; M772-V775 WeakPolarHBondContact CE-O 3.23Å; V775-L781 HydrophobicContact CB-CD1 4.4Å; V775-L781 HydrophobicContact CG1-CD1 4.47Å; V775-L781 HydrophobicContact CG2-CD1 4.06Å
776Q82.4Confident76.7Confident81 Ų8131.6 Ų31.638%0.37916%0.164SC..  trans-138148.2179.4-57.6-177.1-8.600109.5M772 I774 R779M772-Q776 WeakPolarHBondContact O-CG 3.21Å; M772-Q776 PolarHBondContact O-NE2 3.21Å; I774-Q776 PolarHBondContact O-N 2.94Å; Q776-R779 HydrophobicContact CB-CG 4.2Å; Q776-R779 VanDerWaalsContact CD-CZ 3.41Å; Q776-R779 VanDerWaalsContact CD-NH2 3.28Å; Q776-R779 WeakPolarHBondContact O-CB 3.43Å; Q776-R779 PolarHBondContact O-N 2.82Å
777I83.7Confident77.9Confident45 Ų4531.4 Ų31.423%0.23116%0.163CC..THydrogen-bonded Turntrans-61.9140.7179.2-57.4165000109.5I702 R779 Q867I702-I777 HydrophobicContact CD1-CG1 3.89Å; I702-I777 HydrophobicContact CG1-CG1 3.86Å; I777-R779 VanDerWaalsContact C-N 3.26Å; I777-R779 PolarHBondContact O-N 2.95Å; I777-Q867 VanDerWaalsContact CD1-C 3.42Å; I777-Q867 HydrophobicContact CD1-CB 3.74Å; I777-Q867 WeakPolarHBondContact CD1-O 3.18Å
778G83.2Confident78.9Confident31 Ų3131.2 Ų31.232%0.3216%0.162SC..THydrogen-bonded Turntrans79.4-1.4-176.800000114.8I699I699-G778 PolarHBondContact O-N 2.93Å
779R84.9Confident80Confident75 Ų7536.5 Ų36.528%0.28318%0.182SC..  trans-89.1144172-68.1-173.3179.5-179.6-0.9112.2I699 D773 I774 Q776 I777 L781I699-R779 PolarHBondContact N-O 2.86Å; D773-R779 PolarHBondContact O-NH1 2.87Å; I774-R779 VanDerWaalsContact CA-NH1 3.32Å; I774-R779 VanDerWaalsContact O-CD 3.27Å; I774-R779 WeakPolarHBondContact O-CD 3.47Å; I774-R779 PolarHBondContact O-NH1 3.43Å; Q776-R779 HydrophobicContact CB-CG 4.2Å; Q776-R779 VanDerWaalsContact CD-CZ 3.41Å; Q776-R779 VanDerWaalsContact CD-NH2 3.28Å; Q776-R779 WeakPolarHBondContact O-CB 3.43Å; Q776-R779 PolarHBondContact O-N 2.82Å; I777-R779 VanDerWaalsContact C-N 3.26Å; I777-R779 PolarHBondContact O-N 2.95Å; R779-L781 HydrophobicContact CB-CD2 4.44Å
780V89.2Confident81.2Confident37 Ų3739.5 Ų39.522%0.22419%0.194CC..EExtended strand (participates in β ladder)trans-86.7127.2165.8177.80000109.3C697 L698 V749 E824C697-V780 WeakPolarHBondContact O-CA 3.28Å; L698-V780 HydrophobicContact CD1-CG2 4.24Å; V749-V780 HydrophobicContact CB-CG2 4.49Å; V749-V780 HydrophobicContact CG1-CG1 4.22Å; V749-V780 HydrophobicContact CG1-CG2 3.67Å; V749-V780 HydrophobicContact CG2-CG1 3.6Å; V749-V780 HydrophobicContact CG2-CG2 4.17Å; V780-E824 HydrophobicContact CG1-CB 4.11Å; V780-E824 PolarHBondContact O-N 3.11Å
781L91Very high82.3Confident0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-127.2142.6-178.6-60.7179.6000110.8C696 C697 I699 I774 V775 R779 F783 V821 V823C696-L781 WeakPolarHBondContact CA-O 3.35Å; C697-L781 PolarHBondContact N-O 3.24Å; C697-L781 PolarHBondContact O-N 2.92Å; I699-L781 HydrophobicContact CD1-CD1 3.94Å; I699-L781 HydrophobicContact CD1-CG 4.46Å; I699-L781 HydrophobicContact CG1-CD1 3.56Å; I699-L781 HydrophobicContact CG1-CG 4.05Å; I774-L781 HydrophobicContact CG2-CD2 3.87Å; V775-L781 HydrophobicContact CB-CD1 4.4Å; V775-L781 HydrophobicContact CG1-CD1 4.47Å; V775-L781 HydrophobicContact CG2-CD1 4.06Å; R779-L781 HydrophobicContact CB-CD2 4.44Å; L781-F783 HydrophobicContact CB-CD2 4.2Å; L781-F783 HydrophobicContact CB-CE2 3.68Å; L781-F783 HydrophobicContact CB-CZ 4.22Å; L781-F783 HydrophobicContact CD1-CE2 4.01Å; L781-F783 HydrophobicContact CD1-CZ 3.77Å; L781-V821 HydrophobicContact CB-CG2 4.2Å; L781-V821 HydrophobicContact CD1-CG2 4.09Å; L781-V821 HydrophobicContact CD2-CG2 4.47Å; L781-V823 HydrophobicContact CD2-CB 4.42Å; L781-V823 HydrophobicContact CD2-CG2 3.96Å
782C92Very high83Confident1 Ų139 Ų391%0.00720%0.196CC..EExtended strand (participates in β ladder)trans-102.7118.1165.5-55.10000109.3K665 L695 T822K665-C782 HydrophobicContact CD-CB 4.43Å; K665-C782 PolarHBondContact NZ-SG 3.41Å; L695-C782 WeakPolarHBondContact O-CA 3.42Å; C782-T822 PolarHBondContact N-O 3.21Å; C782-T822 PolarHBondContact O-N 3.48Å; C782-T822 PolarHBondContact O-OG1 2.91Å
783F91.7Very high83.7Confident0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-101136.1171.4-64.9-90000109.6D694 L695 I699 I760 F762 L781 L786 Y815 N820 V821D694-F783 CarbonylContact C-O 3.52Å; D694-F783 WeakPolarHBondContact CA-O 3.43Å; L695-F783 PolarHBondContact N-O 3.18Å; L695-F783 PolarHBondContact O-N 2.87Å; I699-F783 HydrophobicContact CD1-CE2 4.09Å; I699-F783 HydrophobicContact CD1-CZ 4.41Å; I760-F783 HydrophobicContact CD1-CD1 4.28Å; I760-F783 HydrophobicContact CD1-CD2 3.59Å; I760-F783 HydrophobicContact CD1-CE1 4.15Å; I760-F783 HydrophobicContact CD1-CE2 3.44Å; I760-F783 VanDerWaalsContact CD1-CE2 3.44Å; I760-F783 HydrophobicContact CD1-CG 4.01Å; I760-F783 HydrophobicContact CD1-CZ 3.74Å; I760-F783 HydrophobicContact CG2-CE1 4.46Å; F762-F783 HydrophobicContact CZ-CE1 4.16Å; L781-F783 HydrophobicContact CB-CD2 4.2Å; L781-F783 HydrophobicContact CB-CE2 3.68Å; L781-F783 HydrophobicContact CB-CZ 4.22Å; L781-F783 HydrophobicContact CD1-CE2 4.01Å; L781-F783 HydrophobicContact CD1-CZ 3.77Å; F783-L786 HydrophobicContact CB-CD1 3.56Å; F783-L786 HydrophobicContact CB-CD2 4.05Å; F783-L786 HydrophobicContact CB-CG 3.75Å; F783-L786 HydrophobicContact CD1-CD2 4.36Å; F783-L786 HydrophobicContact CG-CD1 4.11Å; F783-L786 HydrophobicContact CG-CD2 4.49Å; F783-Y815 AromaticContact CD1-CD2 3.75Å; F783-Y815 HydrophobicContact CD1-CD2 3.75Å; F783-Y815 AromaticContact CD1-CE2 3.89Å; F783-Y815 HydrophobicContact CD1-CE2 3.89Å; F783-Y815 HydrophobicContact CE1-CD2 4.11Å; F783-Y815 HydrophobicContact CE1-CE2 4.3Å; F783-N820 CarbonylContact C-O 3.58Å; F783-N820 WeakPolarHBondContact CA-O 3.31Å; F783-V821 HydrophobicContact CD1-CB 3.73Å; F783-V821 HydrophobicContact CD1-CG2 3.65Å; F783-V821 HydrophobicContact CE1-CB 3.77Å; F783-V821 HydrophobicContact CE1-CG2 3.42Å; F783-V821 VanDerWaalsContact CE1-CG2 3.42Å; F783-V821 HydrophobicContact CE2-CG2 4.38Å; F783-V821 HydrophobicContact CG-CG2 4.25Å; F783-V821 HydrophobicContact CZ-CG2 3.83Å
784N89.5Confident84.2Confident43 Ų4336.2 Ų36.223%0.2319%0.185CC..EExtended strand (participates in β ladder)trans-113151175.1-638.3000110.6D694 L786 S819 N820D694-N784 WeakPolarHBondContact OD1-CA 3.26Å; N784-L786 VanDerWaalsContact C-N 3.34Å; N784-L786 PolarHBondContact O-N 2.73Å; N784-S819 VanDerWaalsContact O-CA 3.23Å; N784-S819 WeakPolarHBondContact O-CA 3.44Å; N784-S819 VanDerWaalsContact O-CB 3.31Å; N784-S819 WeakPolarHBondContact O-CB 3.45Å; N784-N820 PolarHBondContact N-O 3.31Å; N784-N820 PolarHBondContact O-N 2.97Å
785D86.8Confident84Confident5 Ų540.4 Ų40.43%0.02721%0.208CC..EExtended strand (participates in β ladder)trans54.842.6174.3-52.5-61000113.3Y402 R663 D694 S819Y402-D785 HydrophobicContact CD1-CB 4.04Å; Y402-D785 HydrophobicContact CE1-CB 4.07Å; Y402-D785 WeakPolarHBondContact CE1-OD1 3.45Å; R663-D785 IonicContact CZ-OD1 3.92Å; R663-D785 VanDerWaalsContact CZ-OD1 3.25Å; R663-D785 IonicContact CZ-OD2 3.5Å; R663-D785 IonicContact NH1-OD1 3.93Å; R663-D785 PolarHBondContact NH1-OD1 2.99Å; R663-D785 IonicContact NH1-OD2 3.72Å; R663-D785 IonicContact NH2-OD1 3.71Å; R663-D785 PolarHBondContact NH2-OD1 3.17Å; R663-D785 IonicContact NH2-OD2 2.83Å; R663-D785 PolarHBondContact NH2-OD2 2.98Å; R663-D785 VanDerWaalsContact NH2-OD2 3.16Å; D694-D785 PolarHBondContact OD1-N 2.79Å; D785-S819 PolarHBondContact O-OG 2.83Å
786L87.5Confident83.3Confident0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-77.1130.7174.4-67.8-176.4000111E692 I693 L695 I760 F783 N784 L813 Y815E692-L786 WeakPolarHBondContact CA-O 3.3Å; I693-L786 PolarHBondContact N-O 2.84Å; I693-L786 WeakPolarHBondContact O-CB 3.26Å; I693-L786 PolarHBondContact O-N 3.45Å; L695-L786 HydrophobicContact CB-CD1 4.01Å; L695-L786 HydrophobicContact CD2-CD1 4.15Å; I760-L786 HydrophobicContact CD1-CD1 3.95Å; I760-L786 HydrophobicContact CG1-CD1 4.12Å; I760-L786 HydrophobicContact CG2-CD2 4.06Å; F783-L786 HydrophobicContact CB-CD1 3.56Å; F783-L786 HydrophobicContact CB-CD2 4.05Å; F783-L786 HydrophobicContact CB-CG 3.75Å; F783-L786 HydrophobicContact CD1-CD2 4.36Å; F783-L786 HydrophobicContact CG-CD1 4.11Å; F783-L786 HydrophobicContact CG-CD2 4.49Å; N784-L786 VanDerWaalsContact C-N 3.34Å; N784-L786 PolarHBondContact O-N 2.73Å; L786-L813 HydrophobicContact CB-CB 4.32Å; L786-L813 HydrophobicContact CB-CD1 4.39Å; L786-L813 HydrophobicContact CD1-CB 4.3Å; L786-L813 HydrophobicContact CD1-CD1 3.67Å; L786-Y815 HydrophobicContact CD2-CD2 3.82Å; L786-Y815 HydrophobicContact CD2-CG 4.32Å
787Q83Confident82Confident5 Ų543 Ų432%0.02323%0.229CC..EExtended strand (participates in β ladder)trans-86.7115-179.6-71.6-177.1-100112.2P604 P608 R691 E692 R789 L813 H814 T816P604-Q787 PolarHBondContact O-NE2 3.34Å; P608-Q787 HydrophobicContact CG-CG 4.43Å; R691-Q787 CarbonylContact O-C 3.5Å; R691-Q787 WeakPolarHBondContact O-CA 3.27Å; E692-Q787 HydrophobicContact CG-CG 4.44Å; Q787-R789 PolarHBondContact O-N 3.11Å; Q787-L813 CarbonylContact O-C 3.24Å; Q787-L813 WeakPolarHBondContact O-CA 3.41Å; Q787-H814 HydrophobicContact CB-CB 4.3Å; Q787-H814 PolarHBondContact N-O 3.01Å; Q787-H814 PolarHBondContact O-N 3.16Å; Q787-T816 HydrophobicContact CB-CG2 4.41Å; Q787-T816 HydrophobicContact CG-CG2 4.03Å
788L81.7Confident80.3Confident20 Ų2044.3 Ų44.311%0.10524%0.242CC..EExtended strand (participates in β ladder)trans-66.7122.5172.1177.666000111.3I675 R691 I693 I811 L813I675-L788 HydrophobicContact CD1-CD1 3.71Å; I675-L788 HydrophobicContact CD1-CD2 3.55Å; I675-L788 HydrophobicContact CD1-CG 4.28Å; I675-L788 HydrophobicContact CG1-CD2 3.6Å; I675-L788 HydrophobicContact CG2-CD2 4.43Å; R691-L788 HydrophobicContact CB-CB 4.17Å; R691-L788 PolarHBondContact O-N 2.9Å; I693-L788 HydrophobicContact CD1-CB 4.21Å; I693-L788 HydrophobicContact CD1-CD2 4.45Å; L788-I811 HydrophobicContact CD1-CG2 3.52Å; L788-L813 HydrophobicContact CB-CD2 4.11Å; L788-L813 HydrophobicContact CD1-CD2 3.81Å
789R77.9Confident78.7Confident116 Ų11652.1 Ų52.144%0.43827%0.267SS..EExtended strand (participates in β ladder)trans-107.4-49.5179-66.1-61.2178.6150.6-10.8113.2Q787 T812 H814Q787-R789 PolarHBondContact O-N 3.11Å; R789-T812 PolarHBondContact N-O 2.72Å; R789-H814 HydrophobicContact CG-CB 4.23Å; R789-H814 VanDerWaalsContact CG-CD2 3.49Å; R789-H814 WeakPolarHBondContact CG-CD2 3.29Å
790H79.1Confident76.6Confident105 Ų10555.1 Ų55.149%0.48629%0.288SS..EExtended strand (participates in β ladder)trans-156154.7-172.3-178.855000110.4T812H790-T812 PolarHBondContact N-O 2.68Å; H790-T812 WeakPolarHBondContact O-CA 3.34Å; H790-T812 WeakPolarHBondContact O-CB 3.45Å; H790-T812 PolarHBondContact O-N 2.69Å
