A0A3Q0KNX6_SCHMA Loading...

Putative centrosomal protein of 41 kDa (Cep41 protein) (Testis-specificprotein A14 protein)

AlphaFold DB , UniProt , Accession A0A3Q0KNX6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 366 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
1M38Very low49.8Very low56 Ų5684.3 Ų84.328%0.27643%0.434SS..  0138.60-119.8-157.8159.600108.4K3 I13 R72 I75 N344M1-K3 PolarHBondContact O-N 2.96Å; M1-I13 HydrophobicContact CE-CD1 4.1Å; M1-I13 HydrophobicContact CE-CG2 3.94Å; M1-I13 HydrophobicContact SD-CB 3.83Å; M1-I13 HydrophobicContact SD-CD1 3.67Å; M1-I13 HydrophobicContact SD-CG1 4.35Å; M1-I13 HydrophobicContact SD-CG2 3.47Å; M1-I13 WeakPolarHBondContact SD-CG2 3.45Å; M1-R72 HydrophobicContact CE-CG 3.65Å; M1-R72 HydrophobicContact SD-CG 4.29Å; M1-R72 PolarHBondContact SD-NE 3.04Å; M1-R72 PolarHBondContact SD-NH2 2.96Å; M1-I75 HydrophobicContact CE-CD1 4.06Å; M1-N344 PolarHBondContact N-O 3.13Å
2T33.8Very low51.3Low97 Ų9777.5 Ų77.560%0.59540%0.399SS*.  trans-71.1112.1-159.234.80000114.1K4T2-K4 PolarHBondContact O-N 3.14Å
3K41.7Very low52.8Low82 Ų8272.7 Ų72.736%0.35737%0.374SS..  trans-60.5110.6148.3-82.3-178.7176.7176.80106.7M1 E41 Q45M1-K3 PolarHBondContact O-N 2.96Å; K3-E41 IonicContact NZ-OE1 3Å; K3-E41 PolarHBondContact NZ-OE1 2.95Å; K3-E41 IonicContact NZ-OE2 2.98Å; K3-Q45 VanDerWaalsContact NZ-CD 3.28Å
4K43.9Very low54.7Low107 Ų10767.7 Ų67.747%0.46535%0.349SS..  trans-108100.9160.9-137.3-177.1-175.9-174.20105.7T2 N6 F79T2-K4 PolarHBondContact O-N 3.14Å; K4-N6 PolarHBondContact O-N 3.39Å; K4-F79 HydrophobicContact CD-CE1 3.66Å; K4-F79 HydrophobicContact CD-CZ 4.3Å
5I47.3Very low56.5Low128 Ų12866.5 Ų66.566%0.65634%0.343SS*.  trans-74.287.3173-58.6166.1000105.4
6N43.2Very low58.5Low82 Ų8265.6 Ų65.644%0.43933%0.334SS..SBendtrans-109.5111.2163.2-829.2000105.9K4K4-N6 PolarHBondContact O-N 3.39Å
7N51.5Low60.3Low145 Ų14569 Ų6978%0.77535%0.346SS*.THydrogen-bonded Turntrans54.673.8177.4-59.1-11.1000115.1N9N7-N9 PolarHBondContact O-N 3.33Å
8N56.7Low61.9Low89 Ų8970.2 Ų70.248%0.47635%0.352SS..THydrogen-bonded Turntrans52.3-4.7168.9-61.7-12.4000118.4N63 G65N8-N63 HydrophobicContact CB-CB 4.46Å; N8-N63 WeakPolarHBondContact ND2-CB 3.46Å; N8-N63 PolarHBondContact ND2-ND2 3.43Å; N8-N63 VanDerWaalsContact ND2-ND2 3.12Å; N8-G65 VanDerWaalsContact O-CA 3.23Å; N8-G65 WeakPolarHBondContact O-CA 3.41Å
9N59.3Low63.4Low64 Ų6471.8 Ų71.834%0.34236%0.357SS..  trans-91.1134.2-177-65.9-20.1000109.8N7 K66N7-N9 PolarHBondContact O-N 3.33Å; N9-K66 WeakPolarHBondContact CA-O 3.47Å
10I64.7Low64.6Low38 Ų3876.6 Ų76.620%0.19538%0.383CS..EExtended strand (participates in β ladder)trans-100.5107.3-179.3-62.4175.9000107I12 V42 K66 F67 L68I10-I12 PolarHBondContact O-N 3.39Å; I10-V42 HydrophobicContact CD1-CB 4.13Å; I10-V42 HydrophobicContact CD1-CG1 3.23Å; I10-V42 HydrophobicContact CD1-CG2 3.79Å; I10-V42 HydrophobicContact CG2-CG2 3.82Å; I10-K66 PolarHBondContact N-O 3.21Å; I10-F67 HydrophobicContact CB-CD1 3.89Å; I10-F67 HydrophobicContact CB-CE1 4.06Å; I10-F67 HydrophobicContact CD1-CE1 4.21Å; I10-F67 HydrophobicContact CG2-CD1 3.8Å; I10-F67 HydrophobicContact CG2-CE1 3.79Å; I10-F67 CarbonylContact O-C 3.19Å; I10-F67 VanDerWaalsContact O-CA 3.24Å; I10-F67 WeakPolarHBondContact O-CA 3.49Å; I10-L68 PolarHBondContact O-N 3.34Å
11I67.4Low65.8Low39 Ų3980.8 Ų80.820%0.241%0.407CS..EExtended strand (participates in β ladder)trans-81.3109.9179.7-59.1172.3000108.8I13 L68 I70 L78I11-I13 HydrophobicContact CG2-CG1 4.08Å; I11-L68 CarbonylContact C-O 3.51Å; I11-L68 WeakPolarHBondContact CA-O 3.47Å; I11-L68 HydrophobicContact CG1-CB 4.33Å; I11-I70 HydrophobicContact CG2-CB 4.39Å; I11-I70 HydrophobicContact CG2-CD1 3.46Å; I11-I70 VanDerWaalsContact CG2-CD1 3.46Å; I11-I70 HydrophobicContact CG2-CG1 3.89Å; I11-L78 HydrophobicContact CD1-CD2 3.7Å
12I68.8Low68.4Low3 Ų379.6 Ų79.62%0.01540%0.401CS..EExtended strand (participates in β ladder)trans-89.4121.9171.2-70-179.8000108.2I10 I14 L35 I39 F67 L68 I69 I70 P147I10-I12 PolarHBondContact O-N 3.39Å; I12-I14 HydrophobicContact CG2-CD1 4.17Å; I12-I14 HydrophobicContact CG2-CG1 3.88Å; I12-L35 HydrophobicContact CB-CD1 4.48Å; I12-L35 HydrophobicContact CD1-CD1 3.91Å; I12-L35 HydrophobicContact CG2-CD1 3.26Å; I12-I39 HydrophobicContact CD1-CG1 4.21Å; I12-F67 HydrophobicContact CD1-CB 4.13Å; I12-F67 HydrophobicContact CD1-CD1 3.25Å; I12-F67 HydrophobicContact CD1-CE1 3.82Å; I12-F67 HydrophobicContact CD1-CG 3.94Å; I12-F67 HydrophobicContact CG1-CD1 3.77Å; I12-F67 HydrophobicContact CG1-CE1 4.43Å; I12-L68 PolarHBondContact N-O 3.1Å; I12-L68 VanDerWaalsContact O-O 3.04Å; I12-I69 HydrophobicContact CB-CG1 4.32Å; I12-I69 HydrophobicContact CG2-CG1 4.45Å; I12-I69 WeakPolarHBondContact O-CA 3.36Å; I12-I70 PolarHBondContact O-N 3.11Å; I12-P147 HydrophobicContact CD1-CB 3.98Å; I12-P147 HydrophobicContact CD1-CG 3.72Å
13I70.9Confident71.3Confident15 Ų1579.2 Ų79.28%0.07739%0.394CS..EExtended strand (participates in β ladder)trans-102.3119.3-178-63.8165.1000109.3M1 I11 I70 R72 I75M1-I13 HydrophobicContact CE-CD1 4.1Å; M1-I13 HydrophobicContact CE-CG2 3.94Å; M1-I13 HydrophobicContact SD-CB 3.83Å; M1-I13 HydrophobicContact SD-CD1 3.67Å; M1-I13 HydrophobicContact SD-CG1 4.35Å; M1-I13 HydrophobicContact SD-CG2 3.47Å; M1-I13 WeakPolarHBondContact SD-CG2 3.45Å; I11-I13 HydrophobicContact CG2-CG1 4.08Å; I13-I70 WeakPolarHBondContact CA-O 3.32Å; I13-R72 HydrophobicContact CG2-CB 4.42Å; I13-R72 HydrophobicContact CG2-CG 3.28Å; I13-I75 HydrophobicContact CB-CD1 4.37Å; I13-I75 HydrophobicContact CD1-CD1 3.54Å; I13-I75 HydrophobicContact CG1-CD1 3.79Å; I13-I75 HydrophobicContact CG1-CG1 4.46Å; I13-I75 HydrophobicContact CG2-CD1 3.66Å
14I78.5Confident73.8Confident3 Ų375.4 Ų75.42%0.01538%0.378CS..EExtended strand (participates in β ladder)trans-115.2123.1-179.9-56.2-173.1000110.1I12 I27 T31 L35 I69 I70 N71 I196I12-I14 HydrophobicContact CG2-CD1 4.17Å; I12-I14 HydrophobicContact CG2-CG1 3.88Å; I14-I27 HydrophobicContact CG2-CD1 3.55Å; I14-I27 HydrophobicContact CG2-CG1 3.85Å; I14-T31 HydrophobicContact CG2-CG2 4.31Å; I14-L35 HydrophobicContact CD1-CD1 4.49Å; I14-L35 HydrophobicContact CD1-CD2 4.35Å; I14-I69 HydrophobicContact CB-CG2 4.45Å; I14-I69 HydrophobicContact CD1-CG2 3.56Å; I14-I69 HydrophobicContact CG1-CG2 3.99Å; I14-I70 PolarHBondContact N-O 2.94Å; I14-N71 WeakPolarHBondContact O-CA 3.43Å; I14-I196 HydrophobicContact CD1-CD1 3.33Å
15D82.4Confident76.1Confident49 Ų4973.1 Ų73.126%0.26237%0.368SS..  trans-80.2121.6166.1-82.8-32000110.6T31 R72D15-T31 HydrophobicContact CB-CG2 3.95Å; D15-R72 VanDerWaalsContact CG-CD 3.49Å; D15-R72 VanDerWaalsContact OD1-CB 3.25Å; D15-R72 WeakPolarHBondContact OD1-CB 3.49Å; D15-R72 WeakPolarHBondContact OD1-CD 3.45Å; D15-R72 WeakPolarHBondContact OD1-CG 3.18Å; D15-R72 IonicContact OD1-CZ 3.5Å; D15-R72 IonicContact OD1-NE 3.75Å; D15-R72 PolarHBondContact OD1-NE 3.35Å; D15-R72 IonicContact OD1-NH1 2.89Å; D15-R72 WeakPolarHBondContact OD2-CD 3.44Å; D15-R72 IonicContact OD2-CZ 3.68Å; D15-R72 IonicContact OD2-NE 3.76Å; D15-R72 PolarHBondContact OD2-NE 3.36Å; D15-R72 IonicContact OD2-NH1 3.74Å; D15-R72 PolarHBondContact OD2-NH1 2.89Å; D15-R72 IonicContact OD2-NH2 2.86Å
16Y87.5Confident78.4Confident52 Ų5267.6 Ų67.620%0.20434%0.339CS..  trans-130.6157.3168.869.4-97.2000112.4M18 K25 R26 N71 F223Y16-M18 HydrophobicContact CD2-CG 4.39Å; Y16-M18 HydrophobicContact CD2-SD 4.38Å; Y16-M18 HydrophobicContact CE2-CG 4.21Å; Y16-M18 HydrophobicContact CE2-SD 4.34Å; Y16-K25 HydrophobicContact CD1-CD 4.44Å; Y16-K25 HydrophobicContact CD2-CB 3.83Å; Y16-K25 HydrophobicContact CD2-CD 4.08Å; Y16-K25 HydrophobicContact CD2-CG 3.68Å; Y16-K25 HydrophobicContact CE1-CD 4.18Å; Y16-K25 HydrophobicContact CE2-CB 4.4Å; Y16-K25 HydrophobicContact CE2-CD 3.89Å; Y16-K25 HydrophobicContact CE2-CG 3.73Å; Y16-K25 HydrophobicContact CG-CB 4.11Å; Y16-K25 HydrophobicContact CG-CD 4.35Å; Y16-K25 HydrophobicContact CG-CG 4.27Å; Y16-R26 CarbonylContact C-O 3.54Å; Y16-R26 WeakPolarHBondContact CA-O 3.46Å; Y16-R26 WeakPolarHBondContact CB-O 3.33Å; Y16-N71 HydrophobicContact CD1-CB 4.23Å; Y16-N71 HydrophobicContact CE1-CB 3.51Å; Y16-N71 VanDerWaalsContact CE1-CG 3.42Å; Y16-N71 WeakPolarHBondContact CE1-ND2 3.33Å; Y16-N71 PolarHBondContact OH-ND2 3.46Å; Y16-F223 AromaticContact CD1-CE1 3.61Å; Y16-F223 HydrophobicContact CD1-CE1 3.61Å; Y16-F223 HydrophobicContact CD1-CZ 4.37Å; Y16-F223 HydrophobicContact CE1-CE1 4.19Å; Y16-F223 HydrophobicContact CG-CD1 4.43Å; Y16-F223 AromaticContact CG-CE1 3.84Å; Y16-F223 HydrophobicContact CG-CE1 3.84Å
17K89.3Confident80.8Confident124 Ų12463.9 Ų63.954%0.53932%0.319SS..BIsolated β-bridgetrans-116.4151.2171.3-65.1-173.2175.5-168.40109.6R26K17-R26 PolarHBondContact N-O 3.22Å; K17-R26 WeakPolarHBondContact O-CB 3.41Å; K17-R26 PolarHBondContact O-N 3.46Å
18M88.7Confident82.8Confident90 Ų9061.6 Ų61.644%0.44330%0.302SS..  trans-112.7139.4165.3-61.5-63.8-65.400106.6Y16 F24 K25Y16-M18 HydrophobicContact CD2-CG 4.39Å; Y16-M18 HydrophobicContact CD2-SD 4.38Å; Y16-M18 HydrophobicContact CE2-CG 4.21Å; Y16-M18 HydrophobicContact CE2-SD 4.34Å; M18-F24 VanDerWaalsContact CE-O 3.3Å; M18-F24 WeakPolarHBondContact CE-O 3.49Å; M18-F24 VanDerWaalsContact SD-O 3.35Å; M18-K25 HydrophobicContact CE-CG 4.47Å; M18-K25 WeakPolarHBondContact SD-CA 3.44Å; M18-K25 HydrophobicContact SD-CB 3.88Å; M18-K25 HydrophobicContact SD-CG 3.32Å; M18-K25 WeakPolarHBondContact SD-CG 3.3Å
19K91.2Very high84.5Confident102 Ų10257.4 Ų57.444%0.44328%0.279SS..  trans-97.1150.9163.5-60.7-173.8-166.4158.70108.1N21 E22K19-N21 PolarHBondContact O-N 3.4Å; K19-N21 VanDerWaalsContact O-N 3.15Å; K19-E22 HydrophobicContact CB-CB 4.35Å; K19-E22 HydrophobicContact CB-CG 4.19Å; K19-E22 WeakPolarHBondContact CB-OE2 3.42Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 WeakPolarHBondContact CG-OE2 3.43Å; K19-E22 IonicContact NZ-OE1 2.67Å; K19-E22 PolarHBondContact NZ-OE1 3.24Å; K19-E22 PolarHBondContact O-N 3.44Å; K19-E22 VanDerWaalsContact O-N 3.13Å