791C80.3Confident74.2Confident39 Ų3959.8 Ų59.826%0.26431%0.312SS..EExtended strand (participates in β ladder)trans-131.8136167.7-161.30000108.3Y672Y672-C791 VanDerWaalsContact CE2-SG 3.58Å
792Q83.8Confident72.2Confident46 Ų4668.3 Ų68.322%0.21536%0.357CS..EExtended strand (participates in β ladder)trans-137.7163.1178.243147.484.300109.4L810Q792-L810 HydrophobicContact CG-CB 4.28Å; Q792-L810 HydrophobicContact CG-CD2 4.38Å; Q792-L810 PolarHBondContact N-O 3.17Å; Q792-L810 VanDerWaalsContact N-O 3.1Å; Q792-L810 PolarHBondContact O-N 2.96Å
793T82.1Confident70.1Confident76 Ų7673.6 Ų73.647%0.46638%0.382SS..EExtended strand (participates in β ladder)trans-100.9144.3167.943.70000110.9
794I79.9Confident68.2Low8 Ų878.6 Ų78.64%0.04142%0.415CS..EExtended strand (participates in β ladder)trans-101124.6169.4-59.8174.5000107.2T796 T807 I808 L810 F855I794-T796 HydrophobicContact CG2-CG2 4.16Å; I794-T807 CarbonylContact O-C 3.54Å; I794-T807 WeakPolarHBondContact O-CA 3.3Å; I794-I808 PolarHBondContact N-O 3.05Å; I794-I808 PolarHBondContact O-N 2.78Å; I794-L810 HydrophobicContact CD1-CB 4.02Å; I794-L810 HydrophobicContact CD1-CD1 4.24Å; I794-L810 HydrophobicContact CD1-CD2 4.22Å; I794-L810 HydrophobicContact CD1-CG 4.38Å; I794-L810 HydrophobicContact CG1-CB 4.14Å; I794-F855 HydrophobicContact CB-CD2 4.41Å; I794-F855 HydrophobicContact CD1-CB 4.42Å; I794-F855 HydrophobicContact CD1-CD1 3.87Å; I794-F855 HydrophobicContact CD1-CD2 4.16Å; I794-F855 HydrophobicContact CD1-CE1 4.14Å; I794-F855 HydrophobicContact CD1-CE2 4.4Å; I794-F855 HydrophobicContact CD1-CG 3.88Å; I794-F855 HydrophobicContact CD1-CZ 4.38Å; I794-F855 HydrophobicContact CG1-CD1 4.46Å; I794-F855 HydrophobicContact CG1-CD2 3.93Å; I794-F855 HydrophobicContact CG1-CE1 4.48Å; I794-F855 HydrophobicContact CG1-CE2 3.95Å; I794-F855 HydrophobicContact CG1-CG 4.18Å; I794-F855 HydrophobicContact CG1-CZ 4.23Å; I794-F855 HydrophobicContact CG2-CB 4.06Å; I794-F855 HydrophobicContact CG2-CD2 3.77Å; I794-F855 HydrophobicContact CG2-CG 4.05Å
795N73.5Confident66.7Low116 Ų11680.8 Ų80.862%0.6243%0.433SS*.EExtended strand (participates in β ladder)trans-90.8120.9173.8-62.82.5000108.7T807N795-T807 WeakPolarHBondContact OD1-CG2 3.48Å
796T65.8Low65.7Low22 Ų2285.4 Ų85.414%0.13545%0.45CS..EExtended strand (participates in β ladder)trans-106.1116.8-177.857.90000111.3I794 R806 I808 V851I794-T796 HydrophobicContact CG2-CG2 4.16Å; T796-R806 PolarHBondContact N-O 3.33Å; T796-R806 PolarHBondContact O-N 3.37Å; T796-R806 PolarHBondContact OG1-O 3.21Å; T796-I808 HydrophobicContact CG2-CD1 4.02Å; T796-V851 HydrophobicContact CG2-CB 4.24Å; T796-V851 HydrophobicContact CG2-CG1 3.51Å; T796-V851 HydrophobicContact CG2-CG2 3.75Å
797T54.5Low65.1Low114 Ų11489.8 Ų89.870%0.69948%0.477SS*.  trans-92.199169.838.10000109.6K799T797-K799 PolarHBondContact O-N 3.28Å
798S49.7Very low65.1Low71 Ų7189.7 Ų89.750%0.49748%0.476SS..  trans-61123175.9-172.80000110.3L800S798-L800 VanDerWaalsContact C-N 3.26Å; S798-L800 PolarHBondContact OG-N 3.41Å; S798-L800 VanDerWaalsContact OG-N 3.1Å; S798-L800 PolarHBondContact OG-O 3.02Å
799K48.3Very low65.3Low195 Ų19589.2 Ų89.285%0.84848%0.475SS*.SBendtrans-83-4.2167-68.7180-179.7170.90112.6T797T797-K799 PolarHBondContact O-N 3.28Å
800L41.5Very low65.8Low139 Ų13984 Ų8473%0.72846%0.456SS*.SBendtrans-120.8105.7-178.2-137.372.7000109.8S798S798-L800 VanDerWaalsContact C-N 3.26Å; S798-L800 PolarHBondContact OG-N 3.41Å; S798-L800 VanDerWaalsContact OG-N 3.1Å; S798-L800 PolarHBondContact OG-O 3.02Å
801N39.1Very low66.3Low134 Ų13479 Ų7972%0.71743%0.433SS*.SBendtrans66.5147.7-176.6-53.3-37.4000116Q803N801-Q803 PolarHBondContact O-N 2.82Å
802N49Very low66.7Low180 Ų18078.1 Ų78.196%0.96343%0.426SS*.SBendtrans-71.965.3-176.2-69.7-14.4000113.1
803Q46.9Very low66.9Low111 Ų11175.9 Ų75.952%0.51942%0.415SS..  trans-91.2144.3167.5-69.7-104.8-20.100109.7N801N801-Q803 PolarHBondContact O-N 2.82Å
804P53Low67.1Low106 Ų10674.2 Ų74.269%0.68840%0.402SS*.  trans-61.1149.9176.827.1-34.8000111R806P804-R806 PolarHBondContact O-N 2.76Å
805S56.8Low67.3Low88 Ų8874.1 Ų74.162%0.61540%0.401SS*.  trans-60.4110.6179.753.10000110.9
806R65.2Low67.4Low103 Ų10368.6 Ų68.639%0.38937%0.372SS..EExtended strand (participates in β ladder)trans-82.2155.6179.9-61.1-178.2-179.7-179.71.8111.3E754 T796 P804E754-R806 IonicContact OE1-NH1 2.74Å; E754-R806 PolarHBondContact OE1-NH1 2.91Å; E754-R806 WeakPolarHBondContact OE2-CD 3.37Å; E754-R806 IonicContact OE2-CZ 3.84Å; E754-R806 IonicContact OE2-NE 2.65Å; E754-R806 IonicContact OE2-NH1 2.78Å; E754-R806 PolarHBondContact OE2-NH1 3.47Å; T796-R806 PolarHBondContact N-O 3.33Å; T796-R806 PolarHBondContact O-N 3.37Å; T796-R806 PolarHBondContact OG1-O 3.21Å; P804-R806 PolarHBondContact O-N 2.76Å
807T75.4Confident67.6Low91 Ų9167.9 Ų67.956%0.55837%0.368SS*.EExtended strand (participates in β ladder)trans-121.5112177.950.10000109.6I794 N795I794-T807 CarbonylContact O-C 3.54Å; I794-T807 WeakPolarHBondContact O-CA 3.3Å; N795-T807 WeakPolarHBondContact OD1-CG2 3.48Å
808I83.4Confident68.4Low3 Ų362.7 Ų62.72%0.01534%0.336CS..EExtended strand (participates in β ladder)trans-105122.7-175-63.3175.9000109.1E754 L757 I794 T796 L848 V851E754-I808 HydrophobicContact CB-CD1 4.01Å; E754-I808 HydrophobicContact CB-CG1 4.4Å; E754-I808 HydrophobicContact CG-CD1 4.24Å; L757-I808 HydrophobicContact CB-CG2 4.24Å; I794-I808 PolarHBondContact N-O 3.05Å; I794-I808 PolarHBondContact O-N 2.78Å; T796-I808 HydrophobicContact CG2-CD1 4.02Å; I808-L848 HydrophobicContact CD1-CD2 4.01Å; I808-V851 HydrophobicContact CD1-CG1 4.22Å; I808-V851 HydrophobicContact CD1-CG2 4.47Å
809P86.2Confident69.9Low11 Ų1159.4 Ų59.47%0.07131%0.313CS..EExtended strand (participates in β ladder)trans-63.4137.1175.5-23.635.1000112.6Y672 T755 L757Y672-P809 HydrophobicContact CD1-CB 4Å; Y672-P809 HydrophobicContact CD1-CG 3.85Å; Y672-P809 HydrophobicContact CD2-CB 3.95Å; Y672-P809 HydrophobicContact CE1-CB 3.74Å; Y672-P809 HydrophobicContact CE1-CG 3.32Å; Y672-P809 HydrophobicContact CE2-CB 3.7Å; Y672-P809 HydrophobicContact CE2-CG 4.18Å; Y672-P809 HydrophobicContact CG-CB 4.09Å; Y672-P809 HydrophobicContact CG-CG 4.44Å; T755-P809 WeakPolarHBondContact O-CD 3.16Å; L757-P809 PolarHBondContact N-O 3.25Å
810L88.1Confident71.7Confident7 Ų752 Ų524%0.03728%0.283CS..EExtended strand (participates in β ladder)trans-122.7108.1171.1-172.677.6000110.8L757 V759 Q792 I794 F855L757-L810 HydrophobicContact CB-CD1 3.91Å; L757-L810 HydrophobicContact CD2-CD1 3.86Å; L757-L810 HydrophobicContact CG-CD1 4.36Å; L757-L810 VanDerWaalsContact O-CA 3.31Å; L757-L810 WeakPolarHBondContact O-CA 3.47Å; V759-L810 HydrophobicContact CG2-CD1 4.05Å; V759-L810 HydrophobicContact CG2-CD2 4.26Å; V759-L810 HydrophobicContact CG2-CG 4.47Å; Q792-L810 HydrophobicContact CG-CB 4.28Å; Q792-L810 HydrophobicContact CG-CD2 4.38Å; Q792-L810 PolarHBondContact N-O 3.17Å; Q792-L810 VanDerWaalsContact N-O 3.1Å; Q792-L810 PolarHBondContact O-N 2.96Å; I794-L810 HydrophobicContact CD1-CB 4.02Å; I794-L810 HydrophobicContact CD1-CD1 4.24Å; I794-L810 HydrophobicContact CD1-CD2 4.22Å; I794-L810 HydrophobicContact CD1-CG 4.38Å; I794-L810 HydrophobicContact CG1-CB 4.14Å; L810-F855 HydrophobicContact CD2-CE1 4.2Å; L810-F855 HydrophobicContact CD2-CZ 4.48Å
811I89.3Confident73.8Confident0 Ų045.4 Ų45.40%025%0.249CC..EExtended strand (participates in β ladder)trans-82.4128.1172.3-43.4178.9000109.3V668 A671 I675 L757 S758 V759 L788 L813V668-I811 HydrophobicContact CG1-CD1 4.16Å; V668-I811 WeakPolarHBondContact O-CD1 3.42Å; A671-I811 HydrophobicContact CB-CD1 3.94Å; I675-I811 HydrophobicContact CD1-CD1 4.48Å; I675-I811 HydrophobicContact CD1-CG2 4.11Å; L757-I811 PolarHBondContact O-N 3.24Å; S758-I811 CarbonylContact C-O 3.54Å; S758-I811 WeakPolarHBondContact CA-O 3.34Å; V759-I811 PolarHBondContact N-O 3.11Å; L788-I811 HydrophobicContact CD1-CG2 3.52Å; I811-L813 HydrophobicContact CG2-CD2 3.64Å; I811-L813 HydrophobicContact CG2-CG 3.93Å
812T88.5Confident76.1Confident19 Ų1942 Ų4212%0.11723%0.232CC..EExtended strand (participates in β ladder)trans-102.2110.2171.9-56.10000110.6V759 K761 R789 H790V759-T812 HydrophobicContact CG1-CG2 4.39Å; K761-T812 HydrophobicContact CG-CG2 4.49Å; R789-T812 PolarHBondContact N-O 2.72Å; H790-T812 PolarHBondContact N-O 2.68Å; H790-T812 WeakPolarHBondContact O-CA 3.34Å; H790-T812 WeakPolarHBondContact O-CB 3.45Å; H790-T812 PolarHBondContact O-N 2.69Å
813L88.5Confident77.6Confident0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-109.9147.6178.9-56.4178.6000110I693 L695 V759 I760 K761 L786 Q787 L788 I811I693-L813 HydrophobicContact CD1-CD2 4.3Å; L695-L813 HydrophobicContact CD2-CD1 3.83Å; V759-L813 PolarHBondContact O-N 3.25Å; I760-L813 WeakPolarHBondContact CA-O 3.37Å; I760-L813 HydrophobicContact CG1-CB 4.47Å; K761-L813 PolarHBondContact N-O 3.27Å; L786-L813 HydrophobicContact CB-CB 4.32Å; L786-L813 HydrophobicContact CB-CD1 4.39Å; L786-L813 HydrophobicContact CD1-CB 4.3Å; L786-L813 HydrophobicContact CD1-CD1 3.67Å; Q787-L813 CarbonylContact O-C 3.24Å; Q787-L813 WeakPolarHBondContact O-CA 3.41Å; L788-L813 HydrophobicContact CB-CD2 4.11Å; L788-L813 HydrophobicContact CD1-CD2 3.81Å; I811-L813 HydrophobicContact CG2-CD2 3.64Å; I811-L813 HydrophobicContact CG2-CG 3.93Å
814H85.8Confident78.7Confident41 Ų4135.2 Ų35.219%0.1920%0.199CC..EExtended strand (participates in β ladder)trans-111.3122.6172.6-83.6-146.7000110.2K761 W763 Q787 R789 T816K761-H814 CarbonylContact O-C 3.58Å; K761-H814 WeakPolarHBondContact O-CA 3.46Å; W763-H814 AromaticContact CD1-ND1 3.99Å; Q787-H814 HydrophobicContact CB-CB 4.3Å; Q787-H814 PolarHBondContact N-O 3.01Å; Q787-H814 PolarHBondContact O-N 3.16Å; R789-H814 HydrophobicContact CG-CB 4.23Å; R789-H814 VanDerWaalsContact CG-CD2 3.49Å; R789-H814 WeakPolarHBondContact CG-CD2 3.29Å; H814-T816 HydrophobicContact CB-CG2 4.34Å
815Y83.8Confident78.9Confident6 Ų638.8 Ų38.82%0.02420%0.204CC..EExtended strand (participates in β ladder)trans-79114.6163.8-171.1-75.6000108.4K761 F762 W763 L766 F783 L786 S819 N820 V821K761-Y815 PolarHBondContact O-N 3.34Å; F762-Y815 AromaticContact CD1-CD1 3.52Å; F762-Y815 HydrophobicContact CD1-CD1 3.52Å; F762-Y815 HydrophobicContact CD1-CD2 4.4Å; F762-Y815 HydrophobicContact CD1-CE1 4.23Å; F762-Y815 AromaticContact CD1-CG 3.63Å; F762-Y815 HydrophobicContact CD1-CG 3.63Å; F762-Y815 AromaticContact CE1-CD1 3.52Å; F762-Y815 HydrophobicContact CE1-CD1 3.52Å; F762-Y815 AromaticContact CE1-CD2 3.64Å; F762-Y815 HydrophobicContact CE1-CD2 3.64Å; F762-Y815 HydrophobicContact CE1-CE1 4.02Å; F762-Y815 HydrophobicContact CE1-CE2 4.1Å; F762-Y815 AromaticContact CE1-CG 3.33Å; F762-Y815 HydrophobicContact CE1-CG 3.33Å; F762-Y815 HydrophobicContact CZ-CD2 4.04Å; F762-Y815 AromaticContact CZ-CG 3.99Å; F762-Y815 HydrophobicContact CZ-CG 3.99Å; W763-Y815 WeakPolarHBondContact CB-O 3.43Å; W763-Y815 PolarHBondContact N-O 3.2Å; L766-Y815 HydrophobicContact CD2-CD1 4.26Å; L766-Y815 HydrophobicContact CD2-CE1 3.96Å; F783-Y815 AromaticContact CD1-CD2 3.75Å; F783-Y815 HydrophobicContact CD1-CD2 3.75Å; F783-Y815 AromaticContact CD1-CE2 3.89Å; F783-Y815 HydrophobicContact CD1-CE2 3.89Å; F783-Y815 HydrophobicContact CE1-CD2 4.11Å; F783-Y815 HydrophobicContact CE1-CE2 4.3Å; L786-Y815 HydrophobicContact CD2-CD2 3.82Å; L786-Y815 HydrophobicContact CD2-CG 4.32Å; Y815-S819 PolarHBondContact OH-O 3.21Å; Y815-N820 VanDerWaalsContact OH-CA 3.25Å; Y815-N820 WeakPolarHBondContact OH-CA 3.38Å; Y815-V821 HydrophobicContact CE2-CB 4Å; Y815-V821 HydrophobicContact CE2-CG1 4.28Å; Y815-V821 PolarHBondContact OH-N 2.93Å
816T75.9Confident78.5Confident0 Ų040.3 Ų40.30%021%0.212CC..  trans-108.3178.6-176.868.90000111.5Q787 H814 A818 S819Q787-T816 HydrophobicContact CB-CG2 4.41Å; Q787-T816 HydrophobicContact CG-CG2 4.03Å; H814-T816 HydrophobicContact CB-CG2 4.34Å; T816-A818 PolarHBondContact O-N 2.91Å; T816-A818 PolarHBondContact OG1-N 2.96Å; T816-S819 PolarHBondContact N-OG 3.21Å; T816-S819 WeakPolarHBondContact O-CB 3.26Å; T816-S819 PolarHBondContact O-N 3.16Å; T816-S819 VanDerWaalsContact O-N 3.08Å; T816-S819 PolarHBondContact OG1-OG 2.81Å; T816-S819 VanDerWaalsContact OG1-OG 3.1Å
817S69.9Low77.4Confident7 Ų741.4 Ų41.45%0.04923%0.229CC..THydrogen-bonded Turntrans-53.7-31.9167.443.90000114.2Q405 F605Q405-S817 PolarHBondContact NE2-O 3.24Å; F605-S817 WeakPolarHBondContact CE1-OG 3.28Å; F605-S817 WeakPolarHBondContact CZ-OG 3.45Å
818A71.4Confident75.4Confident4 Ų441.6 Ų41.63%0.03324%0.24CC..THydrogen-bonded Turntrans-76.5-25.517700000113Y402 F605 T816Y402-A818 HydrophobicContact CD1-CB 3.95Å; Y402-A818 HydrophobicContact CE1-CB 4.49Å; Y402-A818 HydrophobicContact CG-CB 4.21Å; F605-A818 HydrophobicContact CD1-CB 4.14Å; F605-A818 HydrophobicContact CE1-CB 4.06Å; T816-A818 PolarHBondContact O-N 2.91Å; T816-A818 PolarHBondContact OG1-N 2.96Å
819S82.6Confident73Confident3 Ų352.3 Ų52.32%0.02128%0.281CS..  trans-73.8151.1-174.6-45.30000112.2N784 D785 Y815 T816N784-S819 VanDerWaalsContact O-CA 3.23Å; N784-S819 WeakPolarHBondContact O-CA 3.44Å; N784-S819 VanDerWaalsContact O-CB 3.31Å; N784-S819 WeakPolarHBondContact O-CB 3.45Å; D785-S819 PolarHBondContact O-OG 2.83Å; Y815-S819 PolarHBondContact OH-O 3.21Å; T816-S819 PolarHBondContact N-OG 3.21Å; T816-S819 WeakPolarHBondContact O-CB 3.26Å; T816-S819 PolarHBondContact O-N 3.16Å; T816-S819 VanDerWaalsContact O-N 3.08Å; T816-S819 PolarHBondContact OG1-OG 2.81Å; T816-S819 VanDerWaalsContact OG1-OG 3.1Å
820N84.7Confident70.3Confident40 Ų4063.4 Ų63.421%0.21432%0.321CS..EExtended strand (participates in β ladder)trans-131.2153.5176.7-159.2-15000110.4S403 F783 N784 Y815S403-N820 PolarHBondContact OG-ND2 3.09Å; F783-N820 CarbonylContact C-O 3.58Å; F783-N820 WeakPolarHBondContact CA-O 3.31Å; N784-N820 PolarHBondContact N-O 3.31Å; N784-N820 PolarHBondContact O-N 2.97Å; Y815-N820 VanDerWaalsContact OH-CA 3.25Å; Y815-N820 WeakPolarHBondContact OH-CA 3.38Å
821V86.6Confident67.5Low0 Ų068.6 Ų68.60%036%0.358CS..EExtended strand (participates in β ladder)trans-129.6131.2174.863.40000110.8R449 L771 I774 L781 F783 Y815R449-V821 PolarHBondContact NH2-O 3.41Å; L771-V821 HydrophobicContact CD2-CG1 3.65Å; I774-V821 HydrophobicContact CG2-CG1 4.29Å; I774-V821 HydrophobicContact CG2-CG2 4.15Å; L781-V821 HydrophobicContact CB-CG2 4.2Å; L781-V821 HydrophobicContact CD1-CG2 4.09Å; L781-V821 HydrophobicContact CD2-CG2 4.47Å; F783-V821 HydrophobicContact CD1-CB 3.73Å; F783-V821 HydrophobicContact CD1-CG2 3.65Å; F783-V821 HydrophobicContact CE1-CB 3.77Å; F783-V821 HydrophobicContact CE1-CG2 3.42Å; F783-V821 VanDerWaalsContact CE1-CG2 3.42Å; F783-V821 HydrophobicContact CE2-CG2 4.38Å; F783-V821 HydrophobicContact CG-CG2 4.25Å; F783-V821 HydrophobicContact CZ-CG2 3.83Å; Y815-V821 HydrophobicContact CE2-CB 4Å; Y815-V821 HydrophobicContact CE2-CG1 4.28Å; Y815-V821 PolarHBondContact OH-N 2.93Å
822T86.1Confident64.6Low61 Ų6173.5 Ų73.537%0.37439%0.392SS..EExtended strand (participates in β ladder)trans-128.1141.9177.954.30000110C782C782-T822 PolarHBondContact N-O 3.21Å; C782-T822 PolarHBondContact O-N 3.48Å; C782-T822 PolarHBondContact O-OG1 2.91Å
823V81.7Confident61.7Low64 Ų6484.8 Ų84.839%0.38843%0.433SS..EExtended strand (participates in β ladder)trans-74131.4167.4-176.40000107.7I774 L781 K825I774-V823 HydrophobicContact CB-CG2 4.4Å; I774-V823 HydrophobicContact CG1-CG2 4.28Å; I774-V823 HydrophobicContact CG2-CG2 3.8Å; L781-V823 HydrophobicContact CD2-CB 4.42Å; L781-V823 HydrophobicContact CD2-CG2 3.96Å; V823-K825 PolarHBondContact O-N 3.08Å; V823-K825 VanDerWaalsContact O-N 3.13Å
824E70.2Confident58.9Low85 Ų8591.5 Ų91.540%0.39747%0.467SS..  trans-69.3111.6172.2-171.4152.5-113.900109K665 V780K665-E824 IonicContact NZ-OE1 3.6Å; V780-E824 HydrophobicContact CG1-CB 4.11Å; V780-E824 PolarHBondContact O-N 3.11Å
825K57.8Low56.2Low181 Ų18193.3 Ų93.379%0.78749%0.489SS*.  trans-66.8124.9175.4-72.4-174.7177.6-179.30108V823 V827V823-K825 PolarHBondContact O-N 3.08Å; V823-K825 VanDerWaalsContact O-N 3.13Å; K825-V827 PolarHBondContact O-N 3.16Å; K825-V827 VanDerWaalsContact O-N 3.14Å
826P46.5Very low53.8Low121 Ų12197.5 Ų97.579%0.78652%0.519SS*.  trans-58.2123.5177.423.9-33.1000109A828P826-A828 PolarHBondContact O-N 3.09Å
827V42.3Very low52.1Low125 Ų125102 Ų10276%0.75855%0.547SS*.  trans-62.8113.3-176.3178.50000108.4K825 R829K825-V827 PolarHBondContact O-N 3.16Å; K825-V827 VanDerWaalsContact O-N 3.14Å; V827-R829 HydrophobicContact CG1-CG 4.34Å; V827-R829 PolarHBondContact O-N 3.3Å
828A33.1Very low50.9Low95 Ų95106.9 Ų106.979%0.78557%0.573SS**  trans-71.469.2-177.800000111.7P826 R830P826-A828 PolarHBondContact O-N 3.09Å; A828-R830 PolarHBondContact O-N 3.36Å
829R33.5Very low50.3Low229 Ų229113.9 Ų113.986%0.86460%0.604SS**  trans-62.4104.5170.1-78-173.2171.6175.8-1.9108.7V827 S831V827-R829 HydrophobicContact CG1-CG 4.34Å; V827-R829 PolarHBondContact O-N 3.3Å; R829-S831 PolarHBondContact O-N 2.95Å
830R29.6Very low49.2Very low243 Ų243114.6 Ų114.692%0.91761%0.609SS**  trans-59.2126.7168.4-71.2177.6169.9177.1-4.8109A828A828-R830 PolarHBondContact O-N 3.36Å
831S28.8Very low48.7Very low116 Ų116115.9 Ų115.981%0.81162%0.616SS**SBendtrans58.6101.3167.4-160.50000117.9R829R829-S831 PolarHBondContact O-N 2.95Å
832S29.2Very low48.1Very low103 Ų103118.5 Ų118.572%0.7263%0.633SS**  176157.7117.442.80000111.1I834S832-I834 PolarHBondContact O-N 2.91Å
833R28.3Very low47.6Very low256 Ų256120.2 Ų120.297%0.96664%0.644SS**  trans-82.694.7176.6-67.2178.1-178.3165.5-0.9110.4
834I29.3Very low47.6Very low141 Ų141118 Ų11872%0.72363%0.631SS**  trans-127.4124.5158.6-58.9-179.6000106.8S832S832-I834 PolarHBondContact O-N 2.91Å
835A28.2Very low48Very low79 Ų79114.1 Ų114.165%0.65361%0.613SS**  trans-79.5138.8-178.700000111.6T837A835-T837 PolarHBondContact O-N 3.26Å
836S33.4Very low49.1Very low94 Ų94108.8 Ų108.866%0.65760%0.598SS**  trans27.286.2150.957.90000117.7
837T40.3Very low50.7Low94 Ų94105.6 Ų105.658%0.57758%0.578SS**SBendtrans-117.7-6.7166.358.20000114.3A835A835-T837 PolarHBondContact O-N 3.26Å
838N46.4Very low52.7Low111 Ų11199.7 Ų99.759%0.59454%0.542SS*.SBendtrans-124.828.6-166.9-6626.1000112.4N750N750-N838 PolarHBondContact OD1-O 2.8Å
839E57.6Low55Low150 Ų15095.8 Ų95.870%0.70151%0.508SS*.SBendtrans-106.6135.8171.4-68.8177.8144.300108.4
840S60.5Low57.3Low18 Ų1889.2 Ų89.213%0.12649%0.487CS..  trans-61.4142.6174.355.30000110.6L698 P842L698-S840 VanDerWaalsContact CD2-OG 3.3Å; L698-S840 WeakPolarHBondContact CD2-OG 3.47Å; S840-P842 WeakPolarHBondContact O-CD 3.38Å; S840-P842 VanDerWaalsContact O-N 3.15Å
841D72.7Confident59.7Low67 Ų6778.4 Ų78.436%0.35845%0.448SS..  trans-64.2117.5177-170.7-43.8000110C751 T843 V844 V845C751-D841 PolarHBondContact O-N 3.45Å; C751-D841 VanDerWaalsContact O-N 3.09Å; D841-T843 PolarHBondContact O-N 2.9Å; D841-T843 WeakPolarHBondContact OD1-CA 3.25Å; D841-T843 VanDerWaalsContact OD1-CB 3.31Å; D841-T843 WeakPolarHBondContact OD1-CB 3.29Å; D841-T843 PolarHBondContact OD1-N 3.43Å; D841-T843 PolarHBondContact OD1-OG1 2.79Å; D841-V844 HydrophobicContact CB-CB 4.17Å; D841-V844 HydrophobicContact CB-CG2 3.87Å; D841-V844 PolarHBondContact O-N 3.42Å; D841-V844 VanDerWaalsContact O-N 3.14Å; D841-V845 PolarHBondContact O-N 2.85Å
842P75Confident62.3Low55 Ų5573 Ų7336%0.35741%0.41SS..Hα-helixtrans-65.9-22.1-175.927.5-34.9000112.7S840 S846S840-P842 WeakPolarHBondContact O-CD 3.38Å; S840-P842 VanDerWaalsContact O-N 3.15Å; P842-S846 WeakPolarHBondContact O-CB 3.41Å; P842-S846 PolarHBondContact O-N 3.17Å
843T76.5Confident64.7Low97 Ų9772 Ų7260%0.59539%0.392SS*.Hα-helixtrans-72.2-40.6174.870.80000111.2D841 S846 C847D841-T843 PolarHBondContact O-N 2.9Å; D841-T843 WeakPolarHBondContact OD1-CA 3.25Å; D841-T843 VanDerWaalsContact OD1-CB 3.31Å; D841-T843 WeakPolarHBondContact OD1-CB 3.29Å; D841-T843 PolarHBondContact OD1-N 3.43Å; D841-T843 PolarHBondContact OD1-OG1 2.79Å; T843-S846 PolarHBondContact O-N 2.98Å; T843-C847 WeakPolarHBondContact O-CB 3.39Å; T843-C847 PolarHBondContact O-N 2.86Å
844V80.2Confident67.2Low19 Ų1963.2 Ų63.212%0.11537%0.365CS..Hα-helixtrans-67.1-42.6175.3179.50000110.4D841 S846 C847 L848D841-V844 HydrophobicContact CB-CB 4.17Å; D841-V844 HydrophobicContact CB-CG2 3.87Å; D841-V844 PolarHBondContact O-N 3.42Å; D841-V844 VanDerWaalsContact O-N 3.14Å; V844-S846 PolarHBondContact O-N 3.27Å; V844-C847 PolarHBondContact O-N 2.83Å; V844-L848 HydrophobicContact CG1-CD1 4.01Å; V844-L848 HydrophobicContact CG1-CG 4.48Å; V844-L848 WeakPolarHBondContact O-CB 3.03Å; V844-L848 WeakPolarHBondContact O-CG 3.18Å; V844-L848 PolarHBondContact O-N 3.33Å
845V79.8Confident69.6Low3 Ų357.9 Ų57.92%0.01834%0.337CS..Hα-helixtrans-60.3-44.8174.9173.10000111.4L698 I700 D841 L848 Q849 L873L698-V845 HydrophobicContact CD2-CG2 4.21Å; I700-V845 HydrophobicContact CB-CG1 4.44Å; I700-V845 HydrophobicContact CG2-CG1 3.78Å; D841-V845 PolarHBondContact O-N 2.85Å; V845-L848 PolarHBondContact O-N 2.89Å; V845-Q849 WeakPolarHBondContact O-CG 3.31Å; V845-Q849 PolarHBondContact O-N 3.35Å; V845-L873 HydrophobicContact CB-CD1 4.4Å; V845-L873 HydrophobicContact CG1-CD1 4.03Å