20D87.7Confident86.1Confident167 Ų16754.7 Ų54.789%0.89327%0.265SS*.THydrogen-bonded Turntrans-62.7-26.4-174-55.3-36.6000113.2
21N90.3Very high87.4Confident164 Ų16453.6 Ų53.688%0.87726%0.26SS*.THydrogen-bonded Turntrans-97.512.4-178.3-62.1-1.5000113.6K19K19-N21 PolarHBondContact O-N 3.4Å; K19-N21 VanDerWaalsContact O-N 3.15Å
22E92.4Very high88.6Confident32 Ų3251.8 Ų51.815%0.1525%0.251CS..  trans-128.7135.3-174.7-67.1173.8167.100111.2K19 F24 R26K19-E22 HydrophobicContact CB-CB 4.35Å; K19-E22 HydrophobicContact CB-CG 4.19Å; K19-E22 WeakPolarHBondContact CB-OE2 3.42Å; K19-E22 WeakPolarHBondContact CD-OE2 3.49Å; K19-E22 WeakPolarHBondContact CG-OE2 3.43Å; K19-E22 IonicContact NZ-OE1 2.67Å; K19-E22 PolarHBondContact NZ-OE1 3.24Å; K19-E22 PolarHBondContact O-N 3.44Å; K19-E22 VanDerWaalsContact O-N 3.13Å; E22-F24 VanDerWaalsContact C-N 3.32Å; E22-F24 HydrophobicContact CB-CD1 4.22Å; E22-F24 HydrophobicContact CB-CE1 3.88Å; E22-F24 HydrophobicContact CB-CE2 4.34Å; E22-F24 HydrophobicContact CB-CZ 3.95Å; E22-F24 HydrophobicContact CG-CE1 3.88Å; E22-F24 HydrophobicContact CG-CE2 4.33Å; E22-F24 HydrophobicContact CG-CZ 3.67Å; E22-R26 VanDerWaalsContact CD-NE 3.28Å; E22-R26 IonicContact OE1-CZ 3.39Å; E22-R26 VanDerWaalsContact OE1-CZ 3.27Å; E22-R26 IonicContact OE1-NE 3.31Å; E22-R26 PolarHBondContact OE1-NE 3.14Å; E22-R26 VanDerWaalsContact OE1-NE 3.13Å; E22-R26 IonicContact OE1-NH2 3.84Å; E22-R26 PolarHBondContact OE1-NH2 3.43Å; E22-R26 WeakPolarHBondContact OE2-CD 3.47Å; E22-R26 IonicContact OE2-CZ 3.22Å; E22-R26 IonicContact OE2-NE 3.81Å; E22-R26 PolarHBondContact OE2-NE 3.48Å; E22-R26 IonicContact OE2-NH2 3.42Å
23I93.4Very high89.8Confident88 Ų8851.7 Ų51.745%0.45125%0.25SS..SBendtrans-90.13.1178.660.9175.1000113.2V215 Q216I23-V215 HydrophobicContact CB-CG1 4.24Å; I23-V215 HydrophobicContact CD1-CB 3.92Å; I23-V215 HydrophobicContact CD1-CG1 3.8Å; I23-V215 HydrophobicContact CG1-CB 4.1Å; I23-V215 HydrophobicContact CG1-CG1 3.95Å; I23-Q216 HydrophobicContact CD1-CG 3.7Å
24F93.8Very high90.7Very high3 Ų351.5 Ų51.51%0.01325%0.249CC..SBendtrans-120156.7-176.858.1-96.1000111.5M18 E22 R26 P208 A211 S212 V215 L222 M224M18-F24 VanDerWaalsContact CE-O 3.3Å; M18-F24 WeakPolarHBondContact CE-O 3.49Å; M18-F24 VanDerWaalsContact SD-O 3.35Å; E22-F24 VanDerWaalsContact C-N 3.32Å; E22-F24 HydrophobicContact CB-CD1 4.22Å; E22-F24 HydrophobicContact CB-CE1 3.88Å; E22-F24 HydrophobicContact CB-CE2 4.34Å; E22-F24 HydrophobicContact CB-CZ 3.95Å; E22-F24 HydrophobicContact CG-CE1 3.88Å; E22-F24 HydrophobicContact CG-CE2 4.33Å; E22-F24 HydrophobicContact CG-CZ 3.67Å; F24-R26 HydrophobicContact CD2-CG 4.3Å; F24-R26 HydrophobicContact CE2-CG 3.99Å; F24-P208 HydrophobicContact CE1-CB 4.35Å; F24-P208 HydrophobicContact CZ-CB 3.93Å; F24-A211 HydrophobicContact CB-CB 4.14Å; F24-A211 HydrophobicContact CD1-CB 3.77Å; F24-A211 HydrophobicContact CD2-CB 4.09Å; F24-A211 HydrophobicContact CE1-CB 4.18Å; F24-A211 HydrophobicContact CE2-CB 4.47Å; F24-A211 HydrophobicContact CG-CB 3.73Å; F24-S212 WeakPolarHBondContact CE1-OG 3.49Å; F24-V215 HydrophobicContact CB-CG2 3.91Å; F24-L222 HydrophobicContact CB-CD2 4.16Å; F24-M224 HydrophobicContact CD2-CB 3.72Å; F24-M224 HydrophobicContact CD2-SD 4.26Å; F24-M224 HydrophobicContact CE2-CB 3.81Å; F24-M224 HydrophobicContact CE2-CE 4.33Å; F24-M224 HydrophobicContact CE2-CG 4.24Å; F24-M224 HydrophobicContact CE2-SD 3.45Å; F24-M224 WeakPolarHBondContact CE2-SD 3.15Å; F24-M224 HydrophobicContact CZ-SD 3.84Å
25K94Very high91.3Very high58 Ų5851.7 Ų51.725%0.25225%0.25SS..EExtended strand (participates in β ladder)trans-85.8144.8179.6-63.1164.1-172.8159.50110.5Y16 M18 C220 F223 M224Y16-K25 HydrophobicContact CD1-CD 4.44Å; Y16-K25 HydrophobicContact CD2-CB 3.83Å; Y16-K25 HydrophobicContact CD2-CD 4.08Å; Y16-K25 HydrophobicContact CD2-CG 3.68Å; Y16-K25 HydrophobicContact CE1-CD 4.18Å; Y16-K25 HydrophobicContact CE2-CB 4.4Å; Y16-K25 HydrophobicContact CE2-CD 3.89Å; Y16-K25 HydrophobicContact CE2-CG 3.73Å; Y16-K25 HydrophobicContact CG-CB 4.11Å; Y16-K25 HydrophobicContact CG-CD 4.35Å; Y16-K25 HydrophobicContact CG-CG 4.27Å; M18-K25 HydrophobicContact CE-CG 4.47Å; M18-K25 WeakPolarHBondContact SD-CA 3.44Å; M18-K25 HydrophobicContact SD-CB 3.88Å; M18-K25 HydrophobicContact SD-CG 3.32Å; M18-K25 WeakPolarHBondContact SD-CG 3.3Å; K25-C220 PolarHBondContact NZ-O 3.16Å; K25-F223 HydrophobicContact CB-CD1 3.33Å; K25-F223 HydrophobicContact CB-CE1 3.6Å; K25-F223 HydrophobicContact CB-CG 4.11Å; K25-F223 HydrophobicContact CB-CZ 4.5Å; K25-F223 HydrophobicContact CD-CD1 3.97Å; K25-F223 HydrophobicContact CD-CE1 3.37Å; K25-F223 HydrophobicContact CD-CE2 4.26Å; K25-F223 HydrophobicContact CD-CZ 3.54Å; K25-F223 HydrophobicContact CG-CD1 4.27Å; K25-F223 HydrophobicContact CG-CE1 4.07Å; K25-F223 CarbonylContact O-C 3.46Å; K25-F223 VanDerWaalsContact O-CA 3.3Å; K25-F223 WeakPolarHBondContact O-CA 3.41Å; K25-M224 PolarHBondContact O-N 3.32Å
26R94.3Very high91.7Very high13 Ų1349.7 Ų49.75%0.04924%0.239CC..EExtended strand (participates in β ladder)trans-113.8126.9178.5-79.4-179.6173.9-97.5-1.9112.4Y16 K17 E22 F24 E204 M224 S226Y16-R26 CarbonylContact C-O 3.54Å; Y16-R26 WeakPolarHBondContact CA-O 3.46Å; Y16-R26 WeakPolarHBondContact CB-O 3.33Å; K17-R26 PolarHBondContact N-O 3.22Å; K17-R26 WeakPolarHBondContact O-CB 3.41Å; K17-R26 PolarHBondContact O-N 3.46Å; E22-R26 VanDerWaalsContact CD-NE 3.28Å; E22-R26 IonicContact OE1-CZ 3.39Å; E22-R26 VanDerWaalsContact OE1-CZ 3.27Å; E22-R26 IonicContact OE1-NE 3.31Å; E22-R26 PolarHBondContact OE1-NE 3.14Å; E22-R26 VanDerWaalsContact OE1-NE 3.13Å; E22-R26 IonicContact OE1-NH2 3.84Å; E22-R26 PolarHBondContact OE1-NH2 3.43Å; E22-R26 WeakPolarHBondContact OE2-CD 3.47Å; E22-R26 IonicContact OE2-CZ 3.22Å; E22-R26 IonicContact OE2-NE 3.81Å; E22-R26 PolarHBondContact OE2-NE 3.48Å; E22-R26 IonicContact OE2-NH2 3.42Å; F24-R26 HydrophobicContact CD2-CG 4.3Å; F24-R26 HydrophobicContact CE2-CG 3.99Å; R26-E204 IonicContact CZ-OE2 2.66Å; R26-E204 IonicContact NH1-OE1 3.48Å; R26-E204 PolarHBondContact NH1-OE1 3.27Å; R26-E204 IonicContact NH1-OE2 3.92Å; R26-E204 PolarHBondContact NH1-OE2 3.2Å; R26-E204 IonicContact NH2-OE2 3.13Å; R26-E204 PolarHBondContact NH2-OE2 3.12Å; R26-M224 WeakPolarHBondContact CA-O 3.3Å; R26-M224 HydrophobicContact CG-CB 4.49Å; R26-S226 WeakPolarHBondContact CB-OG 3.5Å
27I93.5Very high91.8Very high3 Ų348.2 Ų48.22%0.01524%0.235CC..EExtended strand (participates in β ladder)trans-109.7144.2174.2-60.2173.3000108.7I14 T31 F32 I198 F223 M224 S226I14-I27 HydrophobicContact CG2-CD1 3.55Å; I14-I27 HydrophobicContact CG2-CG1 3.85Å; I27-T31 HydrophobicContact CG2-CG2 3.77Å; I27-F32 HydrophobicContact CG2-CB 4.46Å; I27-I198 HydrophobicContact CD1-CD1 4.4Å; I27-F223 HydrophobicContact CD1-CB 3.46Å; I27-F223 VanDerWaalsContact CD1-CB 3.46Å; I27-F223 HydrophobicContact CD1-CD1 3.44Å; I27-F223 VanDerWaalsContact CD1-CD1 3.44Å; I27-F223 HydrophobicContact CD1-CD2 4.35Å; I27-F223 HydrophobicContact CD1-CE1 4.21Å; I27-F223 HydrophobicContact CD1-CG 3.49Å; I27-F223 VanDerWaalsContact CD1-CG 3.49Å; I27-F223 HydrophobicContact CG1-CB 3.89Å; I27-F223 HydrophobicContact CG1-CD1 3.53Å; I27-F223 HydrophobicContact CG1-CE1 4.36Å; I27-F223 HydrophobicContact CG1-CG 4Å; I27-M224 PolarHBondContact N-O 3.34Å; I27-S226 WeakPolarHBondContact O-CB 3.21Å; I27-S226 PolarHBondContact O-N 3.36Å; I27-S226 PolarHBondContact O-OG 3Å
28K93.6Very high91.6Very high98 Ų9843.6 Ų43.643%0.42622%0.215SC..EExtended strand (participates in β ladder)trans-87.8154174.6-61.3-177.5170-167.60111.5T31 F32K28-T31 WeakPolarHBondContact O-CA 3.23Å; K28-T31 WeakPolarHBondContact O-CB 3.45Å; K28-T31 PolarHBondContact O-N 3.41Å; K28-F32 PolarHBondContact O-N 2.99Å
29I93.7Very high91.4Very high1 Ų139.8 Ų39.81%0.00520%0.197CC..Hα-helixtrans-48.8-50.1174.4-52.5-64.8000112.9T31 F32 V33 L225 V231 A232 L235 F236 L240I29-T31 PolarHBondContact O-N 3.4Å; I29-F32 WeakPolarHBondContact O-CB 3.27Å; I29-F32 PolarHBondContact O-N 3.49Å; I29-F32 VanDerWaalsContact O-N 3.08Å; I29-V33 HydrophobicContact CG2-CG2 4.32Å; I29-V33 WeakPolarHBondContact O-CG2 3.37Å; I29-V33 PolarHBondContact O-N 3.23Å; I29-L225 HydrophobicContact CD1-CD1 3.86Å; I29-L225 HydrophobicContact CD1-CD2 3.4Å; I29-L225 HydrophobicContact CD1-CG 3.4Å; I29-L225 VanDerWaalsContact CD1-CG 3.4Å; I29-V231 HydrophobicContact CG1-CB 4.29Å; I29-V231 HydrophobicContact CG1-CG1 3.96Å; I29-A232 HydrophobicContact CD1-CB 4.07Å; I29-A232 HydrophobicContact CG1-CB 4.49Å; I29-A232 HydrophobicContact CG2-CB 4.37Å; I29-L235 HydrophobicContact CB-CD1 4.42Å; I29-F236 HydrophobicContact CG2-CD2 3.63Å; I29-F236 HydrophobicContact CG2-CE2 3.89Å; I29-L240 HydrophobicContact CG2-CD2 3.73Å
30P92.6Very high91.2Very high7 Ų736.4 Ų36.45%0.04519%0.186CC..Hα-helixtrans-63-30.1-179.7-23.536000113.7Q34 L235 F236 V335 I341P30-Q34 VanDerWaalsContact O-CG 3.27Å; P30-Q34 WeakPolarHBondContact O-CG 3.37Å; P30-Q34 PolarHBondContact O-N 2.91Å; P30-L235 HydrophobicContact CG-CD1 3.95Å; P30-F236 HydrophobicContact CB-CE2 4.36Å; P30-F236 HydrophobicContact CB-CZ 4.44Å; P30-F236 HydrophobicContact CG-CE2 4.19Å; P30-V335 HydrophobicContact CB-CG2 4.27Å; P30-V335 HydrophobicContact CG-CG1 4.32Å; P30-V335 HydrophobicContact CG-CG2 4.1Å; P30-I341 HydrophobicContact CB-CD1 3.48Å; P30-I341 VanDerWaalsContact CB-CD1 3.48Å; P30-I341 HydrophobicContact CG-CD1 4.09Å
31T91.5Very high91Very high15 Ų1532.6 Ų32.69%0.09216%0.163CC..Hα-helixtrans-70.8-38.5175.8-54.70000111.1I14 D15 I27 K28 I29 Q34 L35I14-T31 HydrophobicContact CG2-CG2 4.31Å; D15-T31 HydrophobicContact CB-CG2 3.95Å; I27-T31 HydrophobicContact CG2-CG2 3.77Å; K28-T31 WeakPolarHBondContact O-CA 3.23Å; K28-T31 WeakPolarHBondContact O-CB 3.45Å; K28-T31 PolarHBondContact O-N 3.41Å; I29-T31 PolarHBondContact O-N 3.4Å; T31-Q34 WeakPolarHBondContact O-CB 3.41Å; T31-Q34 PolarHBondContact O-N 3.12Å; T31-L35 PolarHBondContact O-N 2.97Å; T31-L35 VanDerWaalsContact O-N 3.07Å
32F93.4Very high90.5Very high1 Ų125 Ų250%0.00412%0.122CC..Hα-helixtrans-65.5-41.5173174.9-113.6000111.9I27 K28 I29 Q34 L35 I36 Y148 L150 I164 I198 L225 L240I27-F32 HydrophobicContact CG2-CB 4.46Å; K28-F32 PolarHBondContact O-N 2.99Å; I29-F32 WeakPolarHBondContact O-CB 3.27Å; I29-F32 PolarHBondContact O-N 3.49Å; I29-F32 VanDerWaalsContact O-N 3.08Å; F32-Q34 VanDerWaalsContact C-N 3.31Å; F32-Q34 PolarHBondContact O-N 2.89Å; F32-L35 HydrophobicContact CD2-CD2 4.26Å; F32-L35 VanDerWaalsContact O-CB 3.27Å; F32-L35 WeakPolarHBondContact O-CB 3.24Å; F32-L35 PolarHBondContact O-N 3.45Å; F32-L35 VanDerWaalsContact O-N 3.1Å; F32-I36 HydrophobicContact CD1-CD1 3.81Å; F32-I36 HydrophobicContact CE1-CD1 3.31Å; F32-I36 HydrophobicContact CE1-CG1 4.23Å; F32-I36 HydrophobicContact CE2-CD1 4.16Å; F32-I36 HydrophobicContact CE2-CG1 4.22Å; F32-I36 HydrophobicContact CG-CD1 4.42Å; F32-I36 HydrophobicContact CZ-CD1 3.5Å; F32-I36 VanDerWaalsContact CZ-CD1 3.5Å; F32-I36 HydrophobicContact CZ-CG1 3.95Å; F32-I36 PolarHBondContact O-N 3.15Å; F32-Y148 AromaticContact CE2-CD2 3.96Å; F32-Y148 HydrophobicContact CE2-CD2 3.96Å; F32-Y148 AromaticContact CE2-CE2 3.77Å; F32-Y148 HydrophobicContact CE2-CE2 3.77Å; F32-Y148 HydrophobicContact CE2-CG 4.47Å; F32-Y148 AromaticContact CZ-CE2 3.92Å; F32-Y148 HydrophobicContact CZ-CE2 3.92Å; F32-L150 HydrophobicContact CE1-CD2 4.14Å; F32-L150 HydrophobicContact CZ-CD1 4.38Å; F32-L150 HydrophobicContact CZ-CD2 3.78Å; F32-I164 HydrophobicContact CE1-CG2 3.89Å; F32-I198 HydrophobicContact CD2-CD1 3.56Å; F32-I198 HydrophobicContact CE2-CD1 3.78Å; F32-L225 HydrophobicContact CB-CD1 3.65Å; F32-L225 HydrophobicContact CD1-CD1 4.38Å; F32-L225 HydrophobicContact CG-CD1 4.05Å; F32-L240 HydrophobicContact CD1-CD1 4.45Å; F32-L240 HydrophobicContact CE1-CD1 4.18Å
33V93.2Very high90Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-62.5-40.1174179.50000111.3I29 L35 I36 L37 F236 L240 L327 I331I29-V33 HydrophobicContact CG2-CG2 4.32Å; I29-V33 WeakPolarHBondContact O-CG2 3.37Å; I29-V33 PolarHBondContact O-N 3.23Å; V33-L35 VanDerWaalsContact C-N 3.27Å; V33-L35 PolarHBondContact O-N 3.12Å; V33-I36 PolarHBondContact O-N 3.05Å; V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.36Å; V33-F236 HydrophobicContact CB-CE1 4.31Å; V33-F236 HydrophobicContact CB-CE2 4.36Å; V33-F236 HydrophobicContact CB-CZ 4.04Å; V33-F236 HydrophobicContact CG1-CD1 4.45Å; V33-F236 HydrophobicContact CG1-CE1 3.94Å; V33-F236 HydrophobicContact CG1-CZ 4.15Å; V33-F236 HydrophobicContact CG2-CD1 4.24Å; V33-F236 HydrophobicContact CG2-CD2 3.89Å; V33-F236 HydrophobicContact CG2-CE1 4.09Å; V33-F236 HydrophobicContact CG2-CE2 3.72Å; V33-F236 HydrophobicContact CG2-CG 4.15Å; V33-F236 HydrophobicContact CG2-CZ 3.83Å; V33-L240 HydrophobicContact CG2-CD1 4.09Å; V33-L240 HydrophobicContact CG2-CD2 4.06Å; V33-L327 HydrophobicContact CG1-CB 3.79Å; V33-L327 HydrophobicContact CG1-CD1 4.16Å; V33-L327 HydrophobicContact CG1-CD2 3.83Å; V33-L327 HydrophobicContact CG1-CG 4.13Å; V33-L327 HydrophobicContact CG2-CD2 4.25Å; V33-I331 HydrophobicContact CB-CD1 3.95Å; V33-I331 HydrophobicContact CG1-CD1 3.44Å; V33-I331 VanDerWaalsContact CG1-CD1 3.44Å; V33-I331 HydrophobicContact CG1-CG1 4.19Å
34Q90.4Very high89.5Confident12 Ų1229.6 Ų29.66%0.05614%0.14CC..Hα-helixtrans-59.3-38.2173.4-76.3175.5-11.500112.8P30 T31 F32 L37 Q38 I331 Y345P30-Q34 VanDerWaalsContact O-CG 3.27Å; P30-Q34 WeakPolarHBondContact O-CG 3.37Å; P30-Q34 PolarHBondContact O-N 2.91Å; T31-Q34 WeakPolarHBondContact O-CB 3.41Å; T31-Q34 PolarHBondContact O-N 3.12Å; F32-Q34 VanDerWaalsContact C-N 3.31Å; F32-Q34 PolarHBondContact O-N 2.89Å; Q34-L37 PolarHBondContact O-N 3.27Å; Q34-Q38 VanDerWaalsContact O-CG 3.28Å; Q34-Q38 WeakPolarHBondContact O-CG 3.38Å; Q34-Q38 PolarHBondContact O-N 2.94Å; Q34-I331 HydrophobicContact CG-CD1 3.9Å; Q34-Y345 HydrophobicContact CG-CE2 4.5Å
35L89.7Confident88.7Confident7 Ų733 Ų334%0.03716%0.156CC..Hα-helixtrans-61.3-49.8174.3171.866.6000111I12 I14 T31 F32 V33 L37 Q38 I39 Y148 I196 I198I12-L35 HydrophobicContact CB-CD1 4.48Å; I12-L35 HydrophobicContact CD1-CD1 3.91Å; I12-L35 HydrophobicContact CG2-CD1 3.26Å; I14-L35 HydrophobicContact CD1-CD1 4.49Å; I14-L35 HydrophobicContact CD1-CD2 4.35Å; T31-L35 PolarHBondContact O-N 2.97Å; T31-L35 VanDerWaalsContact O-N 3.07Å; F32-L35 HydrophobicContact CD2-CD2 4.26Å; F32-L35 VanDerWaalsContact O-CB 3.27Å; F32-L35 WeakPolarHBondContact O-CB 3.24Å; F32-L35 PolarHBondContact O-N 3.45Å; F32-L35 VanDerWaalsContact O-N 3.1Å; V33-L35 VanDerWaalsContact C-N 3.27Å; V33-L35 PolarHBondContact O-N 3.12Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.42Å; L35-Q38 WeakPolarHBondContact O-CB 3.27Å; L35-Q38 PolarHBondContact O-N 3.38Å; L35-Q38 VanDerWaalsContact O-N 3.15Å; L35-I39 HydrophobicContact CD1-CD1 3.77Å; L35-I39 HydrophobicContact CD1-CG1 4.25Å; L35-I39 HydrophobicContact CG-CD1 3.76Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.3Å; L35-I39 PolarHBondContact O-N 2.6Å; L35-Y148 HydrophobicContact CD2-CD1 3.94Å; L35-Y148 HydrophobicContact CD2-CG 4.16Å; L35-Y148 HydrophobicContact CG-CD1 4.3Å; L35-I196 HydrophobicContact CD2-CD1 4.04Å; L35-I198 HydrophobicContact CD2-CD1 4.3Å
36I90.7Very high87.8Confident6 Ų634.1 Ų34.13%0.03116%0.162CC..Hα-helixtrans-56.2-47.3177.6-66.6158.4000111F32 V33 Q38 I39 S40 L240 F319 I324 L327F32-I36 HydrophobicContact CD1-CD1 3.81Å; F32-I36 HydrophobicContact CE1-CD1 3.31Å; F32-I36 HydrophobicContact CE1-CG1 4.23Å; F32-I36 HydrophobicContact CE2-CD1 4.16Å; F32-I36 HydrophobicContact CE2-CG1 4.22Å; F32-I36 HydrophobicContact CG-CD1 4.42Å; F32-I36 HydrophobicContact CZ-CD1 3.5Å; F32-I36 VanDerWaalsContact CZ-CD1 3.5Å; F32-I36 HydrophobicContact CZ-CG1 3.95Å; F32-I36 PolarHBondContact O-N 3.15Å; V33-I36 PolarHBondContact O-N 3.05Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.02Å; I36-I39 PolarHBondContact O-N 3.28Å; I36-S40 WeakPolarHBondContact O-CB 3.36Å; I36-S40 PolarHBondContact O-N 3.31Å; I36-L240 HydrophobicContact CD1-CD1 4.08Å; I36-F319 HydrophobicContact CD1-CE1 4.08Å; I36-F319 HydrophobicContact CD1-CE2 3.8Å; I36-F319 HydrophobicContact CD1-CZ 3.34Å; I36-F319 HydrophobicContact CG1-CE2 3.92Å; I36-F319 HydrophobicContact CG1-CZ 4Å; I36-F319 HydrophobicContact CG2-CD1 4.27Å; I36-F319 HydrophobicContact CG2-CD2 3.79Å; I36-F319 HydrophobicContact CG2-CE1 4.21Å; I36-F319 HydrophobicContact CG2-CE2 3.73Å; I36-F319 HydrophobicContact CG2-CG 4.08Å; I36-F319 HydrophobicContact CG2-CZ 3.97Å; I36-I324 HydrophobicContact CG2-CD1 3.84Å; I36-L327 HydrophobicContact CG2-CD1 4.34Å
37L90.1Very high87Confident21 Ų2139.3 Ų39.311%0.1119%0.187CC..Hα-helixtrans-61.7-40178.9-67.1-176.1000112.2V33 Q34 L35 E41 I324 L327 T328 I331V33-L37 HydrophobicContact CG1-CG 4.46Å; V33-L37 WeakPolarHBondContact O-CG 3.24Å; V33-L37 PolarHBondContact O-N 3.36Å; Q34-L37 PolarHBondContact O-N 3.27Å; L35-L37 VanDerWaalsContact C-N 3.32Å; L35-L37 PolarHBondContact O-N 3.42Å; L37-E41 WeakPolarHBondContact O-CB 3.37Å; L37-E41 PolarHBondContact O-N 2.95Å; L37-I324 HydrophobicContact CD2-CG2 3.82Å; L37-L327 HydrophobicContact CD2-CB 4.11Å; L37-T328 WeakPolarHBondContact CD2-OG1 2.99Å; L37-I331 HydrophobicContact CD1-CD1 3.71Å
38Q84.6Confident86.1Confident28 Ų2844 Ų4413%0.13121%0.209CC..Hα-helixtrans-63.8-42.4176.2-75.6176.7-11.900111.9Q34 L35 I36 E41 V42 Y345Q34-Q38 VanDerWaalsContact O-CG 3.28Å; Q34-Q38 WeakPolarHBondContact O-CG 3.38Å; Q34-Q38 PolarHBondContact O-N 2.94Å; L35-Q38 WeakPolarHBondContact O-CB 3.27Å; L35-Q38 PolarHBondContact O-N 3.38Å; L35-Q38 VanDerWaalsContact O-N 3.15Å; I36-Q38 VanDerWaalsContact C-N 3.32Å; I36-Q38 PolarHBondContact O-N 3.02Å; Q38-E41 PolarHBondContact O-N 2.85Å; Q38-V42 WeakPolarHBondContact O-CG2 2.85Å; Q38-V42 PolarHBondContact O-N 3.19Å; Q38-V42 VanDerWaalsContact O-N 3.12Å; Q38-Y345 PolarHBondContact NE2-OH 2.85Å
39I85.2Confident85.1Confident9 Ų943.6 Ų43.65%0.04621%0.211CC..Hα-helixtrans-65.8-46.3178.8-65.6162.1000110.3I12 L35 I36 E41 V42 Q43 P147 Y148I12-I39 HydrophobicContact CD1-CG1 4.21Å; L35-I39 HydrophobicContact CD1-CD1 3.77Å; L35-I39 HydrophobicContact CD1-CG1 4.25Å; L35-I39 HydrophobicContact CG-CD1 3.76Å; L35-I39 VanDerWaalsContact O-CG1 3.31Å; L35-I39 WeakPolarHBondContact O-CG1 3.3Å; L35-I39 PolarHBondContact O-N 2.6Å; I36-I39 PolarHBondContact O-N 3.28Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.7Å; I39-V42 WeakPolarHBondContact O-CB 3.48Å; I39-V42 PolarHBondContact O-N 3.42Å; I39-V42 VanDerWaalsContact O-N 3.1Å; I39-Q43 HydrophobicContact CG2-CG 4.3Å; I39-Q43 WeakPolarHBondContact O-CG 3.25Å; I39-Q43 PolarHBondContact O-N 3.2Å; I39-P147 HydrophobicContact CD1-CG 3.42Å; I39-P147 VanDerWaalsContact CD1-CG 3.42Å; I39-P147 HydrophobicContact CG1-CG 3.64Å; I39-Y148 HydrophobicContact CD1-CD1 3.4Å; I39-Y148 HydrophobicContact CD1-CE1 3.42Å; I39-Y148 VanDerWaalsContact CD1-CE1 3.42Å
40S86.3Confident83.9Confident32 Ų3248.3 Ų48.322%0.22424%0.236CC..Hα-helixtrans-59-42.3177.4-178.20000111.9I36 V42 Q43 K44I36-S40 WeakPolarHBondContact O-CB 3.36Å; I36-S40 PolarHBondContact O-N 3.31Å; S40-V42 VanDerWaalsContact C-N 3.31Å; S40-V42 PolarHBondContact O-N 2.91Å; S40-Q43 PolarHBondContact O-N 3.15Å; S40-K44 WeakPolarHBondContact O-CB 3.12Å; S40-K44 PolarHBondContact O-N 3.37Å
41E84.8Confident82.8Confident87 Ų8754.9 Ų54.941%0.40727%0.266SS..Hα-helixtrans-62.8-38.1176.3-163.5-164.5145.100112.1K3 L37 Q38 I39 Q45K3-E41 IonicContact NZ-OE1 3Å; K3-E41 PolarHBondContact NZ-OE1 2.95Å; K3-E41 IonicContact NZ-OE2 2.98Å; L37-E41 WeakPolarHBondContact O-CB 3.37Å; L37-E41 PolarHBondContact O-N 2.95Å; Q38-E41 PolarHBondContact O-N 2.85Å; I39-E41 VanDerWaalsContact C-N 3.32Å; I39-E41 PolarHBondContact O-N 2.7Å; E41-Q45 WeakPolarHBondContact O-CG 3.46Å; E41-Q45 PolarHBondContact O-N 3.47Å; E41-Q45 VanDerWaalsContact O-N 3.15Å; E41-Q45 PolarHBondContact OE1-NE2 3.45Å