846S80.5Confident72Confident68 Ų6855.1 Ų55.148%0.47631%0.31SS..Hα-helixtrans-65.1-38.1176.8-173.70000112.7P842 T843 V844 Q849 Q850P842-S846 WeakPolarHBondContact O-CB 3.41Å; P842-S846 PolarHBondContact O-N 3.17Å; T843-S846 PolarHBondContact O-N 2.98Å; V844-S846 PolarHBondContact O-N 3.27Å; S846-Q849 PolarHBondContact O-N 3.27Å; S846-Q850 PolarHBondContact O-N 2.91Å; S846-Q850 VanDerWaalsContact O-N 3.09Å
847C80.3Confident74Confident54 Ų5453.6 Ų53.637%0.36530%0.3SS..Hα-helixtrans-62.8-47.7174.5-171.70000111.1T843 V844 Q849 Q850 V851T843-C847 WeakPolarHBondContact O-CB 3.39Å; T843-C847 PolarHBondContact O-N 2.86Å; V844-C847 PolarHBondContact O-N 2.83Å; C847-Q849 VanDerWaalsContact C-N 3.32Å; C847-Q849 PolarHBondContact O-N 3.21Å; C847-Q850 PolarHBondContact O-N 3.42Å; C847-Q850 VanDerWaalsContact O-N 3.1Å; C847-V851 PolarHBondContact O-N 2.8Å
848L82.8Confident75.7Confident2 Ų253.6 Ų53.61%0.0130%0.304CS..Hα-helixtrans-63-35.7177.7-71.8171.1000112.3I700 V747 E754 L757 I808 V844 V845 L852I700-L848 HydrophobicContact CD1-CB 4.28Å; V747-L848 HydrophobicContact CG1-CD1 4.06Å; E754-L848 HydrophobicContact CB-CD2 4.2Å; E754-L848 HydrophobicContact CG-CD2 3.91Å; E754-L848 HydrophobicContact CG-CG 4.34Å; L757-L848 HydrophobicContact CD1-CD2 4.45Å; I808-L848 HydrophobicContact CD1-CD2 4.01Å; V844-L848 HydrophobicContact CG1-CD1 4.01Å; V844-L848 HydrophobicContact CG1-CG 4.48Å; V844-L848 WeakPolarHBondContact O-CB 3.03Å; V844-L848 WeakPolarHBondContact O-CG 3.18Å; V844-L848 PolarHBondContact O-N 3.33Å; V845-L848 PolarHBondContact O-N 2.89Å; L848-L852 WeakPolarHBondContact O-CB 2.99Å; L848-L852 PolarHBondContact O-N 3.04Å; L848-L852 VanDerWaalsContact O-N 3.12Å
849Q82.7Confident76.8Confident12 Ų1254.7 Ų54.76%0.05630%0.303CS..Hα-helixtrans-64.3-38.2171.6-75.6168-2700112.8I700 V845 S846 C847 L852 K853 I868I700-Q849 HydrophobicContact CB-CG 4.14Å; I700-Q849 HydrophobicContact CD1-CG 4.46Å; I700-Q849 PolarHBondContact O-NE2 3.04Å; V845-Q849 WeakPolarHBondContact O-CG 3.31Å; V845-Q849 PolarHBondContact O-N 3.35Å; S846-Q849 PolarHBondContact O-N 3.27Å; C847-Q849 VanDerWaalsContact C-N 3.32Å; C847-Q849 PolarHBondContact O-N 3.21Å; Q849-L852 VanDerWaalsContact O-CB 3.23Å; Q849-L852 WeakPolarHBondContact O-CB 3.45Å; Q849-L852 PolarHBondContact O-N 2.84Å; Q849-K853 PolarHBondContact O-N 2.96Å; Q849-I868 HydrophobicContact CB-CD1 4.46Å; Q849-I868 HydrophobicContact CB-CG2 3.91Å; Q849-I868 HydrophobicContact CG-CG2 3.95Å
850Q80.5Confident77.1Confident91 Ų9150 Ų5043%0.42529%0.287SS..Hα-helixtrans-71.5-43.4177.1-174.357.441.100112.1S846 C847 L852 K853 D854S846-Q850 PolarHBondContact O-N 2.91Å; S846-Q850 VanDerWaalsContact O-N 3.09Å; C847-Q850 PolarHBondContact O-N 3.42Å; C847-Q850 VanDerWaalsContact O-N 3.1Å; Q850-L852 PolarHBondContact O-N 3.48Å; Q850-L852 VanDerWaalsContact O-N 3.17Å; Q850-K853 WeakPolarHBondContact O-CB 3.36Å; Q850-K853 PolarHBondContact O-N 2.96Å; Q850-K853 VanDerWaalsContact O-N 3.09Å; Q850-D854 PolarHBondContact NE2-OD1 3.43Å; Q850-D854 PolarHBondContact O-N 3.04Å
851V81.7Confident76.7Confident17 Ų1752.5 Ų52.510%0.10332%0.316CS..Hα-helixtrans-50.8-38.7169.9160.10000111.5T796 I808 C847 D854 F855T796-V851 HydrophobicContact CG2-CB 4.24Å; T796-V851 HydrophobicContact CG2-CG1 3.51Å; T796-V851 HydrophobicContact CG2-CG2 3.75Å; I808-V851 HydrophobicContact CD1-CG1 4.22Å; I808-V851 HydrophobicContact CD1-CG2 4.47Å; C847-V851 PolarHBondContact O-N 2.8Å; V851-D854 PolarHBondContact O-N 3.28Å; V851-F855 VanDerWaalsContact O-CB 3.31Å; V851-F855 WeakPolarHBondContact O-CB 3.43Å; V851-F855 PolarHBondContact O-N 3.15Å
852L81.7Confident75.4Confident3 Ų353.9 Ų53.92%0.01633%0.329CS..Hα-helixtrans-67.2-43.6179.5-139.9161.1000112.7I700 A701 Y745 L757 L848 Q849 Q850 L856I700-L852 HydrophobicContact CD1-CD1 3.84Å; I700-L852 HydrophobicContact CG1-CD1 4.38Å; A701-L852 HydrophobicContact CB-CD1 4.16Å; Y745-L852 HydrophobicContact CD1-CD1 3.66Å; Y745-L852 HydrophobicContact CD1-CD2 3.61Å; Y745-L852 HydrophobicContact CD1-CG 3.87Å; Y745-L852 HydrophobicContact CD2-CD1 4.46Å; Y745-L852 HydrophobicContact CD2-CD2 4.11Å; Y745-L852 HydrophobicContact CE1-CD1 4.46Å; Y745-L852 HydrophobicContact CE1-CD2 3.57Å; Y745-L852 HydrophobicContact CE1-CG 4.21Å; Y745-L852 HydrophobicContact CE2-CD2 4.11Å; Y745-L852 HydrophobicContact CG-CD1 3.66Å; Y745-L852 HydrophobicContact CG-CD2 3.89Å; Y745-L852 HydrophobicContact CG-CG 4.24Å; L757-L852 HydrophobicContact CD1-CD1 4.5Å; L757-L852 HydrophobicContact CD2-CD1 4.24Å; L848-L852 WeakPolarHBondContact O-CB 2.99Å; L848-L852 PolarHBondContact O-N 3.04Å; L848-L852 VanDerWaalsContact O-N 3.12Å; Q849-L852 VanDerWaalsContact O-CB 3.23Å; Q849-L852 WeakPolarHBondContact O-CB 3.45Å; Q849-L852 PolarHBondContact O-N 2.84Å; Q850-L852 PolarHBondContact O-N 3.48Å; Q850-L852 VanDerWaalsContact O-N 3.17Å; L852-L856 HydrophobicContact CD2-CD1 3.44Å; L852-L856 VanDerWaalsContact CD2-CD1 3.44Å; L852-L856 HydrophobicContact CD2-CG 4.1Å; L852-L856 VanDerWaalsContact O-CB 3.32Å; L852-L856 WeakPolarHBondContact O-CB 2.98Å; L852-L856 WeakPolarHBondContact O-CG 3.23Å; L852-L856 PolarHBondContact O-N 3.01Å
853K80.9Confident74.2Confident80 Ų8060.8 Ų60.835%0.34836%0.357SS..Hα-helixtrans-60.7-46.4171.8-93.1172.9163.3170.20111.7Q849 Q850 L856 S857 L866 I868Q849-K853 PolarHBondContact O-N 2.96Å; Q850-K853 WeakPolarHBondContact O-CB 3.36Å; Q850-K853 PolarHBondContact O-N 2.96Å; Q850-K853 VanDerWaalsContact O-N 3.09Å; K853-L856 PolarHBondContact O-N 3.29Å; K853-S857 WeakPolarHBondContact O-CB 3.17Å; K853-S857 PolarHBondContact O-N 2.9Å; K853-S857 PolarHBondContact O-OG 2.91Å; K853-L866 HydrophobicContact CG-CD1 4.31Å; K853-I868 HydrophobicContact CD-CD1 3.97Å; K853-I868 HydrophobicContact CG-CD1 3.87Å
854D79.6Confident73.3Confident72 Ų7258.3 Ų58.339%0.38534%0.34SS..Hα-helixtrans-65.8-42.5-178.5-67.3-7.7000111.2Q850 V851 S857 S858Q850-D854 PolarHBondContact NE2-OD1 3.43Å; Q850-D854 PolarHBondContact O-N 3.04Å; V851-D854 PolarHBondContact O-N 3.28Å; D854-S857 PolarHBondContact O-OG 2.97Å; D854-S857 VanDerWaalsContact O-OG 3.1Å; D854-S858 PolarHBondContact O-N 2.95Å
855F80.8Confident72.2Confident30 Ų3063.2 Ų63.213%0.13237%0.365CS..Hα-helixtrans-65.6-40174.4172.5-108.6000113.7I794 L810 V851 S858 K859I794-F855 HydrophobicContact CB-CD2 4.41Å; I794-F855 HydrophobicContact CD1-CB 4.42Å; I794-F855 HydrophobicContact CD1-CD1 3.87Å; I794-F855 HydrophobicContact CD1-CD2 4.16Å; I794-F855 HydrophobicContact CD1-CE1 4.14Å; I794-F855 HydrophobicContact CD1-CE2 4.4Å; I794-F855 HydrophobicContact CD1-CG 3.88Å; I794-F855 HydrophobicContact CD1-CZ 4.38Å; I794-F855 HydrophobicContact CG1-CD1 4.46Å; I794-F855 HydrophobicContact CG1-CD2 3.93Å; I794-F855 HydrophobicContact CG1-CE1 4.48Å; I794-F855 HydrophobicContact CG1-CE2 3.95Å; I794-F855 HydrophobicContact CG1-CG 4.18Å; I794-F855 HydrophobicContact CG1-CZ 4.23Å; I794-F855 HydrophobicContact CG2-CB 4.06Å; I794-F855 HydrophobicContact CG2-CD2 3.77Å; I794-F855 HydrophobicContact CG2-CG 4.05Å; L810-F855 HydrophobicContact CD2-CE1 4.2Å; L810-F855 HydrophobicContact CD2-CZ 4.48Å; V851-F855 VanDerWaalsContact O-CB 3.31Å; V851-F855 WeakPolarHBondContact O-CB 3.43Å; V851-F855 PolarHBondContact O-N 3.15Å; F855-S858 PolarHBondContact O-OG 2.8Å; F855-K859 HydrophobicContact CE1-CD 4.41Å; F855-K859 HydrophobicContact CE2-CD 4.18Å; F855-K859 HydrophobicContact CZ-CD 3.84Å; F855-K859 PolarHBondContact O-N 2.94Å
856L77.4Confident71.3Confident20 Ų2064.2 Ų64.211%0.10537%0.37CS..Hα-helixtrans-74-44.1-178.2-80.1177.5000112.3Y745 L852 K853 S858 K859 S860 I864 L866Y745-L856 HydrophobicContact CE2-CD1 4.33Å; L852-L856 HydrophobicContact CD2-CD1 3.44Å; L852-L856 VanDerWaalsContact CD2-CD1 3.44Å; L852-L856 HydrophobicContact CD2-CG 4.1Å; L852-L856 VanDerWaalsContact O-CB 3.32Å; L852-L856 WeakPolarHBondContact O-CB 2.98Å; L852-L856 WeakPolarHBondContact O-CG 3.23Å; L852-L856 PolarHBondContact O-N 3.01Å; K853-L856 PolarHBondContact O-N 3.29Å; L856-S858 VanDerWaalsContact C-N 3.27Å; L856-S858 PolarHBondContact O-N 2.94Å; L856-K859 PolarHBondContact O-N 3.09Å; L856-S860 PolarHBondContact O-N 3.08Å; L856-S860 PolarHBondContact O-OG 3.48Å; L856-S860 VanDerWaalsContact O-OG 3.12Å; L856-I864 HydrophobicContact CB-CD1 3.83Å; L856-I864 HydrophobicContact CD2-CD1 4.25Å; L856-I864 HydrophobicContact CG-CD1 4.46Å; L856-L866 HydrophobicContact CB-CD1 4.49Å; L856-L866 HydrophobicContact CD1-CD1 3.6Å; L856-L866 HydrophobicContact CD1-CD2 3.75Å; L856-L866 HydrophobicContact CD1-CG 4.26Å
857S76.1Confident70.7Confident63 Ų6365.9 Ų65.944%0.44137%0.371SS..Hα-helixtrans-59.7-36.8174.755.70000112.3K853 D854 K859 G861K853-S857 WeakPolarHBondContact O-CB 3.17Å; K853-S857 PolarHBondContact O-N 2.9Å; K853-S857 PolarHBondContact O-OG 2.91Å; D854-S857 PolarHBondContact O-OG 2.97Å; D854-S857 VanDerWaalsContact O-OG 3.1Å; S857-K859 PolarHBondContact O-N 2.63Å; S857-G861 PolarHBondContact O-N 2.95Å
858S75.6Confident69.8Low93 Ų9364.6 Ų64.665%0.6536%0.36SS*.Hα-helixtrans-66.8-19.8174.380.40000114.3D854 F855 L856D854-S858 PolarHBondContact O-N 2.95Å; F855-S858 PolarHBondContact O-OG 2.8Å; L856-S858 VanDerWaalsContact C-N 3.27Å; L856-S858 PolarHBondContact O-N 2.94Å
859K70.7Confident68.4Low135 Ų13566.1 Ų66.159%0.58737%0.37SS*.Hα-helixtrans-98.4-25.7177.7-85.2-164.6176.3-173.70114.3F855 L856 S857F855-K859 HydrophobicContact CE1-CD 4.41Å; F855-K859 HydrophobicContact CE2-CD 4.18Å; F855-K859 HydrophobicContact CZ-CD 3.84Å; F855-K859 PolarHBondContact O-N 2.94Å; L856-K859 PolarHBondContact O-N 3.09Å; S857-K859 PolarHBondContact O-N 2.63Å
860S62.2Low66.6Low50 Ų5072.5 Ų72.535%0.3541%0.405SS..Hα-helixtrans-96.6-31.6-174.858.60000114.6L856 C862 I864L856-S860 PolarHBondContact O-N 3.08Å; L856-S860 PolarHBondContact O-OG 3.48Å; L856-S860 VanDerWaalsContact O-OG 3.12Å; S860-C862 PolarHBondContact O-N 3.14Å; S860-C862 PolarHBondContact OG-N 3.18Å; S860-C862 PolarHBondContact OG-O 3.08Å; S860-I864 VanDerWaalsContact CB-CD1 3.48Å
861G53.3Low64.5Low72 Ų7271.2 Ų71.274%0.74241%0.406SS*.SBendtrans65.39-169.700000114.6S857S857-G861 PolarHBondContact O-N 2.95Å
862C44.4Very low62.4Low95 Ų9574.8 Ų74.864%0.64243%0.43SS*.SBendtrans-144151.4179.3-770000109.6S860 I864S860-C862 PolarHBondContact O-N 3.14Å; S860-C862 PolarHBondContact OG-N 3.18Å; S860-C862 PolarHBondContact OG-O 3.08Å; C862-I864 PolarHBondContact O-N 3.37Å
863E50.4Low60.3Low200 Ų20078 Ų7894%0.93545%0.447SS*.  trans-65.8117.6178.9-165.9161-141.800110.2