42V79.6Confident81.3Confident3 Ų360.5 Ų60.52%0.01830%0.295CS..Hα-helixtrans-70.3-46179.1165.70000111.6I10 Q38 I39 S40 K44 Q45 Q46 F67I10-V42 HydrophobicContact CD1-CB 4.13Å; I10-V42 HydrophobicContact CD1-CG1 3.23Å; I10-V42 HydrophobicContact CD1-CG2 3.79Å; I10-V42 HydrophobicContact CG2-CG2 3.82Å; Q38-V42 WeakPolarHBondContact O-CG2 2.85Å; Q38-V42 PolarHBondContact O-N 3.19Å; Q38-V42 VanDerWaalsContact O-N 3.12Å; I39-V42 WeakPolarHBondContact O-CB 3.48Å; I39-V42 PolarHBondContact O-N 3.42Å; I39-V42 VanDerWaalsContact O-N 3.1Å; S40-V42 VanDerWaalsContact C-N 3.31Å; S40-V42 PolarHBondContact O-N 2.91Å; V42-K44 PolarHBondContact O-N 2.91Å; V42-Q45 WeakPolarHBondContact O-CB 3.12Å; V42-Q45 PolarHBondContact O-N 2.89Å; V42-Q45 VanDerWaalsContact O-N 3.12Å; V42-Q46 HydrophobicContact CG1-CG 4.49Å; V42-Q46 WeakPolarHBondContact O-CG 3.24Å; V42-Q46 PolarHBondContact O-N 3.02Å; V42-F67 HydrophobicContact CB-CE1 4.49Å; V42-F67 HydrophobicContact CG1-CE1 3.98Å; V42-F67 HydrophobicContact CG1-CZ 3.81Å
43Q81.8Confident79.6Confident86 Ų8665.6 Ų65.640%0.40232%0.322SS..Hα-helixtrans-58.7-40.7176.3-72.2173.8-31.900110.7I39 S40 Q45 Q46 Q47I39-Q43 HydrophobicContact CG2-CG 4.3Å; I39-Q43 WeakPolarHBondContact O-CG 3.25Å; I39-Q43 PolarHBondContact O-N 3.2Å; S40-Q43 PolarHBondContact O-N 3.15Å; Q43-Q45 PolarHBondContact O-N 3.38Å; Q43-Q46 PolarHBondContact O-N 3Å; Q43-Q47 WeakPolarHBondContact O-CG 3.48Å; Q43-Q47 PolarHBondContact O-N 3.41Å
44K82.8Confident77.9Confident131 Ų13172.5 Ų72.557%0.5736%0.359SS*.Hα-helixtrans-63-39.1175.9-152.5175.8-170.1175.50112.7S40 V42 Q48S40-K44 WeakPolarHBondContact O-CB 3.12Å; S40-K44 PolarHBondContact O-N 3.37Å; V42-K44 PolarHBondContact O-N 2.91Å; K44-Q48 VanDerWaalsContact O-CG 3.32Å; K44-Q48 WeakPolarHBondContact O-CG 3.48Å; K44-Q48 PolarHBondContact O-N 3.12Å; K44-Q48 VanDerWaalsContact O-N 3.14Å
45Q77Confident76.2Confident74 Ų7480.1 Ų80.135%0.34640%0.395SS..Hα-helixtrans-67.9-39.7175.4-73174.6-500112.1K3 E41 V42 Q43 Q48 N49K3-Q45 VanDerWaalsContact NZ-CD 3.28Å; E41-Q45 WeakPolarHBondContact O-CG 3.46Å; E41-Q45 PolarHBondContact O-N 3.47Å; E41-Q45 VanDerWaalsContact O-N 3.15Å; E41-Q45 PolarHBondContact OE1-NE2 3.45Å; V42-Q45 WeakPolarHBondContact O-CB 3.12Å; V42-Q45 PolarHBondContact O-N 2.89Å; V42-Q45 VanDerWaalsContact O-N 3.12Å; Q43-Q45 PolarHBondContact O-N 3.38Å; Q45-Q48 PolarHBondContact O-N 2.75Å; Q45-N49 WeakPolarHBondContact O-CB 3.01Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 2.91Å; Q45-N49 PolarHBondContact O-ND2 2.67Å
46Q74.7Confident74.4Confident83 Ų8386.4 Ų86.439%0.38843%0.428SS..Hα-helixtrans-65.8-41.2176.8-71.1174.7-6.500111.8V42 Q43 N49 N50V42-Q46 HydrophobicContact CG1-CG 4.49Å; V42-Q46 WeakPolarHBondContact O-CG 3.24Å; V42-Q46 PolarHBondContact O-N 3.02Å; Q43-Q46 PolarHBondContact O-N 3Å; Q46-N49 PolarHBondContact O-N 2.91Å; Q46-N50 WeakPolarHBondContact O-CB 3.09Å; Q46-N50 PolarHBondContact O-N 3.01Å; Q46-N50 PolarHBondContact O-ND2 3.43Å
47Q77Confident71.9Confident121 Ų12192.2 Ų92.257%0.56547%0.469SS*.Hα-helixtrans-60.9-47.9174.9-71.9169.80.700111.6Q43 N49 N50 E51Q43-Q47 WeakPolarHBondContact O-CG 3.48Å; Q43-Q47 PolarHBondContact O-N 3.41Å; Q47-N49 PolarHBondContact O-N 3.1Å; Q47-N50 PolarHBondContact O-N 3.45Å; Q47-E51 PolarHBondContact O-N 3.05Å; Q47-E51 VanDerWaalsContact O-N 3.1Å
48Q75.6Confident69.5Low102 Ų10296.2 Ų96.248%0.47750%0.498SS..Hα-helixtrans-61.8-40.6177.2-72174.33.400113K44 Q45 N50 E51 L52K44-Q48 VanDerWaalsContact O-CG 3.32Å; K44-Q48 WeakPolarHBondContact O-CG 3.48Å; K44-Q48 PolarHBondContact O-N 3.12Å; K44-Q48 VanDerWaalsContact O-N 3.14Å; Q45-Q48 PolarHBondContact O-N 2.75Å; Q48-N50 VanDerWaalsContact C-N 3.34Å; Q48-E51 PolarHBondContact O-N 3.42Å; Q48-L52 PolarHBondContact O-N 3.33Å
49N72.4Confident67.1Low90 Ų90100.4 Ų100.448%0.48153%0.53SS..Hα-helixtrans-67.3-34.6177-73.8-18000112.3Q45 Q46 Q47 L52 N53Q45-N49 WeakPolarHBondContact O-CB 3.01Å; Q45-N49 VanDerWaalsContact O-CG 3.26Å; Q45-N49 PolarHBondContact O-N 2.91Å; Q45-N49 PolarHBondContact O-ND2 2.67Å; Q46-N49 PolarHBondContact O-N 2.91Å; Q47-N49 PolarHBondContact O-N 3.1Å; N49-L52 PolarHBondContact O-N 2.97Å; N49-N53 WeakPolarHBondContact O-CB 3.39Å; N49-N53 PolarHBondContact O-N 3.16Å; N49-N53 VanDerWaalsContact O-N 3.11Å; N49-N53 PolarHBondContact O-ND2 3.35Å
50N68.9Low65Low100 Ų100105.8 Ų105.854%0.53556%0.564SS.*Hα-helixtrans-68.7-36.3176.4-72.3-17.4000111.9Q46 Q47 Q48 N54Q46-N50 WeakPolarHBondContact O-CB 3.09Å; Q46-N50 PolarHBondContact O-N 3.01Å; Q46-N50 PolarHBondContact O-ND2 3.43Å; Q47-N50 PolarHBondContact O-N 3.45Å; Q48-N50 VanDerWaalsContact C-N 3.34Å; N50-N54 PolarHBondContact O-N 3.3Å
51E69.4Low62.8Low145 Ų145109.6 Ų109.668%0.67859%0.588SS**Hα-helixtrans-64.9-39.5174.6-70.6173.8-177.200112.2Q47 Q48Q47-E51 PolarHBondContact O-N 3.05Å; Q47-E51 VanDerWaalsContact O-N 3.1Å; Q48-E51 PolarHBondContact O-N 3.42Å
52L60.8Low60.6Low132 Ų132116 Ų11669%0.69161%0.608SS**Hα-helixtrans-72.3-34.3178.8-74.3161.4000113.4Q48 N49Q48-L52 PolarHBondContact O-N 3.33Å; N49-L52 PolarHBondContact O-N 2.97Å
53N57.5Low58.8Low108 Ų108121.7 Ų121.758%0.57864%0.638SS**Hα-helixtrans-84.4-10.4-176.9-75-23.8000114.1N49 H55 N56N49-N53 WeakPolarHBondContact O-CB 3.39Å; N49-N53 PolarHBondContact O-N 3.16Å; N49-N53 VanDerWaalsContact O-N 3.11Å; N49-N53 PolarHBondContact O-ND2 3.35Å; N53-H55 PolarHBondContact O-N 3.26Å; N53-N56 PolarHBondContact O-N 3.36Å; N53-N56 VanDerWaalsContact O-N 3.13Å
54N56.8Low57.3Low145 Ų145125.1 Ų125.178%0.77565%0.654SS**THydrogen-bonded Turntrans-71.10.7-178.4-128.16.3000114.3N50N50-N54 PolarHBondContact O-N 3.3Å
55H54.2Low55.7Low173 Ų173119.7 Ų119.780%0.80164%0.636SS**THydrogen-bonded Turntrans-100.3-3.4171.1-82-55.7000115.1N53N53-H55 PolarHBondContact O-N 3.26Å
56N51.7Low54.8Low139 Ų139121.9 Ų121.974%0.74364%0.644SS**  trans-119.993.4175.9-78.7-24.1000110.5N53 C58N53-N56 PolarHBondContact O-N 3.36Å; N53-N56 VanDerWaalsContact O-N 3.13Å; N56-C58 PolarHBondContact O-N 3.25Å
57S39.7Very low54.3Low127 Ų127119.1 Ų119.189%0.88863%0.631SS**  trans-65.389.8167.455.40000110.5
58C38.4Very low53.6Low105 Ų105116.1 Ų116.171%0.70962%0.618SS**  trans-161.1120.2152.7-162.70000110.2N56 T60N56-C58 PolarHBondContact O-N 3.25Å; C58-T60 PolarHBondContact O-N 3.14Å; C58-T60 VanDerWaalsContact O-N 3.14Å
59S35.3Very low53.1Low116 Ų116112.8 Ų112.881%0.81160%0.604SS**  trans-41.3109173.346.90000113.2
60T39.5Very low52.7Low122 Ų122109.2 Ų109.275%0.74858%0.584SS**  trans-120.5137.3153.626.90000108C58 R62C58-T60 PolarHBondContact O-N 3.14Å; C58-T60 VanDerWaalsContact O-N 3.14Å; T60-R62 PolarHBondContact O-N 2.76Å
61P41.4Very low52.7Low112 Ų112105.1 Ų105.173%0.72756%0.562SS**  trans-57.9128.9-178.623.5-31.2000108.7N63P61-N63 PolarHBondContact O-N 3.48Å
62R38.5Very low52.5Low223 Ų223101.8 Ų101.884%0.84254%0.544SS*.  trans-54.1106.8174-73.9178175.1-164.6-2107.4T60 E64T60-R62 PolarHBondContact O-N 2.76Å; R62-E64 PolarHBondContact O-N 3.22Å
63N42.1Very low52.8Low121 Ų121103.4 Ų103.465%0.64755%0.545SS*.  trans-67.892.8167.2-78.7-41.2000106.5N8 P61 G65N8-N63 HydrophobicContact CB-CB 4.46Å; N8-N63 WeakPolarHBondContact ND2-CB 3.46Å; N8-N63 PolarHBondContact ND2-ND2 3.43Å; N8-N63 VanDerWaalsContact ND2-ND2 3.12Å; P61-N63 PolarHBondContact O-N 3.48Å; N63-G65 PolarHBondContact O-N 2.68Å
64E49.3Very low53Low158 Ų158101.9 Ų101.974%0.73854%0.537SS*.  trans-55.2110.4170.8-66.9178.8177.800107.3R62 K66R62-E64 PolarHBondContact O-N 3.22Å; E64-K66 PolarHBondContact O-N 2.86Å
65G50.8Low53.2Low18 Ų1896.3 Ų96.319%0.18651%0.507CS..  trans-63.6103.8177.400000108.3N8 N63 F67N8-G65 VanDerWaalsContact O-CA 3.23Å; N8-G65 WeakPolarHBondContact O-CA 3.41Å; N63-G65 PolarHBondContact O-N 2.68Å; G65-F67 PolarHBondContact O-N 3.17Å
66K57.3Low53.2Low120 Ų12091.6 Ų91.652%0.52249%0.493SS..  trans-69.9126-178.9-64.3-175.8178.5-179.90109N9 I10 E64 L68N9-K66 WeakPolarHBondContact CA-O 3.47Å; I10-K66 PolarHBondContact N-O 3.21Å; E64-K66 PolarHBondContact O-N 2.86Å; K66-L68 PolarHBondContact O-N 3.16Å
67F63.6Low53.4Low24 Ų2489.9 Ų89.911%0.10548%0.483CS..EExtended strand (participates in β ladder)trans-82.599.5176.5-73.4-74.3000110I10 I12 V42 G65 I69 P147 D194I10-F67 HydrophobicContact CB-CD1 3.89Å; I10-F67 HydrophobicContact CB-CE1 4.06Å; I10-F67 HydrophobicContact CD1-CE1 4.21Å; I10-F67 HydrophobicContact CG2-CD1 3.8Å; I10-F67 HydrophobicContact CG2-CE1 3.79Å; I10-F67 CarbonylContact O-C 3.19Å; I10-F67 VanDerWaalsContact O-CA 3.24Å; I10-F67 WeakPolarHBondContact O-CA 3.49Å; I12-F67 HydrophobicContact CD1-CB 4.13Å; I12-F67 HydrophobicContact CD1-CD1 3.25Å; I12-F67 HydrophobicContact CD1-CE1 3.82Å; I12-F67 HydrophobicContact CD1-CG 3.94Å; I12-F67 HydrophobicContact CG1-CD1 3.77Å; I12-F67 HydrophobicContact CG1-CE1 4.43Å; V42-F67 HydrophobicContact CB-CE1 4.49Å; V42-F67 HydrophobicContact CG1-CE1 3.98Å; V42-F67 HydrophobicContact CG1-CZ 3.81Å; G65-F67 PolarHBondContact O-N 3.17Å; F67-I69 PolarHBondContact O-N 3.21Å; F67-P147 HydrophobicContact CB-CB 3.98Å; F67-P147 HydrophobicContact CD1-CB 4.47Å; F67-P147 HydrophobicContact CD1-CG 4.46Å; F67-P147 HydrophobicContact CD2-CB 4Å; F67-P147 HydrophobicContact CD2-CG 4.35Å; F67-P147 HydrophobicContact CE2-CG 4.48Å; F67-P147 HydrophobicContact CG-CB 3.91Å; F67-P147 HydrophobicContact CG-CG 4.32Å; F67-D194 HydrophobicContact CB-CB 4.47Å; F67-D194 WeakPolarHBondContact O-CA 3.41Å; F67-D194 WeakPolarHBondContact O-CB 3.36Å
68L62.6Low53.8Low58 Ų5886.1 Ų86.130%0.30445%0.453SS..EExtended strand (participates in β ladder)trans-86.3114.6179.1-170.560.6000110.1I10 I11 I12 K66 I70 L78I10-L68 PolarHBondContact O-N 3.34Å; I11-L68 CarbonylContact C-O 3.51Å; I11-L68 WeakPolarHBondContact CA-O 3.47Å; I11-L68 HydrophobicContact CG1-CB 4.33Å; I12-L68 PolarHBondContact N-O 3.1Å; I12-L68 VanDerWaalsContact O-O 3.04Å; K66-L68 PolarHBondContact O-N 3.16Å; L68-I70 HydrophobicContact CB-CG1 4.5Å; L68-I70 HydrophobicContact CD2-CD1 3.64Å; L68-I70 HydrophobicContact CD2-CG1 4.1Å; L68-I70 HydrophobicContact CG-CD1 3.85Å; L68-I70 HydrophobicContact CG-CG1 3.74Å; L68-L78 HydrophobicContact CD2-CD1 3.84Å; L68-L78 HydrophobicContact CD2-CD2 4.01Å