864I57.5Low57.8Low46 Ų4680.3 Ų80.324%0.23646%0.463CS..  trans-91.2123.6-177.9-58.4-178.9000108.4Y703 L856 S860 C862 L866Y703-I864 HydrophobicContact CD2-CG2 3.49Å; Y703-I864 VanDerWaalsContact CD2-CG2 3.49Å; Y703-I864 HydrophobicContact CE2-CG2 3.28Å; L856-I864 HydrophobicContact CB-CD1 3.83Å; L856-I864 HydrophobicContact CD2-CD1 4.25Å; L856-I864 HydrophobicContact CG-CD1 4.46Å; S860-I864 VanDerWaalsContact CB-CD1 3.48Å; C862-I864 PolarHBondContact O-N 3.37Å; I864-L866 HydrophobicContact CB-CD1 4.27Å; I864-L866 HydrophobicContact CB-CG 4.27Å; I864-L866 HydrophobicContact CG2-CD1 4.35Å; I864-L866 HydrophobicContact CG2-CD2 4.27Å; I864-L866 HydrophobicContact CG2-CG 3.9Å; I864-L866 PolarHBondContact O-N 2.92Å
865D58.1Low55.4Low122 Ų12283.9 Ų83.965%0.65248%0.477SS*.  trans-6894175.9-162.27.8000110.4
866L60.9Low52.7Low23 Ų2388.5 Ų88.512%0.1251%0.513CS..EExtended strand (participates in β ladder)trans-112.7118.4-176.6-72.6160.2000108.8Y703 K853 L856 I864 I868Y703-L866 HydrophobicContact CD2-CD2 4.18Å; Y703-L866 HydrophobicContact CG-CD2 4.46Å; K853-L866 HydrophobicContact CG-CD1 4.31Å; L856-L866 HydrophobicContact CB-CD1 4.49Å; L856-L866 HydrophobicContact CD1-CD1 3.6Å; L856-L866 HydrophobicContact CD1-CD2 3.75Å; L856-L866 HydrophobicContact CD1-CG 4.26Å; I864-L866 HydrophobicContact CB-CD1 4.27Å; I864-L866 HydrophobicContact CB-CG 4.27Å; I864-L866 HydrophobicContact CG2-CD1 4.35Å; I864-L866 HydrophobicContact CG2-CD2 4.27Å; I864-L866 HydrophobicContact CG2-CG 3.9Å; I864-L866 PolarHBondContact O-N 2.92Å; L866-I868 HydrophobicContact CB-CD1 4.23Å; L866-I868 HydrophobicContact CB-CG1 4.12Å; L866-I868 PolarHBondContact O-N 2.81Å
867Q67.4Low50.2Low104 Ų10495.5 Ų95.549%0.48654%0.542SS..EExtended strand (participates in β ladder)trans-69.5118.9167.3-64.9-166.66.600108.7A701 I702 I777A701-Q867 WeakPolarHBondContact CA-O 3.47Å; I702-Q867 PolarHBondContact N-O 3.16Å; I702-Q867 PolarHBondContact O-N 2.9Å; I702-Q867 VanDerWaalsContact O-N 3.07Å; I777-Q867 VanDerWaalsContact CD1-C 3.42Å; I777-Q867 HydrophobicContact CD1-CB 3.74Å; I777-Q867 WeakPolarHBondContact CD1-O 3.18Å
868I61.4Low47.8Very low27 Ų2797.1 Ų97.114%0.13855%0.553CS.*EExtended strand (participates in β ladder)trans-135.5138.7178.6-62.7-169.3000108.4A701 Q849 K853 L866 N870A701-I868 HydrophobicContact CB-CD1 4.46Å; A701-I868 HydrophobicContact CB-CG1 4.02Å; Q849-I868 HydrophobicContact CB-CD1 4.46Å; Q849-I868 HydrophobicContact CB-CG2 3.91Å; Q849-I868 HydrophobicContact CG-CG2 3.95Å; K853-I868 HydrophobicContact CD-CD1 3.97Å; K853-I868 HydrophobicContact CG-CD1 3.87Å; L866-I868 HydrophobicContact CB-CD1 4.23Å; L866-I868 HydrophobicContact CB-CG1 4.12Å; L866-I868 PolarHBondContact O-N 2.81Å; I868-N870 PolarHBondContact O-N 2.88Å; I868-N870 VanDerWaalsContact O-N 3.13Å
869S53.8Low45.3Very low33 Ų33101 Ų10123%0.23157%0.566CS.*  trans-76.197.5179-178.60000110.9S871S869-S871 PolarHBondContact O-N 3.23Å; S869-S871 PolarHBondContact OG-O 3.02Å; S869-S871 VanDerWaalsContact OG-O 3.11Å
870N43.9Very low43.1Very low146 Ų14699.7 Ų99.778%0.78157%0.57SS**  trans-73.4-1177-68.3-17.3000114.1I868I868-N870 PolarHBondContact O-N 2.88Å; I868-N870 VanDerWaalsContact O-N 3.13Å
871S37.5Very low41.3Very low64 Ų64103.3 Ų103.345%0.44859%0.592SS.*SBendtrans-105.4145.2172.651.30000111.6S869S869-S871 PolarHBondContact O-N 3.23Å; S869-S871 PolarHBondContact OG-O 3.02Å; S869-S871 VanDerWaalsContact OG-O 3.11Å
872P36.7Very low40Very low92 Ų92104 Ų10460%0.59759%0.59SS**  trans-61.2143.3168.427.8-34.2000109.7N874P872-N874 PolarHBondContact O-N 2.72Å
873L38.7Very low39Very low72 Ų72104.2 Ų104.238%0.37759%0.593SS.*SBendtrans-71.368-171.4-74.3142.7000112.8V845V845-L873 HydrophobicContact CB-CD1 4.4Å; V845-L873 HydrophobicContact CG1-CD1 4.03Å
874N26.3Very low37.9Very low128 Ų128102.3 Ų102.368%0.68459%0.589SS**  trans-129.453.9-176.3-93-35000111.8P872P872-N874 PolarHBondContact O-N 2.72Å
875H29.4Very low36.4Very low147 Ų147105.9 Ų105.968%0.68161%0.614SS**  trans-130.682.5177.9-85.3-6.9000113.3K877H875-K877 PolarHBondContact O-N 2.87Å
876S25.4Very low34.8Very low127 Ų127104.5 Ų104.589%0.88861%0.614SS**  trans-67.657.2159.846.20000112.2S878S876-S878 PolarHBondContact O-N 3.04Å; S876-S878 VanDerWaalsContact O-N 3.17Å
877K24.9Very low33.2Very low167 Ų167111.3 Ų111.373%0.72664%0.644SS**  trans-77100.4169.6-76.3-171.2177.8179.40109.4H875 L879H875-K877 PolarHBondContact O-N 2.87Å; K877-L879 PolarHBondContact O-N 3.04Å
878S25Very low31.4Very low96 Ų96112 Ų11267%0.67166%0.661SS**  trans-55.2129.3168.154.30000110.5S876 T880S876-S878 PolarHBondContact O-N 3.04Å; S876-S878 VanDerWaalsContact O-N 3.17Å; S878-T880 VanDerWaalsContact C-N 3.28Å; S878-T880 PolarHBondContact O-N 3.21Å
879L24.5Very low29.7Very low174 Ų174117.1 Ų117.191%0.91169%0.694SS**  trans-68.986.2168.4-81.8136.3000109.9K877K877-L879 PolarHBondContact O-N 3.04Å
880T23.8Very low28.4Very low109 Ų109118.7 Ų118.767%0.66972%0.715SS**  trans-63.4131.9156.946.80000108.3S878 A882S878-T880 VanDerWaalsContact C-N 3.28Å; S878-T880 PolarHBondContact O-N 3.21Å; T880-A882 PolarHBondContact O-N 3.41Å
881P24Very low27.6Very low125 Ų125118 Ų11881%0.81272%0.716SS**  trans-65.1118.8174.327.4-32.9000109.1S883P881-S883 PolarHBondContact O-N 3.22Å; P881-S883 VanDerWaalsContact O-N 3.07Å
882A25.6Very low27.1Very low86 Ų86117.7 Ų117.771%0.71172%0.723SS**  trans-68.2107.2-179.600000110.4T880 N884T880-A882 PolarHBondContact O-N 3.41Å; A882-N884 PolarHBondContact O-N 3.46Å; A882-N884 VanDerWaalsContact O-N 3.13Å
883S24.6Very low26.6Very low101 Ų101121 Ų12171%0.70673%0.734SS**  trans-72.497.6173.9520000110.3P881 T885P881-S883 PolarHBondContact O-N 3.22Å; P881-S883 VanDerWaalsContact O-N 3.07Å; S883-T885 VanDerWaalsContact C-N 3.34Å; S883-T885 PolarHBondContact O-N 2.93Å
884N25.6Very low26.1Very low159 Ų159122.8 Ų122.885%0.8575%0.753SS**  trans-75.383.1178.8-82.7-8.4000112.3A882A882-N884 PolarHBondContact O-N 3.46Å; A882-N884 VanDerWaalsContact O-N 3.13Å
885T26.1Very low26.2Very low122 Ų122121.8 Ų121.875%0.74876%0.756SS**  trans-144.4126.6166.249.40000106.7S883S883-T885 VanDerWaalsContact C-N 3.34Å; S883-T885 PolarHBondContact O-N 2.93Å
886S26.1Very low26.2Very low93 Ų93122 Ų12265%0.6576%0.761SS**  cis-142.2175239.90000107.5
887H27.4Very low26.3Very low166 Ų166124.2 Ų124.277%0.76976%0.762SS**  cis-150.1150.131.2-67.2-106.3000112.2
888S27.8Very low26.6Very low119 Ų119127.2 Ų127.283%0.83277%0.769SS**  trans-152.8104.3148.2-176.60000108.5G890S888-G890 PolarHBondContact O-N 3.14Å
889T25.6Very low26.6Very low134 Ų134125.8 Ų125.882%0.82277%0.769SS**  trans-82.666-178.645.40000111.2
890G28.4Very low26.8Very low66 Ų66123.6 Ų123.668%0.6877%0.769SS**  trans-90.793.2168.700000110.9S888 G892S888-G890 PolarHBondContact O-N 3.14Å; G890-G892 VanDerWaalsContact C-N 3.32Å; G890-G892 PolarHBondContact O-N 3.23Å
891V25.9Very low27.1Very low132 Ų132125.1 Ų125.180%0.877%0.771SS**  trans-76.782.7177.2-176.80000109.8
892G27.9Very low27.4Very low57 Ų57122.1 Ų122.159%0.58876%0.763SS**  trans-82.4110.7174.300000111.9G890 S894G890-G892 VanDerWaalsContact C-N 3.32Å; G890-G892 PolarHBondContact O-N 3.23Å; G892-S894 VanDerWaalsContact C-N 3.34Å; G892-S894 PolarHBondContact O-N 3.34Å
893L26.2Very low27.3Very low162 Ų162129.8 Ų129.885%0.84877%0.773SS**  trans-7875.9177.2-71.9169.2000111.8
894S28.4Very low27.5Very low109 Ų109131.1 Ų131.176%0.76278%0.777SS**  trans-128.58.5178.758.70000114.8G892G892-S894 VanDerWaalsContact C-N 3.34Å; G892-S894 PolarHBondContact O-N 3.34Å
895S27.7Very low27.4Very low107 Ų107132.2 Ų132.275%0.74878%0.777SS**SBendtrans-93.51.8-174.653.10000116
896L28.5Very low27.5Very low151 Ų151131.5 Ų131.579%0.79178%0.777SS**SBendtrans-120.20.6-169-78171.1000116.6
897L27.5Very low27.3Very low173 Ų173132.8 Ų132.891%0.90678%0.781SS**  trans-130.768.5-179.3-69.7175.5000112.3
898R31.7Very low27.4Very low231 Ų231129.9 Ų129.987%0.87278%0.777SS**  trans-142.864.2168.5-157.2174.7-65-1382.3112.5
899G26.3Very low27.3Very low66 Ų66130.3 Ų130.368%0.6877%0.774SS**  trans-68.6139.6168.100000112.2I901G899-I901 PolarHBondContact O-N 3.43Å
900S27.1Very low27.4Very low128 Ų128131.5 Ų131.590%0.89577%0.77SS**  trans39.574.7149.3-560000119.5
901I31.4Very low27.2Very low140 Ų140134.7 Ų134.772%0.71878%0.777SS**  trans-117.4142.4148.5-66.4-176.3000109.2G899G899-I901 PolarHBondContact O-N 3.43Å
902G29.1Very low27.3Very low62 Ų62134.3 Ų134.364%0.63977%0.774SS**  trans-62.3136.3-160.800000115.9V904G902-V904 PolarHBondContact O-N 2.91Å
903R23.7Very low27.3Very low248 Ų248138.4 Ų138.494%0.93678%0.781SS**  trans-74.365.4176.4-165.7-175-167.6-179.35.3111.9Q905R903-Q905 PolarHBondContact O-N 2.91Å
904V29Very low27.3Very low129 Ų129139.9 Ų139.978%0.78278%0.784SS**  trans-67.1123.7173.1178.90000109.2G902 S906G902-V904 PolarHBondContact O-N 2.91Å; V904-S906 PolarHBondContact O-N 2.77Å
905Q24.1Very low27.3Very low182 Ų182140.5 Ų140.585%0.8578%0.784SS**  trans-77.3101.7178.2-67.3176.2-12.900110.3R903R903-Q905 PolarHBondContact O-N 2.91Å
906S27.1Very low27.3Very low106 Ų106139.9 Ų139.974%0.74179%0.785SS**  trans-103.5109.5162.249.30000109.4V904 P908V904-S906 PolarHBondContact O-N 2.77Å; S906-P908 VanDerWaalsContact O-CD 3.24Å; S906-P908 WeakPolarHBondContact O-CD 3.35Å
907T23.1Very low27.1Very low120 Ų120142.8 Ų142.874%0.73679%0.791SS**  trans-78.8116.4-179.848.40000111.4V909T907-V909 PolarHBondContact O-N 2.78Å
908P29.9Very low27.1Very low105 Ų105142 Ų14268%0.68279%0.786SS**  trans-75.2118.215931.2-30.4000108.4S906 H910S906-P908 VanDerWaalsContact O-CD 3.24Å; S906-P908 WeakPolarHBondContact O-CD 3.35Å; P908-H910 PolarHBondContact O-N 3.24Å
909V24Very low26.9Very low128 Ų128136.2 Ų136.278%0.77678%0.781SS**  trans-73.495174178.10000108.6T907T907-V909 PolarHBondContact O-N 2.78Å
910H28.3Very low26.9Very low159 Ų159139.2 Ų139.274%0.73679%0.786SS**  trans-82.8115.1161-91.1-79.8000109.1P908 T912P908-H910 PolarHBondContact O-N 3.24Å; H910-T912 PolarHBondContact O-N 2.85Å; H910-T912 PolarHBondContact O-OG1 3.38Å
911T24.6Very low26.9Very low134 Ų134138.7 Ų138.782%0.82278%0.783SS**  trans-68.883.4165130000109.3I913T911-I913 PolarHBondContact O-N 2.97Å
912T27.5Very low26.6Very low123 Ų123138.4 Ų138.476%0.75578%0.782SS**  trans-66.9121172.3-27.60000108.9H910 E914H910-T912 PolarHBondContact O-N 2.85Å; H910-T912 PolarHBondContact O-OG1 3.38Å; T912-E914 PolarHBondContact O-N 3.15Å
913I29.2Very low26.5Very low143 Ų143144.9 Ų144.973%0.73380%0.796SS**  trans-71.5116.4170.1-65.7173.7000107.6T911 T915T911-I913 PolarHBondContact O-N 2.97Å; I913-T915 HydrophobicContact CG2-CG2 4.16Å; I913-T915 PolarHBondContact O-N 3.49Å; I913-T915 VanDerWaalsContact O-N 3.11Å
914E24.7Very low26.6Very low193 Ų193140 Ų14090%0.90279%0.788SS**  trans-72.497.7167.1-68.4-169136.300109.8T912T912-E914 PolarHBondContact O-N 3.15Å
915T29.3Very low26.6Very low123 Ų123139 Ų13976%0.75579%0.787SS**PPolyproline II helixtrans-103116.2156.838.60000108.9I913I913-T915 HydrophobicContact CG2-CG2 4.16Å; I913-T915 PolarHBondContact O-N 3.49Å; I913-T915 VanDerWaalsContact O-N 3.11Å