69I65.2Low54.1Low32 Ų3284.6 Ų84.616%0.16443%0.434CS..EExtended strand (participates in β ladder)trans-90.1109.2-178.4-64.1174.7000110.1I12 I14 F67 I196I12-I69 HydrophobicContact CB-CG1 4.32Å; I12-I69 HydrophobicContact CG2-CG1 4.45Å; I12-I69 WeakPolarHBondContact O-CA 3.36Å; I14-I69 HydrophobicContact CB-CG2 4.45Å; I14-I69 HydrophobicContact CD1-CG2 3.56Å; I14-I69 HydrophobicContact CG1-CG2 3.99Å; F67-I69 PolarHBondContact O-N 3.21Å; I69-I196 HydrophobicContact CD1-CB 4.27Å; I69-I196 HydrophobicContact CD1-CD1 4.48Å; I69-I196 HydrophobicContact CD1-CG1 4.11Å; I69-I196 HydrophobicContact CD1-CG2 3.51Å; I69-I196 HydrophobicContact CG2-CG2 4.08Å
70I64.1Low54.3Low15 Ų1585 Ų858%0.07743%0.427CS..EExtended strand (participates in β ladder)trans-120.2132.2-173.3-49.7-176.2000111I11 I12 I13 I14 L68 N74 I75 L78I11-I70 HydrophobicContact CG2-CB 4.39Å; I11-I70 HydrophobicContact CG2-CD1 3.46Å; I11-I70 VanDerWaalsContact CG2-CD1 3.46Å; I11-I70 HydrophobicContact CG2-CG1 3.89Å; I12-I70 PolarHBondContact O-N 3.11Å; I13-I70 WeakPolarHBondContact CA-O 3.32Å; I14-I70 PolarHBondContact N-O 2.94Å; L68-I70 HydrophobicContact CB-CG1 4.5Å; L68-I70 HydrophobicContact CD2-CD1 3.64Å; L68-I70 HydrophobicContact CD2-CG1 4.1Å; L68-I70 HydrophobicContact CG-CD1 3.85Å; L68-I70 HydrophobicContact CG-CG1 3.74Å; I70-N74 HydrophobicContact CG2-CB 4.13Å; I70-I75 HydrophobicContact CG2-CG1 3.88Å; I70-L78 HydrophobicContact CD1-CB 4.28Å; I70-L78 HydrophobicContact CD1-CD1 4.04Å; I70-L78 HydrophobicContact CD1-CD2 3.39Å; I70-L78 HydrophobicContact CD1-CG 4.09Å
71N68.3Low54.5Low14 Ų1483.2 Ų83.28%0.07542%0.415CS..EExtended strand (participates in β ladder)trans-64.9134.7166.8-169.7-24.8000109.7I14 Y16 K73 N74 I75I14-N71 WeakPolarHBondContact O-CA 3.43Å; Y16-N71 HydrophobicContact CD1-CB 4.23Å; Y16-N71 HydrophobicContact CE1-CB 3.51Å; Y16-N71 VanDerWaalsContact CE1-CG 3.42Å; Y16-N71 WeakPolarHBondContact CE1-ND2 3.33Å; Y16-N71 PolarHBondContact OH-ND2 3.46Å; N71-K73 PolarHBondContact O-N 3.17Å; N71-K73 PolarHBondContact OD1-N 3.13Å; N71-N74 HydrophobicContact CB-CB 4.24Å; N71-N74 WeakPolarHBondContact O-CA 3.09Å; N71-N74 PolarHBondContact O-N 3.49Å; N71-I75 PolarHBondContact O-N 3.01Å
72R66Low54.6Low76 Ų7681.4 Ų81.429%0.28740%0.4SS..G310 helixtrans-46.5-37.5170.7-73.7-159.7-172.2155.90.1114.2M1 I13 D15 N74 I75M1-R72 HydrophobicContact CE-CG 3.65Å; M1-R72 HydrophobicContact SD-CG 4.29Å; M1-R72 PolarHBondContact SD-NE 3.04Å; M1-R72 PolarHBondContact SD-NH2 2.96Å; I13-R72 HydrophobicContact CG2-CB 4.42Å; I13-R72 HydrophobicContact CG2-CG 3.28Å; D15-R72 VanDerWaalsContact CG-CD 3.49Å; D15-R72 VanDerWaalsContact OD1-CB 3.25Å; D15-R72 WeakPolarHBondContact OD1-CB 3.49Å; D15-R72 WeakPolarHBondContact OD1-CD 3.45Å; D15-R72 WeakPolarHBondContact OD1-CG 3.18Å; D15-R72 IonicContact OD1-CZ 3.5Å; D15-R72 IonicContact OD1-NE 3.75Å; D15-R72 PolarHBondContact OD1-NE 3.35Å; D15-R72 IonicContact OD1-NH1 2.89Å; D15-R72 WeakPolarHBondContact OD2-CD 3.44Å; D15-R72 IonicContact OD2-CZ 3.68Å; D15-R72 IonicContact OD2-NE 3.76Å; D15-R72 PolarHBondContact OD2-NE 3.36Å; D15-R72 IonicContact OD2-NH1 3.74Å; D15-R72 PolarHBondContact OD2-NH1 2.89Å; D15-R72 IonicContact OD2-NH2 2.86Å; R72-N74 PolarHBondContact O-N 3.35Å; R72-I75 HydrophobicContact CB-CD1 4.32Å; R72-I75 HydrophobicContact CG-CD1 4.14Å; R72-I75 PolarHBondContact O-N 2.99Å
73K66.2Low54.7Low165 Ų16577.4 Ų77.472%0.71740%0.395SS*.G310 helixtrans-64.8-25.7177.5-63.8-175.6178.3-177.10113.9N71N71-K73 PolarHBondContact O-N 3.17Å; N71-K73 PolarHBondContact OD1-N 3.13Å
74N61.8Low54.7Low77 Ų7779.7 Ų79.741%0.41240%0.401SS..G310 helixtrans-99.5-5-176.7-62.2-6.3000112.9I70 N71 R72 S76 I77 L78I70-N74 HydrophobicContact CG2-CB 4.13Å; N71-N74 HydrophobicContact CB-CB 4.24Å; N71-N74 WeakPolarHBondContact O-CA 3.09Å; N71-N74 PolarHBondContact O-N 3.49Å; R72-N74 PolarHBondContact O-N 3.35Å; N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 2.74Å; N74-I77 WeakPolarHBondContact O-CB 3.47Å; N74-I77 PolarHBondContact O-N 2.94Å; N74-I77 VanDerWaalsContact O-N 3.1Å; N74-L78 PolarHBondContact O-N 3.46Å
75I61.4Low54.4Low28 Ų2878.4 Ų78.414%0.14440%0.398CS..Hα-helixtrans-58.7-38.3179.7-71.8176.1000111.8M1 I13 I70 N71 R72 I77 L78 F79M1-I75 HydrophobicContact CE-CD1 4.06Å; I13-I75 HydrophobicContact CB-CD1 4.37Å; I13-I75 HydrophobicContact CD1-CD1 3.54Å; I13-I75 HydrophobicContact CG1-CD1 3.79Å; I13-I75 HydrophobicContact CG1-CG1 4.46Å; I13-I75 HydrophobicContact CG2-CD1 3.66Å; I70-I75 HydrophobicContact CG2-CG1 3.88Å; N71-I75 PolarHBondContact O-N 3.01Å; R72-I75 HydrophobicContact CB-CD1 4.32Å; R72-I75 HydrophobicContact CG-CD1 4.14Å; R72-I75 PolarHBondContact O-N 2.99Å; I75-I77 PolarHBondContact O-N 2.65Å; I75-L78 PolarHBondContact O-N 2.9Å; I75-F79 HydrophobicContact CG2-CD2 3.57Å; I75-F79 HydrophobicContact CG2-CE2 3.14Å; I75-F79 HydrophobicContact CG2-CZ 4.1Å; I75-F79 VanDerWaalsContact O-CD2 3.24Å; I75-F79 WeakPolarHBondContact O-CD2 3.31Å; I75-F79 PolarHBondContact O-N 2.98Å
76S53.9Low53.7Low73 Ų7384.6 Ų84.651%0.5143%0.427SS..Hα-helixtrans-60.9-30.7178.751.20000112.6N74 L80N74-S76 VanDerWaalsContact C-N 3.26Å; N74-S76 PolarHBondContact O-N 2.74Å; S76-L80 WeakPolarHBondContact O-CD1 3.27Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å
77I55.6Low52.8Low103 Ų10386.1 Ų86.153%0.52844%0.441SS..Hα-helixtrans-73.7-43.2179.8-61.9169000110.2N74 I75 F79 L80 V81N74-I77 WeakPolarHBondContact O-CB 3.47Å; N74-I77 PolarHBondContact O-N 2.94Å; N74-I77 VanDerWaalsContact O-N 3.1Å; I75-I77 PolarHBondContact O-N 2.65Å; I77-F79 VanDerWaalsContact C-N 3.34Å; I77-F79 PolarHBondContact O-N 3.4Å; I77-L80 PolarHBondContact O-N 2.96Å; I77-L80 VanDerWaalsContact O-N 3.14Å; I77-V81 PolarHBondContact O-N 3.15Å
78L49Very low51.5Low48 Ų4892.4 Ų92.425%0.25148%0.476SS..Hα-helixtrans-62.3-42.4-178.6-159.788.5000111.8I11 L68 I70 N74 I75 L80 V81 D82I11-L78 HydrophobicContact CD1-CD2 3.7Å; L68-L78 HydrophobicContact CD2-CD1 3.84Å; L68-L78 HydrophobicContact CD2-CD2 4.01Å; I70-L78 HydrophobicContact CD1-CB 4.28Å; I70-L78 HydrophobicContact CD1-CD1 4.04Å; I70-L78 HydrophobicContact CD1-CD2 3.39Å; I70-L78 HydrophobicContact CD1-CG 4.09Å; N74-L78 PolarHBondContact O-N 3.46Å; I75-L78 PolarHBondContact O-N 2.9Å; L78-L80 PolarHBondContact O-N 3.23Å; L78-V81 PolarHBondContact O-N 3.04Å; L78-D82 PolarHBondContact O-N 3.38Å
79F44.7Very low50.3Low74 Ų7498 Ų9833%0.32551%0.506SS..Hα-helixtrans-65.7-18.7178.7-70.7-52.4000114.2K4 I75 I77 N83K4-F79 HydrophobicContact CD-CE1 3.66Å; K4-F79 HydrophobicContact CD-CZ 4.3Å; I75-F79 HydrophobicContact CG2-CD2 3.57Å; I75-F79 HydrophobicContact CG2-CE2 3.14Å; I75-F79 HydrophobicContact CG2-CZ 4.1Å; I75-F79 VanDerWaalsContact O-CD2 3.24Å; I75-F79 WeakPolarHBondContact O-CD2 3.31Å; I75-F79 PolarHBondContact O-N 2.98Å; I77-F79 VanDerWaalsContact C-N 3.34Å; I77-F79 PolarHBondContact O-N 3.4Å; F79-N83 PolarHBondContact O-ND2 3.47Å
80L40.2Very low48.9Very low125 Ų125106.4 Ų106.465%0.65454%0.541SS*.Hα-helixtrans-83.9-28.9176.9-72.6168.5000112.5S76 I77 L78S76-L80 WeakPolarHBondContact O-CD1 3.27Å; S76-L80 WeakPolarHBondContact O-CG 3.4Å; I77-L80 PolarHBondContact O-N 2.96Å; I77-L80 VanDerWaalsContact O-N 3.14Å; L78-L80 PolarHBondContact O-N 3.23Å
81V42.7Very low47.4Very low83 Ų83110.4 Ų110.450%0.50357%0.57SS.*Hα-helixtrans-79.5-35.7-177.2-176.20000111.7I77 L78 N83 H84 I85I77-V81 PolarHBondContact O-N 3.15Å; L78-V81 PolarHBondContact O-N 3.04Å; V81-N83 PolarHBondContact O-N 3.5Å; V81-H84 PolarHBondContact O-N 3.49Å; V81-I85 HydrophobicContact CG1-CD1 4.4Å
82D44.2Very low45.9Very low75 Ų75116.3 Ų116.340%0.40161%0.607SS.*THydrogen-bonded Turntrans-65.3-22.5-178.8-73.9-23.6000113.9L78 H84L78-D82 PolarHBondContact O-N 3.38Å; D82-H84 VanDerWaalsContact C-N 3.34Å; D82-H84 PolarHBondContact O-N 2.99Å
83N41Very low44.3Very low138 Ų138120.2 Ų120.274%0.73863%0.634SS**THydrogen-bonded Turntrans-80.6-10.1-179.3-75.4-34.6000114F79 V81F79-N83 PolarHBondContact O-ND2 3.47Å; V81-N83 PolarHBondContact O-N 3.5Å
84H41.3Very low42.8Very low170 Ų170116 Ų11679%0.78764%0.638SS**SBendtrans-105.8-4.4-173.4-106.7-65.3000115.8V81 D82V81-H84 PolarHBondContact O-N 3.49Å; D82-H84 VanDerWaalsContact C-N 3.34Å; D82-H84 PolarHBondContact O-N 2.99Å
85I42.8Very low41.5Very low130 Ų130120.8 Ų120.867%0.66766%0.663SS**SBendtrans-97.7-7.3-172.2-64.4177.2000113.6V81 N87V81-I85 HydrophobicContact CG1-CD1 4.4Å; I85-N87 PolarHBondContact O-N 3.15Å
86N36.8Very low40.2Very low149 Ų149123.2 Ų123.280%0.79770%0.695SS**SBendtrans-92.521-169-102.50.7000117.6
87N37Very low39.3Very low151 Ų151125.1 Ų125.181%0.80771%0.708SS**SBendtrans-133.226.4-171-97.6-7.6000117.6I85I85-N87 PolarHBondContact O-N 3.15Å
88N36Very low38.5Very low157 Ų157126.4 Ų126.484%0.8472%0.721SS**  trans-142.473173.2-80.8-33.3000113.4
89N38.1Very low38.1Very low175 Ų175133.6 Ų133.694%0.93675%0.753SS**  trans-111.396158.3-81.7-12.8000108.6
90K36.2Very low37.8Very low208 Ų208133.4 Ų133.490%0.90477%0.772SS**  trans-110.4115167-151172.4-172.7178.50108.6
91S33.1Very low37.7Very low99 Ų99135.4 Ų135.469%0.69278%0.783SS**  trans-59.8133-179.6-166.90000112.7
92T35Very low37.8Very low139 Ų139137.5 Ų137.585%0.85380%0.796SS**  trans-142.5100.315240.20000109.1
93N33.8Very low37.7Very low158 Ų158141.8 Ų141.885%0.84582%0.819SS**  trans-65.5133162.3-80.4-23.1000110.1
94G34.3Very low38.8Very low77 Ų77140.6 Ų140.679%0.79482%0.819SS**  trans-146.896168.400000109.7
95N34.3Very low38.8Very low177 Ų177137.9 Ų137.995%0.94782%0.816SS**  trans-70.3135.5169.9-81.4-17.3000110.1
96G34.1Very low38.7Very low79 Ų79139.4 Ų139.481%0.81483%0.825SS**  trans-156.899.4168.700000110.2