916A28Very low26.8Very low93 Ų93136 Ų13677%0.76979%0.786SS**PPolyproline II helixtrans-62.3141-174.100000112.3I918A916-I918 PolarHBondContact O-N 3.31Å
917K23Very low26.7Very low213 Ų213136.1 Ų136.193%0.92679%0.787SS**PPolyproline II helixtrans-68.7116166-67.5177.3-179.5175.50108.8
918I27.8Very low27.1Very low155 Ų155137.9 Ų137.980%0.79579%0.79SS**  trans-117.2115.1157.7-62.8-178.4000107A916A916-I918 PolarHBondContact O-N 3.31Å
919S27.7Very low27Very low110 Ų110139.5 Ų139.577%0.76979%0.792SS**  trans-74.6127.5175.246.80000110.4S921S919-S921 PolarHBondContact O-N 3.02Å
920T25.6Very low27Very low130 Ų130140 Ų14080%0.79879%0.79SS**  trans-77.9114173.150.30000110.9
921S28.1Very low27Very low117 Ų117140.2 Ų140.282%0.81880%0.795SS**  trans-75.1136.115646.80000109.7S919S919-S921 PolarHBondContact O-N 3.02Å
922L25.3Very low27.1Very low133 Ų133139.5 Ų139.570%0.69679%0.791SS**  trans-77.7138.5164.6-93.268.7000109.2
923E27.6Very low26.9Very low199 Ų199139.1 Ų139.193%0.9379%0.792SS**  trans-136.7151.6132.9-73.6-155137.700108.8
924N24.5Very low27Very low145 Ų145137.2 Ų137.278%0.77579%0.789SS**  trans-119.2133.5-174.4-68.7-60.4000110.7
925S29.6Very low27Very low109 Ų109133.4 Ų133.476%0.76278%0.784SS**  trans-155.2113.6153.161.50000113.2
926S28.8Very low27.2Very low118 Ų118133 Ų13383%0.82578%0.783SS**  trans39.3113.7146.555.90000120.7
927S24.8Very low27.1Very low109 Ų109135.5 Ų135.576%0.76279%0.789SS**  trans-61.1156.1153.954.20000114.1
928I30.3Very low27.5Very low156 Ų156133.8 Ų133.880%0.878%0.784SS**  -162.1132.2129.7-106.6157.5000113.1
929L28.4Very low27.3Very low139 Ų139131.2 Ų131.273%0.72878%0.78SS**  trans39.1113.7155.2-59.9173.1000123.5
930N24.2Very low27.2Very low138 Ų138133.4 Ų133.474%0.73878%0.78SS**  46.2114.6115.8-65.11.5000121.4
931I29.1Very low27.5Very low164 Ų164135.4 Ų135.484%0.84179%0.785SS**  178.2156.7103.6-94.3148.7000112.4
932T26.5Very low27.3Very low119 Ų119138.3 Ų138.373%0.7378%0.783SS**  trans-36.1133.7-169.455.50000121.7
933C23.1Very low27.6Very low115 Ų115141.4 Ų141.478%0.77779%0.794SS**  3.4161.6118.6-64.60000120.6
934P31.2Very low27.7Very low103 Ų103135 Ų13567%0.66978%0.782SS**  cis-147153-23.936.7-17.1000117.6
935S24.8Very low27.7Very low114 Ų114136 Ų13680%0.79779%0.786SS**  trans70.3175.9141.680.40000118.2
936P32.3Very low28Very low114 Ų114136 Ų13674%0.7478%0.783SS**  -138159.1-96.638-18.4000116.8
937T27.5Very low27.8Very low146 Ų146137.9 Ų137.990%0.89678%0.783SS**  trans-148.5166.3161.17.20000112.7
938E29.4Very low27.8Very low177 Ų177140.5 Ų140.583%0.82778%0.781SS**  trans-82.9138.5-159.4-63.9162.4113.400115.3
939S25.5Very low27.6Very low101 Ų101140 Ų14071%0.70678%0.775SS**  trans50.7134.7135.875.10000122.7
940M25.6Very low27.4Very low155 Ų155141.9 Ų141.976%0.76478%0.78SS**  trans74.595.7144.6-58.2-107.66400119
941L30.4Very low27.5Very low172 Ų172142.4 Ų142.490%0.90178%0.783SS**  -157.1141.5109.5-107.9163.1000111
942K25.3Very low27.3Very low179 Ų179144.1 Ų144.178%0.77879%0.785SS**  trans-112.3144.4173.7-82.9-174.4174.5-178.30109.8
943Q31.3Very low27.3Very low197 Ų197145 Ų14592%0.92179%0.79SS**  trans-126.5157147.2-69.5-170.5-11.200108.7
944G29.8Very low27.6Very low66 Ų66144.8 Ų144.868%0.6879%0.788SS**  trans-73.6159.4-170.100000114.5
945L24.8Very low27.3Very low164 Ų164147.2 Ų147.286%0.85979%0.793SS**  cis61.6144.948.8-70.5176.5000112.8
946P35.4Very low27.4Very low109 Ų109150.2 Ų150.271%0.70879%0.792SS**  cis-140.7162.428.939.2-20.7000118.4
947L24.6Very low27Very low158 Ų158154.5 Ų154.583%0.82779%0.793SS**  174.1158.5112.3-92167.3000112.1
948K23.4Very low27.1Very low164 Ų164155.2 Ų155.271%0.71378%0.784SS**  trans65147-167.5-70.7173.8154.6-79.10114.1
949E26.2Very low27Very low145 Ų145152.1 Ų152.168%0.67878%0.777SS**  cis-137.8-165.3-4.3-151.7106.8-119.100110.3
950Q26Very low27Very low179 Ų179152.9 Ų152.984%0.83678%0.783SS**  trans-84152.5-165.2-60.2163.2-13.600114.9
951D24.5Very low27.1Very low149 Ų149151 Ų15180%0.79778%0.78SS**  trans-159.2171.6141.6-136.8-30.3000113.8
952F25.5Very low27.2Very low201 Ų201149.1 Ų149.188%0.88278%0.776SS**  trans-76.2159.2-167.4-80.2-108000116.4
953T26.2Very low27.4Very low136 Ų136146.2 Ų146.283%0.83477%0.773SS**  trans-121.4143.6-176.756.40000114
954P29.9Very low27.5Very low112 Ų112143.7 Ų143.773%0.72777%0.772SS**  trans-126.4110.9171.733.7-17.9000117.4
955I25.5Very low27.3Very low154 Ų154147.9 Ų147.979%0.7978%0.778SS**  trans68.2139.4137.8-29.7167.5000121.1
956K25.3Very low27.5Very low177 Ų177145.6 Ų145.677%0.7778%0.775SS**  trans101136.7160-57.2178.4-173.9163.90113.9
957R24.9Very low27.1Very low203 Ų203147.8 Ų147.877%0.76678%0.775SS**  cis-162.9165.917.3-138167.7-179.4168.4-0.6114
958F28.7Very low27.4Very low162 Ų162148 Ų14871%0.71177%0.772SS**  trans73.8103.2156.5-80.9-70.1000122.7
959V27.4Very low27.5Very low111 Ų111144.1 Ų144.167%0.67377%0.766SS**  64.8129.1122.4164.70000122T961V959-T961 HydrophobicContact CG1-CG2 3.95Å
960S27.1Very low27.7Very low118 Ų118144.1 Ų144.183%0.82577%0.77SS**  trans-121.2152.6145.7540000109.7
961T27.5Very low27.9Very low116 Ų116141 Ų14171%0.71276%0.759SS**  trans-153.3130.5-176.239.60000112.4V959V959-T961 HydrophobicContact CG1-CG2 3.95Å
962T32.4Very low28.2Very low131 Ų131139.7 Ų139.780%0.80475%0.752SS**  trans-168.9110.4154.332.90000106.4
963T28.8Very low28.4Very low119 Ų119137.2 Ų137.273%0.7375%0.748SS**  73.5103.367.562.90000115.5
964T33.3Very low28.5Very low144 Ų144136.9 Ų136.988%0.88375%0.745SS**  -165155.4127.120.10000109.7
965D26.4Very low28.8Very low154 Ų154136.2 Ų136.282%0.82474%0.741SS**  trans-104.5-171.7-164.5-63-81.4000114.7
966C28.9Very low29Very low115 Ų115138 Ų13878%0.77774%0.743SS**  trans102.897.2159-650000119.7
967E26.9Very low29.1Very low155 Ų155135.5 Ų135.572%0.72474%0.743SS**  85144.5118.4-77.2-157-169.400124
968Q29.9Very low29.1Very low162 Ų162131.7 Ų131.776%0.75774%0.742SS**  trans66.3161.2156.4-69.9170.151.900119.6
969S26.8Very low29.1Very low83 Ų83130.5 Ų130.558%0.5875%0.748SS**  -169170.4-57.456.70000109.2
970L30.7Very low29.2Very low146 Ų146130.6 Ų130.676%0.76475%0.753SS**  trans65.6155169.2-86.178000116.4
971N30Very low29.9Very low114 Ų114131.2 Ų131.261%0.6175%0.754SS**  cis-153.2144.2-23.5-131.50.1000113
972N29.8Very low30Very low121 Ų121136.2 Ų136.265%0.64776%0.761SS**  trans42.6123.2135.1-70.8-9.8000123.7
973N30.3Very low30Very low149 Ų149135.8 Ų135.880%0.79776%0.759SS**  116.4146.5124.8-72.4-13.5000121.2
974T28.1Very low30Very low128 Ų128140.9 Ų140.979%0.78577%0.765SS**  trans-106.8-175.2-178.259.40000108.3
975P37Very low29.9Very low98 Ų98140.6 Ų140.664%0.63676%0.763SS**  cis-150.3175.615.544.6-23.7000120.2
976K28.6Very low30Very low191 Ų191140 Ų14083%0.8376%0.759SS**  trans57.8118.6143.4-75.4166.2179.2178.10121.3
977T27.2Very low30.7Very low125 Ų125139.7 Ų139.777%0.76776%0.756SS**  149.7109.9111.1-58.50000115.1
978V26.4Very low30.9Very low123 Ų123138.6 Ų138.675%0.74576%0.755SS**  trans24.4124.3139.3-174.50000121
979T28.2Very low31Very low138 Ų138142 Ų14285%0.84776%0.761SS**  -162.3153.2123.80.90000113.6
980C28Very low31.3Very low113 Ų113143.8 Ų143.876%0.76477%0.773SS**  trans-122.4155.8170.2-53.20000109.9
981P42.1Very low31.4Very low131 Ų131141.5 Ų141.585%0.85178%0.775SS**  trans-98.1159.5162.834.5-28.5000113.5
982Y30.3Very low31.5Very low220 Ų220141.1 Ų141.186%0.86378%0.781SS**  trans-107157.4-175.8-102.7-110000112
983T31.7Very low31.6Very low123 Ų123146.5 Ų146.576%0.75579%0.793SS**  178.2137109.327.70000115.7
984R30.3Very low31.5Very low226 Ų226146 Ų14685%0.85380%0.795SS**  trans42.1143.6136.8-63.9-178.1177.9173.90.1121
985T31.2Very low31.4Very low137 Ų137143.4 Ų143.484%0.8479%0.794SS**  cis-152.3176.612.7-120000114.2
986L27.2Very low31.1Very low142 Ų142145.5 Ų145.574%0.74380%0.799SS**  trans-99.5174.7-171.3-103.3164.4000112.1
987P43Very low31Very low109 Ų109142 Ų14271%0.70880%0.798SS**  -157.4146.255.941.1-17.3000122.9
988N32.3Very low31.2Very low132 Ų132145.6 Ų145.671%0.70680%0.798SS**  trans53.5127.6130.6-57.5-19000124.3
989R31.7Very low31.2Very low234 Ų234149.7 Ų149.788%0.88381%0.806SS**  -170.813594.1-107-172.8178.3-161.31115.5
990S32.6Very low31.4Very low119 Ų119149.2 Ų149.283%0.83280%0.803SS**  trans59.8147.2154.452.20000119.9
991A34.1Very low31.4Very low98 Ų98153.6 Ų153.681%0.8180%0.803SS**  cis-142.9173.59.300000114
992S32Very low30.7Very low106 Ų106154.2 Ų154.274%0.74180%0.804SS**  trans-69175.117968.80000114.2
993R32.3Very low30.6Very low235 Ų235153.8 Ų153.889%0.88780%0.801SS**  cis-165.3153.934.1-149.7175.5-156.2-174.67.1113.1
994T26.8Very low30.5Very low138 Ų138152.9 Ų152.985%0.84780%0.8SS**  trans-104146.5175.246.80000113.7
995G25.7Very low30.6Very low74 Ų74147.6 Ų147.676%0.76380%0.798SS**  trans83.6146.2145.200000118.6
996L31.8Very low30.3Very low141 Ų141148.9 Ų148.974%0.73880%0.797SS**  trans-165.896.6135.9-107.2167.9000110.6R998L996-R998 HydrophobicContact CD2-CG 3.72Å
997S25.4Very low30.8Very low118 Ų118148.1 Ų148.183%0.82580%0.801SS**  trans-93.8139.6151.7175.50000107.8
998R31.9Very low30.1Very low200 Ų200146.2 Ų146.276%0.75580%0.801SS**  trans-140.5116.3170.6-84.6-174.7179.4-173.90.3111.2L996L996-R998 HydrophobicContact CD2-CG 3.72Å
999K25.7Very low30.1Very low210 Ų210147.3 Ų147.391%0.91381%0.806SS**  trans-97.4133.3142.6-73.1-177.8175.8179.80107.2
1000T32.6Very low30Very low128 Ų128144.4 Ų144.479%0.78580%0.8SS**  trans-126124.6164.234.10000109.6
1001R27.9Very low29.9Very low205 Ų205145.6 Ų145.677%0.77480%0.797SS**  trans-73.3138.1-174.2169.6-158.3-83.9174.5-7.7111.4R1003R1001-R1003 HydrophobicContact CG-CB 4.25Å
1002V29.2Very low29.8Very low143 Ų143146 Ų14687%0.86779%0.794SS**  trans-121.6151.3147.7-179.30000107.4
1003R26.3Very low29.5Very low211 Ų211146 Ų14680%0.79679%0.794SS**  trans-151.8112.9-168-160.9-171.1-163.3-162.44.7112.2R1001R1001-R1003 HydrophobicContact CG-CB 4.25Å
1004S31.2Very low29.4Very low104 Ų104142.9 Ų142.973%0.72779%0.793SS**  trans-175138.5173.349.20000106.4
1005S31.3Very low29.3Very low116 Ų116142.3 Ų142.381%0.81179%0.79SS**  cis176.2143.6-13.231.50000104.5
1006I26.4Very low29.6Very low163 Ų163145.9 Ų145.984%0.83680%0.797SS**  trans-79.8167.2-178-73.4160.4000109.9
1007P36.2Very low29.3Very low126 Ų126143.8 Ų143.882%0.81879%0.794SS**  cis-135-179.3923.13.2000118.2
1008G29.1Very low29.5Very low69 Ų69143.7 Ų143.771%0.71178%0.784SS**  trans114.6140.5153.200000115.1
1009L31.1Very low29.4Very low156 Ų156142.1 Ų142.182%0.81778%0.783SS**  cis-148.6167.24.5-14879.2000111.5
1010K30Very low29.5Very low172 Ų172136.7 Ų136.775%0.74877%0.771SS**  trans-10.3148.2153.8-63.9168.8-174.5179.40116.7