97S35.2Very low38.9Very low113 Ų113138.4 Ų138.479%0.7982%0.824SS**  trans-88.9133.3176.154.50000111.6
98T38Very low39.6Very low130 Ų130140.3 Ų140.380%0.79883%0.828SS**  trans-173.7108.5152.627.50000108.4
99H42.2Very low40.5Very low198 Ų198143.4 Ų143.492%0.91783%0.828SS**  81.3124.892.1-95-69.8000116.6
100G37.6Very low41.7Very low71 Ų71138.7 Ų138.773%0.73281%0.809SS**  trans107.791.4160.900000113.8
101N38.3Very low43.4Very low166 Ų166132.5 Ų132.589%0.88879%0.789SS**  48.511175.7-119.1-4000114.2
102V44.8Very low45.2Very low127 Ų127134.1 Ų134.177%0.7779%0.789SS**  trans159.8108.9131.8172.10000109
103D42.4Very low46.9Very low166 Ų166134.5 Ų134.589%0.88878%0.781SS**  trans-81.2142.2158.7-68.8-43.3000109.7
104P64.1Low48.4Very low112 Ų112129.4 Ų129.473%0.72776%0.758SS**  trans-124.3155.9149.130.4-15.3000112.5
105P41.5Very low49.9Very low113 Ų113131.5 Ų131.573%0.73475%0.75SS**  trans-88.4153.4-162.135.5-34.6000114.2
106L40.1Very low51.5Low162 Ų162129 Ų12985%0.84874%0.741SS**  trans14.4113.2145.8-61.6164.6000117
107T40.3Very low53.2Low128 Ų128130.2 Ų130.279%0.78573%0.733SS**  trans-144.8105.1153.9-63.10000108.7R109T107-R109 PolarHBondContact O-N 3.3Å
108E52.3Low54.1Low191 Ų191128 Ų12889%0.89373%0.728SS**  trans-73.897.5169.5-66.9-178172.300109.2
109R55.7Low55.1Low222 Ų222126.9 Ų126.984%0.83872%0.721SS**  trans-158.7109.3158.9-112.8178.1-180148.82109.1T107 T111T107-R109 PolarHBondContact O-N 3.3Å; R109-T111 PolarHBondContact O-N 2.95Å
110S61.9Low55.5Low77 Ų77120.2 Ų120.254%0.53871%0.706SS.*  trans-60.3121.2174.1-60.10000109.6E121S110-E121 PolarHBondContact OG-OE1 3.42Å
111T71.6Confident56.5Low77 Ų77124.5 Ų124.547%0.47271%0.707SS.*  trans-86.3155-179.150.10000110.6R109 E113 S114R109-T111 PolarHBondContact O-N 2.95Å; T111-E113 PolarHBondContact O-N 3.37Å; T111-E113 VanDerWaalsContact O-N 3.16Å; T111-S114 VanDerWaalsContact O-CB 3.27Å; T111-S114 WeakPolarHBondContact O-CB 3.27Å; T111-S114 PolarHBondContact O-N 3.2Å; T111-S114 PolarHBondContact O-OG 3.32Å; T111-S114 VanDerWaalsContact O-OG 3.05Å; T111-S114 PolarHBondContact OG1-OG 3.28Å
112L70.8Confident57.4Low134 Ų134125.7 Ų125.770%0.70270%0.704SS**Hα-helixtrans-56.5-29.2178.8-172.971.8000112.7S114 L115 V116L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.41Å; L112-L115 PolarHBondContact O-N 3.2Å; L112-V116 PolarHBondContact O-N 2.84Å
113E72Confident57.3Low147 Ų147125.8 Ų125.869%0.68770%0.701SS**Hα-helixtrans-62.6-33174.1-78.2116.2167.500113.3T111 L115 V116 T117T111-E113 PolarHBondContact O-N 3.37Å; T111-E113 VanDerWaalsContact O-N 3.16Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 3.34Å; E113-V116 PolarHBondContact O-N 2.85Å; E113-T117 PolarHBondContact O-N 3.46Å
114S65.1Low57.2Low50 Ų50126 Ų12635%0.3570%0.7SS.*Hα-helixtrans-60.5-42.6176.4-40.80000111.2T111 L112 T117T111-S114 VanDerWaalsContact O-CB 3.27Å; T111-S114 WeakPolarHBondContact O-CB 3.27Å; T111-S114 PolarHBondContact O-N 3.2Å; T111-S114 PolarHBondContact O-OG 3.32Å; T111-S114 VanDerWaalsContact O-OG 3.05Å; T111-S114 PolarHBondContact OG1-OG 3.28Å; L112-S114 VanDerWaalsContact C-N 3.3Å; L112-S114 PolarHBondContact O-N 3.41Å; S114-T117 PolarHBondContact O-N 3.36Å; S114-T117 PolarHBondContact O-OG1 3.49Å
115L65.1Low56.2Low122 Ų122125.6 Ų125.664%0.63970%0.698SS**Hα-helixtrans-68.5-37.4178.7-75.7165.3000112.9L112 E113 T117 G118L112-L115 PolarHBondContact O-N 3.2Å; E113-L115 VanDerWaalsContact C-N 3.31Å; E113-L115 PolarHBondContact O-N 3.34Å; L115-T117 PolarHBondContact O-N 3.44Å; L115-G118 PolarHBondContact O-N 3.35Å
116V68.5Low56.1Low123 Ų123131.1 Ų131.175%0.74571%0.711SS**Hα-helixtrans-67.6-25.9-179.4172.20000112L112 E113 G118L112-V116 PolarHBondContact O-N 2.84Å; E113-V116 PolarHBondContact O-N 2.85Å; V116-G118 PolarHBondContact O-N 3.46Å
117T70.2Confident55.8Low105 Ų105126.3 Ų126.364%0.64470%0.701SS**THydrogen-bonded Turntrans-79.41.7176.262.80000114.7E113 S114 L115 V119E113-T117 PolarHBondContact O-N 3.46Å; S114-T117 PolarHBondContact O-N 3.36Å; S114-T117 PolarHBondContact O-OG1 3.49Å; L115-T117 PolarHBondContact O-N 3.44Å; T117-V119 VanDerWaalsContact C-N 3.28Å; T117-V119 PolarHBondContact O-N 3.35Å
118G53.7Low55.7Low68 Ų68129.4 Ų129.470%0.70171%0.707SS**THydrogen-bonded Turntrans75.514177.400000114.4L115 V116 G120L115-G118 PolarHBondContact O-N 3.35Å; V116-G118 PolarHBondContact O-N 3.46Å; G118-G120 PolarHBondContact O-N 3.2Å
119V59.3Low54.9Low105 Ų105126.3 Ų126.364%0.63671%0.706SS**  trans-91.992.3173-169.60000107.7T117T117-V119 VanDerWaalsContact C-N 3.28Å; T117-V119 PolarHBondContact O-N 3.35Å
120G50.5Low53.8Low59 Ų59126 Ų12661%0.60871%0.705SS**  trans-72.4132.9172.500000110.9G118 F122G118-G120 PolarHBondContact O-N 3.2Å; G120-F122 PolarHBondContact O-N 3.26Å
121E59.3Low52.7Low160 Ų160127.1 Ų127.175%0.74871%0.713SS**  trans-64.6117.3162.5-80.7176.6154.400108.5S110S110-E121 PolarHBondContact OG-OE1 3.42Å
122F56Low51.1Low191 Ų191131.7 Ų131.784%0.83873%0.729SS**  trans-105.4115.1165-169.9-101.4000107.3G120 I124G120-F122 PolarHBondContact O-N 3.26Å; F122-I124 PolarHBondContact O-N 3.38Å
123D42.6Very low49.7Very low130 Ų130131.2 Ų131.270%0.69573%0.726SS**  trans-22.3111.1-172.8-64.8-48.9000117.9C125D123-C125 VanDerWaalsContact C-N 3.32Å; D123-C125 PolarHBondContact O-N 3.46Å
124I41.2Very low47.9Very low171 Ų171129.9 Ų129.988%0.87773%0.73SS**  trans-89.875.1151.1-56175.7000107F122F122-I124 PolarHBondContact O-N 3.38Å
125C41.7Very low46.1Very low102 Ų102135 Ų13569%0.68975%0.753SS**  trans-140.359.8173.3-77.60000110.4D123D123-C125 VanDerWaalsContact C-N 3.32Å; D123-C125 PolarHBondContact O-N 3.46Å
126F40.3Very low44.5Very low229 Ų229135.5 Ų135.5100%1.00476%0.761SS**  trans-122.259.3160-112.9-87.7000108.9
127G33.3Very low42.9Very low61 Ų61136 Ų13663%0.62977%0.765SS**  trans-151.8127.5172.800000108.7
128Q39.2Very low41.1Very low194 Ų194135.1 Ų135.191%0.90776%0.763SS**SBendtrans84.170.4170-50.6176.46.200117.9
129S34.3Very low39.9Very low126 Ų126141.7 Ų141.788%0.88177%0.772SS**  -17994.3129.8-95.90000111.8
130R33.6Very low38.7Very low214 Ų214144.3 Ų144.381%0.80878%0.778SS**  trans-166.6101.1134.1-143.6164.4152.5173.8-8.3110
131S39.4Very low37.9Very low101 Ų101147.1 Ų147.171%0.70678%0.783SS**  trans-68.2137164.7-161.10000108.8
132Q36.5Very low36.6Very low173 Ų173144.1 Ų144.181%0.80878%0.78SS**  trans72.580.4161.6-57.9171.640.500118.7
133I42.7Very low35.8Very low124 Ų124139.5 Ų139.564%0.63677%0.771SS**  trans-146.2133.5142.4-55.4-177.3000107.4
134P33.2Very low36.2Very low119 Ų119137 Ų13777%0.77376%0.761SS**  trans-71.7148.6-172.5-10.126.3000113.7
135D27.8Very low37.6Very low157 Ų157134.7 Ų134.784%0.8475%0.75SS**  trans-58.5124.7-176.5-55.9-56.7000114.8
136T31.3Very low39.5Very low133 Ų133131.6 Ų131.682%0.81673%0.73SS**  trans-170.880.914749.20000110.3
137T34Very low41.8Very low134 Ų134120.8 Ų120.882%0.82268%0.682SS**SBendtrans-159.9109.6160.234.50000111.7
138S32.8Very low44.6Very low87 Ų87118.6 Ų118.661%0.60866%0.655SS**  trans51.397145.563.70000118.3Q140S138-Q140 PolarHBondContact O-N 3.22Å
139K29.7Very low47.2Very low205 Ų205109.9 Ų109.989%0.89162%0.615SS**  trans-65.483.6153.8-159.8177.1-172.9-174.70108.1T141K139-T141 PolarHBondContact O-N 3.17Å
140Q32.6Very low50.2Low161 Ų161104 Ų10475%0.75257%0.573SS**  trans-65.1112.6175.9-78.2179.619.300109.9S138S138-Q140 PolarHBondContact O-N 3.22Å
141T33.8Very low53.1Low117 Ų11793.8 Ų93.872%0.71854%0.535SS*.  trans51.582.4154.562.90000117.1K139K139-T141 PolarHBondContact O-N 3.17Å
142S32Very low55.9Low98 Ų9889 Ų8969%0.68550%0.501SS*.  trans-72.5135.9160.942.90000112.2
143S39.6Very low58.7Low93 Ų9380.8 Ų80.865%0.6546%0.463SS*.  trans57.792.5163.456.30000118.3D145S143-D145 PolarHBondContact O-N 3.15Å
144V51.9Low61.3Low78 Ų7875.2 Ų75.247%0.47343%0.434SS..  trans-7373.8168.6-169.30000110.2Y189V144-Y189 HydrophobicContact CG1-CD2 4.29Å; V144-Y189 HydrophobicContact CG1-CE2 3.42Å; V144-Y189 VanDerWaalsContact CG1-CE2 3.42Å
145D68.9Low64.2Low122 Ų12273.8 Ų73.865%0.65242%0.42SS*.  trans-110.47.6177.6-75.7-14.2000112.9S143S143-D145 PolarHBondContact O-N 3.15Å
146S82.8Confident67.2Low38 Ų3874 Ų7427%0.26641%0.409SS..  trans-81.9128173.7179.20000110.8Y148 Y189 H195S146-Y148 PolarHBondContact O-N 3.05Å; S146-Y148 VanDerWaalsContact O-N 3.15Å; S146-Y148 PolarHBondContact OG-N 2.81Å; S146-Y148 PolarHBondContact OG-O 2.89Å; S146-Y189 VanDerWaalsContact O-CE1 3.25Å; S146-Y189 WeakPolarHBondContact O-CE1 3.28Å; S146-Y189 VanDerWaalsContact O-CZ 3.3Å; S146-Y189 PolarHBondContact O-OH 3.21Å; S146-H195 PolarHBondContact O-CD2 3.34Å
147P87.9Confident70.1Confident1 Ų174 Ų741%0.00640%0.404CS..SBendtrans-74.3-1.9179.732.2-36.6000113.3I12 I39 F67 H195 I196I12-P147 HydrophobicContact CD1-CB 3.98Å; I12-P147 HydrophobicContact CD1-CG 3.72Å; I39-P147 HydrophobicContact CD1-CG 3.42Å; I39-P147 VanDerWaalsContact CD1-CG 3.42Å; I39-P147 HydrophobicContact CG1-CG 3.64Å; F67-P147 HydrophobicContact CB-CB 3.98Å; F67-P147 HydrophobicContact CD1-CB 4.47Å; F67-P147 HydrophobicContact CD1-CG 4.46Å; F67-P147 HydrophobicContact CD2-CB 4Å; F67-P147 HydrophobicContact CD2-CG 4.35Å; F67-P147 HydrophobicContact CE2-CG 4.48Å; F67-P147 HydrophobicContact CG-CB 3.91Å; F67-P147 HydrophobicContact CG-CG 4.32Å; P147-H195 CarbonylContact O-C 3.51Å; P147-H195 VanDerWaalsContact O-CA 3.29Å; P147-H195 WeakPolarHBondContact O-CA 3.46Å; P147-I196 PolarHBondContact O-N 3.31Å
148Y92.2Very high72.9Confident15 Ų1571.2 Ų71.26%0.05938%0.384CS..EExtended strand (participates in β ladder)trans-136.9151.217375.4-87.9000112.4F32 L35 I39 S146 L150 T166 I196F32-Y148 AromaticContact CE2-CD2 3.96Å; F32-Y148 HydrophobicContact CE2-CD2 3.96Å; F32-Y148 AromaticContact CE2-CE2 3.77Å; F32-Y148 HydrophobicContact CE2-CE2 3.77Å; F32-Y148 HydrophobicContact CE2-CG 4.47Å; F32-Y148 AromaticContact CZ-CE2 3.92Å; F32-Y148 HydrophobicContact CZ-CE2 3.92Å; L35-Y148 HydrophobicContact CD2-CD1 3.94Å; L35-Y148 HydrophobicContact CD2-CG 4.16Å; L35-Y148 HydrophobicContact CG-CD1 4.3Å; I39-Y148 HydrophobicContact CD1-CD1 3.4Å; I39-Y148 HydrophobicContact CD1-CE1 3.42Å; I39-Y148 VanDerWaalsContact CD1-CE1 3.42Å; S146-Y148 PolarHBondContact O-N 3.05Å; S146-Y148 VanDerWaalsContact O-N 3.15Å; S146-Y148 PolarHBondContact OG-N 2.81Å; S146-Y148 PolarHBondContact OG-O 2.89Å; Y148-L150 HydrophobicContact CD2-CB 4.13Å; Y148-L150 HydrophobicContact CE2-CB 4Å; Y148-T166 PolarHBondContact OH-OG1 2.86Å; Y148-I196 CarbonylContact C-O 3.56Å; Y148-I196 VanDerWaalsContact CA-O 3.3Å; Y148-I196 WeakPolarHBondContact CA-O 3.38Å