1011N30.3Very low29.3Very low144 Ų144138.6 Ų138.677%0.7777%0.774SS**  cis-161179.317-122.119.8000107.9
1012S32.2Very low29.1Very low107 Ų107133.2 Ų133.275%0.74877%0.769SS**  cis-164174-4.429.70000108.9
1013S25.8Very low29.1Very low106 Ų106134.8 Ų134.874%0.74177%0.766SS**  trans-120.1152.5176.552.70000113.2
1014I30.1Very low29Very low170 Ų170132.5 Ų132.587%0.87276%0.764SS**  trans-133.1138157.3-67.3-175.9000108.4
1015T25.9Very low28.9Very low126 Ų126135.9 Ų135.977%0.77377%0.773SS**  trans-124.4136.6-179.649.20000110.2
1016V30.4Very low28.7Very low149 Ų149138.3 Ų138.390%0.90377%0.768SS**  trans-137.7142.3155.3-176.70000107.8
1017S26.4Very low28.7Very low97 Ų97138.5 Ų138.568%0.67877%0.766SS**  trans-142.8138.3-17757.20000110.2
1018D29.7Very low28.3Very low115 Ų115137.6 Ų137.662%0.61576%0.762SS**  trans178.3133.9137.4-94.65.6000110.2
1019K29.3Very low28.3Very low168 Ų168143 Ų14373%0.7377%0.769SS**  62.9137.790.6-59.3-171.4-160.994.30113.4
1020S28.6Very low28.2Very low95 Ų95141.3 Ų141.366%0.66477%0.765SS**  cis-171.9149.20.143.10000113.4
1021I28.2Very low28Very low168 Ų168138.8 Ų138.886%0.86276%0.764SS**  trans61.3145.8138-61.2170.8000120.1
1022S24.1Very low27.8Very low93 Ų93138.3 Ų138.365%0.6576%0.761SS**  trans-76.1159.7-169.6520000118.3
1023H28.7Very low27.6Very low175 Ų175140.3 Ų140.381%0.8176%0.762SS**  -161166.9121.4-111.9-71.7000113.4
1024E24.1Very low27.5Very low163 Ų163139.1 Ų139.176%0.76276%0.759SS**  trans-96.4154.6-175.3-50.7158.696.900113.7
1025I28.3Very low27.4Very low176 Ų176140.7 Ų140.790%0.90376%0.759SS**  trans-138.8158.8149.3-69.3-167.5000109.4
1026K27Very low27.3Very low167 Ų167139.9 Ų139.973%0.72676%0.758SS**  trans-107150.7-158.9-72172.1167.9-173.20116.6
1027Q26.7Very low27.2Very low167 Ų167138.1 Ų138.178%0.7875%0.75SS**  48.2133.3129.9-58172.5-76.800124
1028S29.3Very low27.4Very low106 Ų106140 Ų14074%0.74176%0.757SS**  trans-156121.3134560000107
1029E28.8Very low27.5Very low183 Ų183139.3 Ų139.386%0.85576%0.759SS**  6513678.4-66.3-172.2155.600112.7
1030V28.4Very low27.4Very low121 Ų121137.5 Ų137.573%0.73376%0.758SS**  cis-143.3134.414.2174.50000106.4
1031V25.1Very low27.2Very low119 Ų119139.9 Ų139.972%0.72176%0.761SS**  78.1147.765.11620000115.2
1032D27.1Very low27.2Very low133 Ų133139 Ų13971%0.71176%0.757SS**  trans74149.1174.4-71.3-10.5000120
1033I28.3Very low27.3Very low150 Ų150142.4 Ų142.477%0.76976%0.762SS**  cis-151.6163.7-16.7-120.9164.3000111.4
1034A23.5Very low27Very low81 Ų81138 Ų13867%0.66975%0.751SS**  trans-71.8161.2-173.500000117.5
1035K28.1Very low27.1Very low203 Ų203136.8 Ų136.888%0.88375%0.749SS**  -166.8153.7124.2-102.2151.5-170173.50115.5
1036S23.1Very low26.9Very low108 Ų108135.3 Ų135.376%0.75574%0.742SS**  trans-89.8-170.9179.356.70000111
1037P28.8Very low26.8Very low113 Ų113134.2 Ų134.273%0.73474%0.743SS**  cis-146.5-179.214.344.6-24.3000119.3
1038T30.7Very low26.6Very low135 Ų135131.7 Ų131.783%0.82874%0.739SS**  trans-117.8145.3152.150.40000110
1039P31Very low26.3Very low101 Ų101134.7 Ų134.766%0.65674%0.741SS**  -138.5-175.1126.942.8-31.4000110.5
1040D27.6Very low26.2Very low131 Ų131133.1 Ų133.170%0.70173%0.734SS**  cis-118.5-176.4-0.6-82.2-77.1000110.3
1041I25.3Very low26Very low144 Ų144132.1 Ų132.174%0.73873%0.73SS**  cis64.5120.237-22.6177.7000112
1042I27Very low26.1Very low150 Ų150132.3 Ų132.377%0.76974%0.735SS**  cis-147.4157.943.8-70.7164.4000106.9
1043H27.3Very low26.1Very low165 Ų165134.7 Ų134.776%0.76474%0.739SS**  cis-138-165.223.4-159.2-98.4000112.3
1044S22.8Very low26.1Very low81 Ų81134 Ų13457%0.56674%0.742SS**  trans-128.5158-177.354.20000114.6
1045L24.5Very low26.4Very low139 Ų139135.9 Ų135.973%0.72875%0.748SS**  149.3131.2126-80.9175.1000115.4
1046L25.5Very low26.4Very low145 Ų145134.6 Ų134.676%0.75975%0.745SS**  trans61.4150.4149-57.5167.3000120.2
1047I23.8Very low26.8Very low144 Ų144134.8 Ų134.874%0.73874%0.744SS**  cis-153.8-170.6-37.5-138.7175.2000108.5
1048T22.5Very low26.7Very low113 Ų113139.4 Ų139.469%0.69375%0.752SS**  trans-55.8167.4-176.1540000115.8
1049E24Very low26.8Very low170 Ų170138 Ų13879%0.79475%0.754SS**  cis-157.6173.737.7-83.6-166.7151.600115.9
1050E26Very low26.8Very low149 Ų149143.3 Ų143.370%0.69677%0.767SS**  trans53.4122.9142.7-73.5-83.9107.700123.3
1051P24.7Very low26.9Very low100 Ų100146.6 Ų146.665%0.64977%0.77SS**  trans-101.298.3163.836-27.8000113.2F1053P1051-F1053 WeakPolarHBondContact O-CD2 3.2Å; P1051-F1053 PolarHBondContact O-N 3.3Å; P1051-F1053 VanDerWaalsContact O-N 3.14Å
1052C26.7Very low27.2Very low124 Ų124146 Ų14684%0.83878%0.775SS**  trans-61.5112.5-178.8-69.50000114.9
1053F26.2Very low27.3Very low182 Ų182149.1 Ų149.180%0.79878%0.777SS**PPolyproline II helixtrans-77154.7169.2-82.4-100.4000112.9P1051P1051-F1053 WeakPolarHBondContact O-CD2 3.2Å; P1051-F1053 PolarHBondContact O-N 3.3Å; P1051-F1053 VanDerWaalsContact O-N 3.14Å
1054T28.2Very low27.5Very low135 Ų135147 Ų14783%0.82878%0.78SS**PPolyproline II helixtrans-82138.8166.446.90000111.1
1055P30Very low28Very low122 Ų122148.8 Ų148.879%0.79279%0.793SS**PPolyproline II helixtrans-88145.9-166.533.8-36.8000115.1
1056E28.5Very low28.2Very low176 Ų176150.5 Ų150.582%0.82280%0.798SS**  trans-131.1164.3157.8-89.4-165.8-16100110.3
1057P31.2Very low28.3Very low111 Ų111155 Ų15572%0.72180%0.804SS**  trans-101.1138.3-139.735.5-35.9000118.7
1058K27.3Very low28.6Very low211 Ų211153.6 Ų153.692%0.91781%0.808SS**  trans5299.9145.4-63.7-172.8177.8-175.40119.4
1059A32.3Very low28.8Very low105 Ų105155.6 Ų155.687%0.86881%0.814SS**  trans-117.8164.3146.400000110.7
1060K32.3Very low29Very low212 Ų212157 Ų15792%0.92282%0.82SS**  trans-88.8147.9-170.9-67.1-177177.8-177.30113.5
1061R29.7Very low28.9Very low201 Ų201155.3 Ų155.376%0.75882%0.824SS**  trans-77.7164.6176-79-179.7171153.4-4.2113.3
1062P31.7Very low29Very low131 Ų131158.3 Ų158.385%0.85184%0.835SS**  -118.3-178.1113.435.4-34000113.7
1063R27.6Very low28.8Very low216 Ų216159.5 Ų159.582%0.81583%0.833SS**  trans-135.9133.6-171.6-94.4178.5159.7171.4-7.9113.3
1064S31.6Very low28.9Very low119 Ų119156.3 Ų156.383%0.83283%0.833SS**  trans-174.2150.9151.342.60000107.5
1065S32.9Very low28.7Very low120 Ų120157.1 Ų157.184%0.83983%0.831SS**  cis-149.8-169.6-9.439.60000110.3
1066Q29.9Very low28.4Very low175 Ų175160 Ų16082%0.81883%0.834SS**  trans-89.3172.7-157.8-61.1175-34.600117.7
1067R27.6Very low28.2Very low238 Ų238157.7 Ų157.790%0.89883%0.827SS**  trans82146.8168.9-60.5-178.5176.4-176.5-2.1114.4
1068S30.4Very low28Very low116 Ų116157.5 Ų157.581%0.81183%0.827SS**  cis-110.3173.214.353.20000115.5
1069N25.6Very low28Very low154 Ų154154.2 Ų154.282%0.82482%0.82SS**  trans-96.4134.5171.4-66.2-8.6000110.4
1070Q28.8Very low27.6Very low199 Ų199157.2 Ų157.293%0.9382%0.821SS**  trans-144.9138.8145.8-119.6170.2-10.200107.7
1071C23Very low27.3Very low115 Ų115156.1 Ų156.178%0.77782%0.816SS**  trans-99.8126.4-175.2-61.30000109.9
1072D26.9Very low27.1Very low162 Ų162155.7 Ų155.787%0.86682%0.823SS**  trans-123.5124.6153.4-102.6-46.7000109.2
1073N23.7Very low26.8Very low149 Ų149157 Ų15780%0.79782%0.821SS**  trans-91.3118.4177.8-77-45.9000109
1074S27.2Very low26.6Very low115 Ų115154.8 Ų154.880%0.80483%0.825SS**  trans-139.491.3168.7-79.50000110.6E1076S1074-E1076 PolarHBondContact O-N 3.47Å
1075L24.2Very low26.3Very low152 Ų152158.1 Ų158.180%0.79683%0.827SS**  trans-75.299.9170-80.7136.8000109.6L1077L1075-L1077 VanDerWaalsContact C-N 3.25Å; L1075-L1077 HydrophobicContact CB-CD1 4.11Å; L1075-L1077 HydrophobicContact CD2-CD1 4.28Å; L1075-L1077 PolarHBondContact O-N 3.06Å
1076E25.1Very low25.8Very low182 Ų182158 Ų15885%0.8583%0.825SS**  trans-71.883.9162.4-77.5-153.5138.100110.5S1074 C1078S1074-E1076 PolarHBondContact O-N 3.47Å; E1076-C1078 PolarHBondContact O-N 2.86Å; E1076-C1078 VanDerWaalsContact O-N 3.12Å
1077L23.9Very low25.5Very low128 Ų128157.7 Ų157.767%0.6783%0.827SS**  trans-67.998.7154.7-94.972.3000108.3L1075 N1079L1075-L1077 VanDerWaalsContact C-N 3.25Å; L1075-L1077 HydrophobicContact CB-CD1 4.11Å; L1075-L1077 HydrophobicContact CD2-CD1 4.28Å; L1075-L1077 PolarHBondContact O-N 3.06Å; L1077-N1079 PolarHBondContact O-N 2.91Å
1078C26.9Very low25.4Very low108 Ų108155.5 Ų155.573%0.7383%0.827SS**  trans-64.1104.4162.6-72.20000109.2E1076 N1080E1076-C1078 PolarHBondContact O-N 2.86Å; E1076-C1078 VanDerWaalsContact O-N 3.12Å; C1078-N1080 PolarHBondContact O-N 3.22Å
1079N26.8Very low25.1Very low141 Ų141154 Ų15475%0.75482%0.817SS**  trans-63.2117.5-174.2-82.7-46.7000113.2L1077 K1081L1077-N1079 PolarHBondContact O-N 2.91Å; N1079-K1081 VanDerWaalsContact C-N 3.26Å; N1079-K1081 PolarHBondContact O-N 3.21Å
1080N24.2Very low25.2Very low168 Ų168151.2 Ų151.290%0.89881%0.807SS**  trans-76.773.9163.4-78-45.1000110.3C1078C1078-N1080 PolarHBondContact O-N 3.22Å
1081K24.9Very low25.1Very low189 Ų189150.6 Ų150.682%0.82280%0.801SS**  trans-159.962177.4-122.8174.5-169.2-179.80115.3N1079N1079-K1081 VanDerWaalsContact C-N 3.26Å; N1079-K1081 PolarHBondContact O-N 3.21Å
1082E25.4Very low25.2Very low193 Ų193152.5 Ų152.590%0.90280%0.803SS**  trans-163.388.2157.1-117.1166.3-135.800112.1
1083I25.8Very low25.2Very low157 Ų157151.6 Ų151.681%0.80580%0.797SS**  trans-13865.3171.3-49.1178.7000109.1
1084L24.8Very low25.4Very low171 Ų171152.4 Ų152.490%0.89580%0.801SS**SBendtrans-153.312.4176.9-124.1148.6000116.6
1085E23.5Very low25.2Very low189 Ų189154.2 Ų154.288%0.88380%0.801SS**  trans-138.963.7-178.1-146.6173.8-105.100114.5
1086C23.8Very low25.2Very low117 Ų117152 Ų15279%0.79180%0.798SS**  trans-158.157.7165-118.50000114.2
1087I23.2Very low25.3Very low168 Ų168148.3 Ų148.386%0.86279%0.793SS**  trans-110.191164.9-56.3178.8000108.7
1088Q25.1Very low25.4Very low192 Ų192147.7 Ų147.790%0.89779%0.794SS**  trans-112112.9157.2-75.4-171.7-16.100108.1
1089S25.1Very low25.3Very low85 Ų85151 Ų15159%0.59480%0.799SS**  trans-79.9140.1175.444.90000110.4K1091S1089-K1091 PolarHBondContact O-N 3.34Å
1090P26.7Very low25.3Very low95 Ų95151.2 Ų151.262%0.61780%0.795SS**  trans-69.1109157.830-29.3000107.2I618I618-P1090 HydrophobicContact CD1-CG 4.39Å
1091K27Very low25.4Very low186 Ų186150.9 Ų150.981%0.80979%0.786SS**  trans-72.7130165.3-75.1-173.7175.2-177.30108.4S1089S1089-K1091 PolarHBondContact O-N 3.34Å
1092D25.5Very low25.5Very low155 Ų155150.8 Ų150.883%0.82979%0.788SS**  trans-64.8138.8171.1-64.5-65.4000110.3
1093I26.3Very low25.4Very low143 Ų143149.2 Ų149.273%0.73379%0.785SS**  trans-109.4101.8172.6-61177.5000107.5
1094L27.8Very low25.6Very low167 Ų167149.9 Ų149.987%0.87479%0.788SS**  trans-89.6140.9159.4-81.2165.1000108.8