149L94.4Very high75.7Confident12 Ų1268.1 Ų68.16%0.06336%0.359CS..EExtended strand (participates in β ladder)trans-115.4126.6167.4177.663000108L151 L168 E185 M186 Y189 I196 I197 I198L149-L151 HydrophobicContact CD1-CD2 4.28Å; L149-L151 HydrophobicContact CD2-CD2 4.07Å; L149-L151 HydrophobicContact CD2-CG 4.5Å; L149-L151 HydrophobicContact CG-CD2 3.92Å; L149-L151 HydrophobicContact CG-CG 4.29Å; L149-L168 HydrophobicContact CD1-CD1 3.68Å; L149-L168 HydrophobicContact CD1-CG 4.32Å; L149-E185 HydrophobicContact CD1-CB 4.07Å; L149-E185 HydrophobicContact CD2-CB 4.07Å; L149-M186 HydrophobicContact CD2-CG 4.16Å; L149-Y189 HydrophobicContact CB-CD1 3.54Å; L149-Y189 HydrophobicContact CB-CD2 4.09Å; L149-Y189 HydrophobicContact CB-CE1 3.75Å; L149-Y189 HydrophobicContact CB-CE2 4.2Å; L149-Y189 HydrophobicContact CB-CG 3.77Å; L149-Y189 HydrophobicContact CD2-CD2 4.12Å; L149-Y189 HydrophobicContact CD2-CG 4.14Å; L149-I196 PolarHBondContact N-O 3.4Å; L149-I197 HydrophobicContact CB-CG1 4.33Å; L149-I197 HydrophobicContact CD2-CG1 4.31Å; L149-I197 CarbonylContact O-C 3.57Å; L149-I197 WeakPolarHBondContact O-CA 3.49Å; L149-I198 PolarHBondContact O-N 2.87Å
150L96.1Very high78.6Confident1 Ų161 Ų611%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-108.1126.4179-176.467.7000109.8F32 Y148 I164 A167 L168 I198 Y200F32-L150 HydrophobicContact CE1-CD2 4.14Å; F32-L150 HydrophobicContact CZ-CD1 4.38Å; F32-L150 HydrophobicContact CZ-CD2 3.78Å; Y148-L150 HydrophobicContact CD2-CB 4.13Å; Y148-L150 HydrophobicContact CE2-CB 4Å; L150-I164 HydrophobicContact CD2-CB 3.79Å; L150-I164 HydrophobicContact CD2-CD1 4.45Å; L150-I164 HydrophobicContact CD2-CG2 3.52Å; L150-A167 HydrophobicContact CD2-CB 3.85Å; L150-A167 HydrophobicContact CG-CB 4.04Å; L150-A167 CarbonylContact O-C 3.38Å; L150-A167 WeakPolarHBondContact O-CA 3.27Å; L150-L168 PolarHBondContact O-N 3.05Å; L150-I198 CarbonylContact C-O 3.5Å; L150-I198 WeakPolarHBondContact CA-O 3.5Å; L150-I198 HydrophobicContact CD1-CB 3.72Å; L150-I198 HydrophobicContact CD1-CG2 3.58Å; L150-Y200 HydrophobicContact CD1-CD1 3.61Å; L150-Y200 HydrophobicContact CD1-CE1 3.98Å; L150-Y200 HydrophobicContact CD2-CD1 4.35Å; L150-Y200 HydrophobicContact CD2-CE1 3.93Å; L150-Y200 HydrophobicContact CG-CD1 3.89Å; L150-Y200 HydrophobicContact CG-CE1 3.72Å
151L96.5Very high81.3Confident1 Ų155.3 Ų55.31%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-119.6123.9-175.9-58.7-179.7000110.7L149 L168 Y170 M186 I197 I198 V199 Y200L149-L151 HydrophobicContact CD1-CD2 4.28Å; L149-L151 HydrophobicContact CD2-CD2 4.07Å; L149-L151 HydrophobicContact CD2-CG 4.5Å; L149-L151 HydrophobicContact CG-CD2 3.92Å; L149-L151 HydrophobicContact CG-CG 4.29Å; L151-L168 WeakPolarHBondContact CA-O 3.38Å; L151-L168 HydrophobicContact CD2-CB 4.22Å; L151-Y170 HydrophobicContact CD1-CD1 4.47Å; L151-M186 HydrophobicContact CD1-CE 4.19Å; L151-M186 HydrophobicContact CD1-CG 3.98Å; L151-M186 HydrophobicContact CD1-SD 3.99Å; L151-I197 HydrophobicContact CD1-CG2 3.58Å; L151-I197 HydrophobicContact CG-CG2 4.1Å; L151-I198 PolarHBondContact N-O 2.96Å; L151-V199 HydrophobicContact CB-CG2 4.38Å; L151-V199 HydrophobicContact CD1-CG2 4.37Å; L151-V199 WeakPolarHBondContact O-CA 3.3Å; L151-Y200 VanDerWaalsContact O-CD1 3.31Å; L151-Y200 WeakPolarHBondContact O-CD1 2.94Å; L151-Y200 PolarHBondContact O-N 3.19Å
152D96.5Very high84Confident0 Ų049.7 Ų49.70%028%0.277CS..EExtended strand (participates in β ladder)trans-93.2117.5171.5-164.6-37.5000110R154 Y159 L168 Y170 Y200D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 VanDerWaalsContact OD1-CB 3.3Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 VanDerWaalsContact OD1-CG 3.32Å; D152-R154 WeakPolarHBondContact OD1-CG 3.29Å; D152-R154 IonicContact OD1-CZ 3.78Å; D152-R154 PolarHBondContact OD1-N 3.39Å; D152-R154 IonicContact OD1-NE 2.6Å; D152-R154 PolarHBondContact OD1-NE 3.48Å; D152-R154 IonicContact OD1-NH2 2.87Å; D152-R154 IonicContact OD2-CZ 4Å; D152-R154 IonicContact OD2-NE 3.87Å; D152-R154 PolarHBondContact OD2-NE 3.03Å; D152-R154 IonicContact OD2-NH2 3.52Å; D152-R154 PolarHBondContact OD2-NH2 3.24Å; D152-Y159 HydrophobicContact CB-CD2 3.6Å; D152-Y159 HydrophobicContact CB-CE2 4.04Å; D152-L168 PolarHBondContact N-O 3.36Å; D152-Y170 CarbonylContact O-C 3.51Å; D152-Y170 WeakPolarHBondContact O-CA 3.49Å; D152-Y170 PolarHBondContact O-N 3.07Å; D152-Y200 HydrophobicContact CB-CE1 3.81Å; D152-Y200 HydrophobicContact CB-CE2 4.32Å; D152-Y200 WeakPolarHBondContact CB-OH 3.45Å; D152-Y200 VanDerWaalsContact OD2-CE2 3.31Å; D152-Y200 WeakPolarHBondContact OD2-CE2 3.25Å; D152-Y200 PolarHBondContact OD2-OH 2.65Å
153V97.1Very high86.9Confident0 Ų045.1 Ų45.10%025%0.245CC..  trans-90.97.3-175.1-610000115.4Y170 I172 V199 Y200 D201 L206 A207 A210V153-Y170 VanDerWaalsContact CA-O 3.26Å; V153-Y170 WeakPolarHBondContact CA-O 3.48Å; V153-Y170 HydrophobicContact CG1-CD1 4.32Å; V153-I172 PolarHBondContact O-N 3.32Å; V153-V199 HydrophobicContact CG1-CG1 3.45Å; V153-V199 VanDerWaalsContact CG1-CG1 3.45Å; V153-V199 HydrophobicContact CG2-CG1 4.31Å; V153-Y200 WeakPolarHBondContact CG2-O 2.89Å; V153-Y200 PolarHBondContact N-O 3.01Å; V153-D201 HydrophobicContact CG2-CB 3.9Å; V153-L206 HydrophobicContact CG2-CB 3.82Å; V153-A207 HydrophobicContact CG2-CB 4.32Å; V153-A210 HydrophobicContact CB-CB 4.28Å; V153-A210 HydrophobicContact CG1-CB 3.84Å; V153-A210 HydrophobicContact CG2-CB 4.3Å
154R95.8Very high89.5Confident7 Ų740.7 Ų40.73%0.02621%0.214CC..SBendtrans-76.9167.5174.9-61.4178.4-67.5151.25111.4D152 D158 C162 N169 P171 D201D152-R154 VanDerWaalsContact C-N 3.34Å; D152-R154 VanDerWaalsContact OD1-CB 3.3Å; D152-R154 WeakPolarHBondContact OD1-CB 3.34Å; D152-R154 VanDerWaalsContact OD1-CG 3.32Å; D152-R154 WeakPolarHBondContact OD1-CG 3.29Å; D152-R154 IonicContact OD1-CZ 3.78Å; D152-R154 PolarHBondContact OD1-N 3.39Å; D152-R154 IonicContact OD1-NE 2.6Å; D152-R154 PolarHBondContact OD1-NE 3.48Å; D152-R154 IonicContact OD1-NH2 2.87Å; D152-R154 IonicContact OD2-CZ 4Å; D152-R154 IonicContact OD2-NE 3.87Å; D152-R154 PolarHBondContact OD2-NE 3.03Å; D152-R154 IonicContact OD2-NH2 3.52Å; D152-R154 PolarHBondContact OD2-NH2 3.24Å; R154-D158 HydrophobicContact CB-CB 3.96Å; R154-D158 PolarHBondContact NH1-O 3.45Å; R154-D158 PolarHBondContact NH2-O 2.78Å; R154-C162 PolarHBondContact NH2-O 3.4Å; R154-N169 PolarHBondContact O-ND2 3.1Å; R154-P171 WeakPolarHBondContact O-CA 3.34Å; R154-D201 HydrophobicContact CG-CB 4.24Å
155D94.3Very high91.4Very high89 Ų8937 Ų3748%0.47619%0.192SC..  trans-65.6160.9172.4-66.9-34.9000110.6D157 D158 Y159D155-D157 VanDerWaalsContact C-N 3.32Å; D155-D157 PolarHBondContact O-N 3.49Å; D155-D158 PolarHBondContact O-N 2.82Å; D155-Y159 PolarHBondContact O-N 2.99Å
156R91.7Very high92.5Very high162 Ų16233.1 Ų33.161%0.61117%0.172SC*.Hα-helixtrans-60.5-40.6-172.8-172.7173.4-174.9123.42.8112.7D158 Y159 D160R156-D158 VanDerWaalsContact C-N 3.31Å; R156-D158 PolarHBondContact O-N 3.29Å; R156-Y159 WeakPolarHBondContact O-CB 3.47Å; R156-Y159 PolarHBondContact O-N 2.74Å; R156-Y159 VanDerWaalsContact O-N 3.15Å; R156-D160 IonicContact NE-OD2 3.17Å; R156-D160 WeakPolarHBondContact O-CB 3.39Å; R156-D160 VanDerWaalsContact O-CG 3.28Å; R156-D160 PolarHBondContact O-N 3.08Å
157D91.8Very high93Very high133 Ų13331.4 Ų31.471%0.71116%0.16SC*.Hα-helixtrans-61.5-39.5-179.2-58.8-23.4000112.1D155 A161D155-D157 VanDerWaalsContact C-N 3.32Å; D155-D157 PolarHBondContact O-N 3.49Å; D157-A161 WeakPolarHBondContact O-CB 3.41Å; D157-A161 PolarHBondContact O-N 3.19Å
158D92.1Very high93.3Very high76 Ų7634.5 Ų34.541%0.40618%0.176SC..Hα-helixtrans-71.1-32.6177.6-74.6-30000112.5R154 D155 R156 C162R154-D158 HydrophobicContact CB-CB 3.96Å; R154-D158 PolarHBondContact NH1-O 3.45Å; R154-D158 PolarHBondContact NH2-O 2.78Å; D155-D158 PolarHBondContact O-N 2.82Å; R156-D158 VanDerWaalsContact C-N 3.31Å; R156-D158 PolarHBondContact O-N 3.29Å; D158-C162 PolarHBondContact O-N 2.69Å; D158-C162 VanDerWaalsContact O-O 3.04Å
159Y93.1Very high93.4Very high22 Ų2235.8 Ų35.89%0.08618%0.184CC..Hα-helixtrans-69.7-48.3174.4174.6-87.3000111D152 D155 R156 A161 C162 H163 A167 N169D152-Y159 HydrophobicContact CB-CD2 3.6Å; D152-Y159 HydrophobicContact CB-CE2 4.04Å; D155-Y159 PolarHBondContact O-N 2.99Å; R156-Y159 WeakPolarHBondContact O-CB 3.47Å; R156-Y159 PolarHBondContact O-N 2.74Å; R156-Y159 VanDerWaalsContact O-N 3.15Å; Y159-A161 VanDerWaalsContact C-N 3.26Å; Y159-A161 PolarHBondContact O-N 3.29Å; Y159-C162 CarbonylContact O-C 3.51Å; Y159-C162 PolarHBondContact O-N 3.2Å; Y159-C162 VanDerWaalsContact O-O 3.14Å; Y159-H163 AromaticContact CD1-ND1 3.87Å; Y159-H163 HydrophobicContact CD2-CB 3.54Å; Y159-H163 AromaticContact CD2-CG 3.82Å; Y159-H163 AromaticContact CE1-CE1 3.75Å; Y159-H163 AromaticContact CE1-ND1 3.6Å; Y159-H163 HydrophobicContact CE2-CB 3.56Å; Y159-H163 AromaticContact CE2-CD2 3.85Å; Y159-H163 AromaticContact CE2-CG 3.47Å; Y159-H163 VanDerWaalsContact CE2-CG 3.47Å; Y159-H163 AromaticContact CE2-ND1 3.91Å; Y159-H163 HydrophobicContact CG-CB 4.2Å; Y159-H163 AromaticContact CZ-CD2 3.7Å; Y159-H163 AromaticContact CZ-CE1 3.78Å; Y159-H163 AromaticContact CZ-CG 3.55Å; Y159-H163 AromaticContact CZ-ND1 3.62Å; Y159-H163 AromaticContact CZ-NE2 3.9Å; Y159-H163 PolarHBondContact O-ND1 3.27Å; Y159-A167 HydrophobicContact CE2-CB 4.06Å; Y159-A167 PolarHBondContact OH-O 2.94Å; Y159-N169 VanDerWaalsContact CB-ND2 3.3Å; Y159-N169 WeakPolarHBondContact CB-ND2 3.24Å; Y159-N169 HydrophobicContact CD1-CB 3.84Å; Y159-N169 HydrophobicContact CD2-CB 3.89Å; Y159-N169 HydrophobicContact CE1-CB 4.12Å; Y159-N169 HydrophobicContact CE2-CB 4.11Å; Y159-N169 HydrophobicContact CG-CB 3.75Å