1095N22.3Very low25.7Very low153 Ų153147.1 Ų147.182%0.81878%0.783SS**  trans-90.9122.7-178.7-68.1-28.9000111.4
1096S25Very low25.7Very low104 Ų104143.8 Ų143.873%0.72778%0.781SS**  trans-167.3135.7157.652.20000110.4
1097S27Very low25.8Very low105 Ų105143.1 Ų143.173%0.73478%0.777SS**  trans45.2111.2165.950.30000117.9
1098V25.5Very low25.9Very low116 Ų116142.4 Ų142.470%0.70378%0.775SS**  64.410758-1740000112.7
1099E25.5Very low25.8Very low177 Ų177137.3 Ų137.383%0.82777%0.766SS**  trans61.9142.8157.8-67.3155.2-167.700118.1
1100E27.5Very low25.9Very low146 Ų146142.3 Ų142.368%0.68278%0.777SS**  cis-144.6-156.33.2-137.1-171.1166.600113.5
1101K25.9Very low25.8Very low161 Ų161147.1 Ų147.170%0.778%0.783SS**  trans-64.3169.1-171.3-53.7134.3177.8163.40112.8
1102E27.6Very low25.6Very low187 Ų187145.1 Ų145.187%0.87478%0.78SS**  cis-146.2179.738.1-75.4-167.8132.500115.9
1103I23.2Very low25.5Very low160 Ų160147.4 Ų147.482%0.82178%0.783SS**  trans-112.1141.8-177.1-63.2161.3000109.2
1104I29Very low25.3Very low170 Ų170146.9 Ų146.987%0.87279%0.787SS**  trans-156.9159.6144.2-107.7152.1000111
1105S27.1Very low25.8Very low113 Ų113144.5 Ų144.579%0.7978%0.781SS**  trans-86.1162.4-157.551.10000116.5
1106S23.1Very low26.3Very low120 Ų120142.9 Ų142.984%0.83978%0.779SS**  trans-101.8146.4164.9520000113.1
1107S25.9Very low26.3Very low103 Ų103147.7 Ų147.772%0.7278%0.783SS**  trans-140.5164.6156.474.20000106.5
1108D26.2Very low26.1Very low153 Ų153150.7 Ų150.782%0.81879%0.79SS**  cis-129.2172.419.1-61.5-50.7000113.2
1109A22.5Very low26Very low85 Ų85149.2 Ų149.270%0.70279%0.785SS**  trans-148.6112.7167.100000112.3
1110F26.6Very low26Very low189 Ų189149.9 Ų149.983%0.82979%0.788SS**  trans-175.6149.7166.9-90.3-38.8000109.3
1111R25.3Very low25.8Very low197 Ų197149.5 Ų149.574%0.74379%0.79SS**  cis-166.5147.2-12.7-153.8173.4-168.1175.83.2110.2
1112L23.1Very low25.8Very low143 Ų143151.9 Ų151.975%0.74980%0.8SS**  trans44.4126.7153.6-75.6164.9000121.9
1113K23.9Very low25.6Very low203 Ų203147.6 Ų147.688%0.88379%0.787SS**  -176.9138.3105.8-100.5173-178.2-179.80113.5
1114T21.6Very low25.6Very low133 Ų133147.1 Ų147.182%0.81679%0.786SS**  trans-163.4169.2170.944.40000110
1115P39.1Very low25.5Very low116 Ų116144.1 Ų144.175%0.75378%0.78SS**  cis-103.6-91.4-2515.86.7000110.1
1116P32.4Very low25.3Very low119 Ų119147.2 Ų147.277%0.77378%0.782SS**  cis-103.6-147.2-6.542.4-32.7000113.2
1117Y23.4Very low25.5Very low206 Ų206149.2 Ų149.281%0.80878%0.783SS**  trans-82.4157.4-179-101.1-119.8000115.4
1118N24.3Very low25.6Very low167 Ų167150.2 Ų150.289%0.89378%0.784SS**  -145.2152.6125.2-134.72.2000109.9
1119S23.1Very low25.5Very low85 Ų85149.9 Ų149.959%0.59478%0.783SS**  trans-140.4126.6-174.457.60000111.9
1120E25.1Very low25.8Very low192 Ų192153 Ų15390%0.89779%0.787SS**  trans-126158.2168.2-72.8-161.4152.300111.7
1121I24Very low25.6Very low138 Ų138148.1 Ų148.171%0.70878%0.777SS**  trans-122.2131.4-166.6-64169000108.5T1123I1121-T1123 HydrophobicContact CG2-CG2 3.8Å
1122F25.6Very low25.8Very low210 Ų210147.9 Ų147.992%0.92178%0.782SS**  trans-131.7143.3156.4-102.3-83.9000110.3
1123T23.1Very low26Very low98 Ų98147.7 Ų147.760%0.60178%0.782SS**  trans-134.9155.3-167.550.70000112.1I1121I1121-T1123 HydrophobicContact CG2-CG2 3.8Å
1124N23.5Very low26Very low149 Ų149145.8 Ų145.880%0.79778%0.781SS**  trans67.6145.7171-50.7-38.5000114.7
1125S26.6Very low26.4Very low107 Ų107145.1 Ų145.175%0.74878%0.782SS**  cis-138.6139.425.337.30000110.3
1126Q23.8Very low25.7Very low178 Ų178146.7 Ų146.783%0.83278%0.784SS**  57.5123.181.9-76-167.1-1.600116.1
1127L27.6Very low25.4Very low163 Ų163147.6 Ų147.685%0.85378%0.779SS**  trans143.5136.4159.4-82.1170.3000107.8
1128T27.2Very low25.6Very low123 Ų123142.3 Ų142.376%0.75577%0.773SS**  cis-159169.1-26-3.50000108.3
1129N23.7Very low25.6Very low146 Ų146141.5 Ų141.578%0.78177%0.767SS**  trans-78.2150172.1-60.4-35.8000112.2
1130D28Very low25.7Very low150 Ų150141.2 Ų141.280%0.80277%0.769SS**  -161.4129123.9-80.8-31.4000104.9
1131S23.5Very low25.9Very low87 Ų87138.7 Ų138.761%0.60876%0.762SS**  cis79.878.131.985.60000115.8
1132F28.5Very low26Very low193 Ų193140 Ų14085%0.84677%0.77SS**  trans-171.7145.5154-82.7-61.2000107.7
1133D28.5Very low26Very low139 Ų139135.7 Ų135.774%0.74376%0.761SS**  cis-152.2167.9-23.6-151.3-13.5000109.7
1134N23.8Very low26.2Very low162 Ų162140.1 Ų140.187%0.86677%0.771SS**  trans-110.1115.4173.2-93.9-71.8000111.4
1135S29.3Very low26.3Very low120 Ų120139.7 Ų139.784%0.83977%0.774SS**  trans-131.4116.1170.865.60000113.2
1136D25.5Very low26.2Very low148 Ų148145.9 Ų145.979%0.79178%0.781SS**  trans-43.2135.9177.9-89.6-42.1000119.2
1137M25.3Very low26.3Very low138 Ų138146.8 Ų146.868%0.6879%0.786SS**  77.4117.8115.1-166.8156.745.800123.1I1139M1137-I1139 HydrophobicContact CG-CD1 3.65Å; M1137-I1139 HydrophobicContact CG-CG1 3.78Å; M1137-I1139 HydrophobicContact SD-CD1 3.53Å; M1137-I1139 VanDerWaalsContact SD-CD1 3.53Å; M1137-I1139 HydrophobicContact SD-CG1 4.28Å
1138S27.1Very low26.3Very low96 Ų96151.1 Ų151.167%0.67179%0.791SS**  trans-154.1135.8140.8-1770000106.8A1140S1138-A1140 WeakPolarHBondContact OG-CB 3.4Å; S1138-A1140 PolarHBondContact OG-N 2.81Å
1139I25.7Very low26.2Very low149 Ų149156.9 Ų156.976%0.76480%0.798SS**  cis69.236.622.6-39-172.2000114.1M1137M1137-I1139 HydrophobicContact CG-CD1 3.65Å; M1137-I1139 HydrophobicContact CG-CG1 3.78Å; M1137-I1139 HydrophobicContact SD-CD1 3.53Å; M1137-I1139 VanDerWaalsContact SD-CD1 3.53Å; M1137-I1139 HydrophobicContact SD-CG1 4.28Å
1140A24.1Very low26.3Very low79 Ų79159.2 Ų159.265%0.65381%0.805SS**  trans-153.669.9164.800000113S1138S1138-A1140 WeakPolarHBondContact OG-CB 3.4Å; S1138-A1140 PolarHBondContact OG-N 2.81Å
1141D29.4Very low26.4Very low139 Ų139157.7 Ų157.774%0.74381%0.806SS**  trans-162.445.3148.4-118.1-11.3000113.1
1142L25.7Very low26.6Very low166 Ų166165.7 Ų165.787%0.86982%0.822SS**  trans-89.6150.4151.7-128.981.5000107.9
1143V25.6Very low26.5Very low120 Ų120161.8 Ų161.873%0.72782%0.819SS**  trans74.679.6-178.6-164.50000115.4
1144K27.1Very low26.7Very low190 Ų190161 Ų16183%0.82682%0.824SS**  trans-14130.7152.6-113.4164.4-166.4159.40114.4
1145T26.3Very low26.9Very low140 Ų140161.8 Ų161.886%0.85982%0.823SS**  trans-115.139.3179.141.50000113.3
1146R25.2Very low27.1Very low237 Ų237165 Ų16589%0.89483%0.825SS**  trans-140.467.8173.2-89-167.9172.4-177.7-0.4113.4
1147Q26.2Very low27.5Very low198 Ų198165.8 Ų165.893%0.92583%0.827SS**  trans-161.768.1160.8-118.2173.913.700112.8
1148R27.1Very low27.6Very low254 Ų254165.1 Ų165.196%0.95883%0.831SS**  trans-154.948.2167.4-126.2174.8-169.2-170.42.1115.4
1149R23.9Very low27.9Very low243 Ų243166.7 Ų166.792%0.91784%0.837SS**  trans-146.687.8164.2-92.8-167.4172.5-178.2-1.3110.8
1150Q26.9Very low28.3Very low196 Ų196166.2 Ų166.292%0.91684%0.841SS**  trans178.795.6153.2-106.1171.8-0.600109.9
1151S29.3Very low28.5Very low117 Ų117167.7 Ų167.782%0.81885%0.846SS**SBendtrans170.277.8152.158.30000112
1152R28.3Very low29.1Very low255 Ų255166.1 Ų166.196%0.96284%0.843SS**  trans153.884.5149.8-86.8174.1-177.9-158.9-1.2111.3
1153S27.2Very low29.3Very low111 Ų111164 Ų16478%0.77684%0.837SS**  trans-148.374.7161.358.70000108.1Q1155S1153-Q1155 PolarHBondContact O-N 3.25Å; S1153-Q1155 VanDerWaalsContact O-N 3.17Å
1154S31.6Very low29.7Very low122 Ų122166.2 Ų166.285%0.85384%0.84SS**  trans-69.4103.1167.347.90000108.2
1155Q28.9Very low29.9Very low179 Ų179165 Ų16584%0.83684%0.837SS**  trans-76.3136.6169.8-69.1177.7-37.500109.1S1153S1153-Q1155 PolarHBondContact O-N 3.25Å; S1153-Q1155 VanDerWaalsContact O-N 3.17Å
1156H32.5Very low30.2Very low189 Ų189163.8 Ų163.888%0.87583%0.834SS**  trans-111.5152.9151.6-110.2-94000108.8
1157I34.6Very low30.6Very low164 Ų164158.9 Ų158.984%0.84183%0.831SS**  trans-81.4149.8-159.7-66.1168.4000112
1158T27Very low31.1Very low124 Ų124155.1 Ų155.176%0.76182%0.823SS**  trans-84.2138.1-176.350.20000114.2
1159T32.8Very low31.3Very low129 Ų129150.5 Ų150.579%0.79182%0.816SS**  trans-146.3110.5147.745.30000111.9
1160T34.1Very low31.7Very low139 Ų139145.6 Ų145.685%0.85381%0.807SS**  trans48.4131.4144.352.40000123.5
1161S28.8Very low31.7Very low110 Ų110141.2 Ų141.277%0.76980%0.798SS**  trans-69.8-179.2168.954.70000114.2
1162P41.2Very low31.9Very low105 Ų105145.5 Ų145.568%0.68280%0.801SS**  cis-149.9163.722.544.4-23.2000121.9
1163T30.4Very low32.1Very low121 Ų121141.6 Ų141.674%0.74279%0.794SS**  trans40.3123.214560.40000122.8
1164Q33.4Very low32.1Very low168 Ų168147.2 Ų147.279%0.78580%0.798SS**  178.6170.193.4-88.8-160.49.800112.9
1165H32.5Very low32.1Very low165 Ų165149.8 Ų149.876%0.76480%0.801SS**  trans-4.3153.5161.2-63.5-68.1000121.2
1166S32.2Very low32Very low113 Ų113146.1 Ų146.179%0.7980%0.795SS**  cis-163-160.12.644.80000112.6
1167T33Very low32.1Very low135 Ų135145.5 Ų145.583%0.82880%0.797SS**  trans-73.2163.9-166.7350000117.5
1168P37.4Very low32Very low118 Ų118147 Ų14777%0.76680%0.798SS**  trans-102.2168.3-160.340.3-37.6000116.1
1169I31.8Very low32.4Very low157 Ų157152.2 Ų152.281%0.80580%0.804SS**  trans-156.7133.3165.9-114.8158.5000114.8
1170I31.5Very low32.6Very low141 Ų141151.7 Ų151.772%0.72380%0.8SS**  trans53.3109.6148-57.9169.5000122.4
1171S27.9Very low32.8Very low104 Ų104150.1 Ų150.173%0.72780%0.795SS**  trans46139.3137.488.50000124.5
1172K32.8Very low33.4Very low206 Ų206158.4 Ų158.490%0.89682%0.817SS**  -159173.9127-113.5167.4-172.2174.10113.7
1173H32Very low33Very low174 Ų174161.1 Ų161.181%0.80682%0.824SS**  trans-73163.1-158.1-94.8-135.5000118.1
1174R27.3Very low33.2Very low229 Ų229163.2 Ų163.286%0.86483%0.828SS**  trans-16.8138.9148.9-70.1173.1166.2170.6-5115.4
1175L31.8Very low33.1Very low175 Ų175162.9 Ų162.992%0.91683%0.831SS**  -157161.2115.7-109.7167.9000111.1
1176S28.1Very low33.2Very low102 Ų102162.8 Ų162.871%0.71384%0.835SS**  trans-118138.6-171.355.50000111.7
1177L34.1Very low33.2Very low176 Ų176165.9 Ų165.992%0.92184%0.838SS**  trans-154.4138.4162.5-111.4159.1000111.4
1178K31.6Very low33.3Very low195 Ų195168 Ų16885%0.84884%0.838SS**  trans-98.1137.8170-68176.7175.2179.50109
1179R35.5Very low33Very low235 Ų235171.6 Ų171.689%0.88784%0.843SS**  trans-172.8119.9133.4-110.6173.2173.9162.2-1.9114.1
1180T36.8Very low33.1Very low117 Ų117172.7 Ų172.772%0.71885%0.846SS**  trans37.9135.1133.355.70000122.7
1181S38.8Very low33.2Very low107 Ų107175.3 Ų175.375%0.74886%0.857SS**  trans63.797.9146.264.30000119.5
1182K41.6Very low33.7Very low284 Ų284181.8 Ų181.8100%1.23587%0.868SS**  -145.4090.5-115.7-177179.5-176.80110.5

Retrieved 1,182 of 1,182 residues in 242.2 ms (Link to these results)

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