160D90Very high93.5Very high54 Ų5435.4 Ų35.429%0.28918%0.182SC..Hα-helixtrans-63.6-34.3179.9-67.5-13.3000110.7R156 L307 G308R156-D160 IonicContact NE-OD2 3.17Å; R156-D160 WeakPolarHBondContact O-CB 3.39Å; R156-D160 VanDerWaalsContact O-CG 3.28Å; R156-D160 PolarHBondContact O-N 3.08Å; D160-L307 CarbonylContact O-C 3.58Å; D160-L307 VanDerWaalsContact O-O 3.08Å; D160-G308 WeakPolarHBondContact O-CA 3.36Å; D160-G308 PolarHBondContact O-N 2.99Å; D160-G308 VanDerWaalsContact O-N 3.15Å
161A88.8Confident93.5Very high42 Ų4236.4 Ų36.435%0.34719%0.189SC..Hα-helixtrans-63.2-45.9174.300000112.8D157 Y159 G243 E244D157-A161 WeakPolarHBondContact O-CB 3.41Å; D157-A161 PolarHBondContact O-N 3.19Å; Y159-A161 VanDerWaalsContact C-N 3.26Å; Y159-A161 PolarHBondContact O-N 3.29Å; A161-G243 WeakPolarHBondContact O-CA 3.14Å; A161-E244 PolarHBondContact O-N 3.13Å
162C90.4Very high93.4Very high0 Ų038 Ų380%020%0.197CC..EExtended strand (participates in β ladder)trans-164.9147.3172.862.10000112R154 D158 Y159 L229 I241 I242 E244 P246R154-C162 PolarHBondContact NH2-O 3.4Å; D158-C162 PolarHBondContact O-N 2.69Å; D158-C162 VanDerWaalsContact O-O 3.04Å; Y159-C162 CarbonylContact O-C 3.51Å; Y159-C162 PolarHBondContact O-N 3.2Å; Y159-C162 VanDerWaalsContact O-O 3.14Å; C162-L229 WeakPolarHBondContact SG-CD2 3.42Å; C162-I241 HydrophobicContact CB-CG2 4.32Å; C162-I242 CarbonylContact C-O 3.56Å; C162-I242 WeakPolarHBondContact CA-O 3.49Å; C162-I242 VanDerWaalsContact CB-O 3.27Å; C162-I242 WeakPolarHBondContact CB-O 3.36Å; C162-E244 WeakPolarHBondContact CB-O 3.4Å; C162-P246 WeakPolarHBondContact SG-CD 3.12Å; C162-P246 WeakPolarHBondContact SG-CG 3.49Å
163H93.1Very high93.3Very high1 Ų140.2 Ų40.21%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-159.5169176.157.5-93.6000110.9Y159 Y200 I241 I242 G308 E317Y159-H163 AromaticContact CD1-ND1 3.87Å; Y159-H163 HydrophobicContact CD2-CB 3.54Å; Y159-H163 AromaticContact CD2-CG 3.82Å; Y159-H163 AromaticContact CE1-CE1 3.75Å; Y159-H163 AromaticContact CE1-ND1 3.6Å; Y159-H163 HydrophobicContact CE2-CB 3.56Å; Y159-H163 AromaticContact CE2-CD2 3.85Å; Y159-H163 AromaticContact CE2-CG 3.47Å; Y159-H163 VanDerWaalsContact CE2-CG 3.47Å; Y159-H163 AromaticContact CE2-ND1 3.91Å; Y159-H163 HydrophobicContact CG-CB 4.2Å; Y159-H163 AromaticContact CZ-CD2 3.7Å; Y159-H163 AromaticContact CZ-CE1 3.78Å; Y159-H163 AromaticContact CZ-CG 3.55Å; Y159-H163 AromaticContact CZ-ND1 3.62Å; Y159-H163 AromaticContact CZ-NE2 3.9Å; Y159-H163 PolarHBondContact O-ND1 3.27Å; H163-Y200 WeakPolarHBondContact CB-OH 3.46Å; H163-I241 CarbonylContact O-C 3.54Å; H163-I241 WeakPolarHBondContact O-CA 3.26Å; H163-I241 WeakPolarHBondContact O-CG2 3.16Å; H163-I242 PolarHBondContact N-O 3.11Å; H163-I242 PolarHBondContact O-N 2.84Å; H163-G308 PolarHBondContact CE1-O 3.01Å; H163-E317 IonicContact CD2-OE2 3.27Å; H163-E317 IonicContact CE1-OE1 3.44Å; H163-E317 IonicContact CE1-OE2 2.68Å; H163-E317 IonicContact NE2-OE1 3.25Å; H163-E317 IonicContact NE2-OE2 3.6Å; H163-E317 PolarHBondContact NE2-OE2 2.82Å
164I94.1Very high93.2Very high0 Ų042.8 Ų42.80%023%0.228CC..EExtended strand (participates in β ladder)trans-75.7135.8178.1-62.3176.3000109.1F32 L150 T166 A167 Y200 L225 L229 L240F32-I164 HydrophobicContact CE1-CG2 3.89Å; L150-I164 HydrophobicContact CD2-CB 3.79Å; L150-I164 HydrophobicContact CD2-CD1 4.45Å; L150-I164 HydrophobicContact CD2-CG2 3.52Å; I164-T166 PolarHBondContact O-N 3.03Å; I164-A167 WeakPolarHBondContact O-CB 3.3Å; I164-A167 PolarHBondContact O-N 2.97Å; I164-Y200 HydrophobicContact CB-CE1 4.37Å; I164-Y200 HydrophobicContact CD1-CD1 4.28Å; I164-Y200 HydrophobicContact CD1-CD2 3.97Å; I164-Y200 HydrophobicContact CD1-CE1 4.13Å; I164-Y200 HydrophobicContact CD1-CE2 3.86Å; I164-Y200 HydrophobicContact CD1-CG 4.19Å; I164-Y200 HydrophobicContact CG1-CE1 4.41Å; I164-Y200 HydrophobicContact CG1-CE2 3.97Å; I164-Y200 PolarHBondContact N-OH 2.77Å; I164-Y200 VanDerWaalsContact N-OH 3.09Å; I164-L225 HydrophobicContact CD1-CD2 3.59Å; I164-L229 HydrophobicContact CG1-CD1 3.81Å; I164-L240 WeakPolarHBondContact CA-O 3.22Å; I164-L240 HydrophobicContact CG2-CD1 3.92Å; I164-L240 HydrophobicContact CG2-CG 4.24Å; I164-L240 WeakPolarHBondContact CG2-O 3.33Å
165I92.2Very high93Very high2 Ų243.1 Ų43.11%0.0123%0.23CC..THydrogen-bonded Turntrans-51.2138176.7-57.4162.5000109.3A167 G239 L240 I242 E317 F319 D323I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.22Å; I165-G239 WeakPolarHBondContact CD1-O 3.09Å; I165-L240 PolarHBondContact N-O 3.44Å; I165-I242 HydrophobicContact CB-CD1 4.18Å; I165-I242 HydrophobicContact CB-CG1 4.49Å; I165-I242 HydrophobicContact CD1-CG1 4.42Å; I165-I242 HydrophobicContact CG1-CD1 3.65Å; I165-I242 HydrophobicContact CG1-CG1 3.48Å; I165-I242 VanDerWaalsContact CG1-CG1 3.48Å; I165-I242 HydrophobicContact CG2-CD1 4.29Å; I165-E317 WeakPolarHBondContact CG2-O 3.35Å; I165-F319 HydrophobicContact CB-CD1 3.97Å; I165-F319 HydrophobicContact CB-CD2 4.47Å; I165-F319 HydrophobicContact CB-CE1 3.6Å; I165-F319 HydrophobicContact CB-CE2 4.13Å; I165-F319 HydrophobicContact CB-CG 4.39Å; I165-F319 HydrophobicContact CB-CZ 3.67Å; I165-F319 HydrophobicContact CD1-CD1 3.6Å; I165-F319 HydrophobicContact CD1-CE1 3.63Å; I165-F319 HydrophobicContact CG1-CD1 4.37Å; I165-F319 HydrophobicContact CG1-CE1 4.13Å; I165-F319 HydrophobicContact CG2-CD1 3.89Å; I165-F319 HydrophobicContact CG2-CD2 3.96Å; I165-F319 HydrophobicContact CG2-CE1 4.01Å; I165-F319 HydrophobicContact CG2-CE2 4.06Å; I165-F319 HydrophobicContact CG2-CG 3.86Å; I165-F319 HydrophobicContact CG2-CZ 4.07Å; I165-D323 HydrophobicContact CD1-CB 4.24Å
166T91.7Very high92.9Very high40 Ų4043.8 Ų43.825%0.24524%0.242CC..THydrogen-bonded Turntrans71.32-173.2720000116.9Y148 I164 E317 F319Y148-T166 PolarHBondContact OH-OG1 2.86Å; I164-T166 PolarHBondContact O-N 3.03Å; T166-E317 WeakPolarHBondContact CG2-O 3.34Å; T166-E317 PolarHBondContact N-O 3.06Å; T166-F319 HydrophobicContact CG2-CD2 3.73Å; T166-F319 HydrophobicContact CG2-CE2 3.61Å
167A93.9Very high92.9Very high2 Ų240.5 Ų40.52%0.01723%0.23CC..EExtended strand (participates in β ladder)trans-69152.5174.100000111.4L150 Y159 I164 I165 Y200L150-A167 HydrophobicContact CD2-CB 3.85Å; L150-A167 HydrophobicContact CG-CB 4.04Å; L150-A167 CarbonylContact O-C 3.38Å; L150-A167 WeakPolarHBondContact O-CA 3.27Å; Y159-A167 HydrophobicContact CE2-CB 4.06Å; Y159-A167 PolarHBondContact OH-O 2.94Å; I164-A167 WeakPolarHBondContact O-CB 3.3Å; I164-A167 PolarHBondContact O-N 2.97Å; I165-A167 VanDerWaalsContact C-N 3.29Å; I165-A167 PolarHBondContact O-N 3.22Å; A167-Y200 HydrophobicContact CB-CE1 3.76Å; A167-Y200 WeakPolarHBondContact CB-OH 3.49Å
168L93.8Very high92.5Very high65 Ų6539.3 Ų39.334%0.3423%0.232SC..EExtended strand (participates in β ladder)trans-112.5139.4165.5-60.9-177.1000109.5L149 L150 L151 D152 Y170 E185L149-L168 HydrophobicContact CD1-CD1 3.68Å; L149-L168 HydrophobicContact CD1-CG 4.32Å; L150-L168 PolarHBondContact O-N 3.05Å; L151-L168 WeakPolarHBondContact CA-O 3.38Å; L151-L168 HydrophobicContact CD2-CB 4.22Å; D152-L168 PolarHBondContact N-O 3.36Å; L168-Y170 PolarHBondContact O-N 3.4Å; L168-E185 HydrophobicContact CD1-CB 4.06Å; L168-E185 HydrophobicContact CD1-CG 3.74Å
169N94.5Very high92.1Very high43 Ų4340.3 Ų40.323%0.2324%0.24CC..EExtended strand (participates in β ladder)trans-68.6119.1172.9-176.6-110.4000110.5R154 Y159 P171R154-N169 PolarHBondContact O-ND2 3.1Å; Y159-N169 VanDerWaalsContact CB-ND2 3.3Å; Y159-N169 WeakPolarHBondContact CB-ND2 3.24Å; Y159-N169 HydrophobicContact CD1-CB 3.84Å; Y159-N169 HydrophobicContact CD2-CB 3.89Å; Y159-N169 HydrophobicContact CE1-CB 4.12Å; Y159-N169 HydrophobicContact CE2-CB 4.11Å; Y159-N169 HydrophobicContact CG-CB 3.75Å; N169-P171 VanDerWaalsContact OD1-CD 3.25Å; N169-P171 WeakPolarHBondContact OD1-CD 3.22Å; N169-P171 VanDerWaalsContact OD1-CG 3.22Å; N169-P171 WeakPolarHBondContact OD1-CG 3.25Å
170Y95.7Very high91.8Very high3 Ų345.5 Ų45.51%0.01227%0.27CS..  trans-136.174.7176-176.4-102.3000110.3L151 D152 V153 L168 I172 M174 L175 F181 T183 M186L151-Y170 HydrophobicContact CD1-CD1 4.47Å; D152-Y170 CarbonylContact O-C 3.51Å; D152-Y170 WeakPolarHBondContact O-CA 3.49Å; D152-Y170 PolarHBondContact O-N 3.07Å; V153-Y170 VanDerWaalsContact CA-O 3.26Å; V153-Y170 WeakPolarHBondContact CA-O 3.48Å; V153-Y170 HydrophobicContact CG1-CD1 4.32Å; L168-Y170 PolarHBondContact O-N 3.4Å; Y170-I172 PolarHBondContact O-N 2.99Å; Y170-M174 HydrophobicContact CD2-CB 4.41Å; Y170-M174 HydrophobicContact CD2-CG 4.44Å; Y170-M174 HydrophobicContact CE1-CB 4.49Å; Y170-M174 HydrophobicContact CE2-CB 3.82Å; Y170-M174 HydrophobicContact CE2-CG 4.27Å; Y170-L175 HydrophobicContact CE1-CD1 4.43Å; Y170-L175 HydrophobicContact CE1-CD2 3.87Å; Y170-L175 HydrophobicContact CE1-CG 3.93Å; Y170-L175 WeakPolarHBondContact OH-CD2 3.44Å; Y170-F181 VanDerWaalsContact CE2-O 3.25Å; Y170-F181 WeakPolarHBondContact CE2-O 3.46Å; Y170-F181 PolarHBondContact OH-O 3.44Å; Y170-T183 HydrophobicContact CD2-CG2 3.85Å; Y170-T183 HydrophobicContact CE2-CG2 3.99Å; Y170-M186 HydrophobicContact CD1-SD 4.49Å; Y170-M186 HydrophobicContact CD2-SD 3.81Å; Y170-M186 HydrophobicContact CE1-CE 4.46Å; Y170-M186 HydrophobicContact CE1-SD 4.21Å; Y170-M186 HydrophobicContact CE2-SD 3.45Å; Y170-M186 WeakPolarHBondContact CE2-SD 3.23Å; Y170-M186 HydrophobicContact CG-SD 4.32Å
171P96Very high91.9Very high22 Ų2244.1 Ų44.114%0.14326%0.261CS..  trans-56.8139.6-172.3-2534.7000111.9R154 N169 A173 M174R154-P171 WeakPolarHBondContact O-CA 3.34Å; N169-P171 VanDerWaalsContact OD1-CD 3.25Å; N169-P171 WeakPolarHBondContact OD1-CD 3.22Å; N169-P171 VanDerWaalsContact OD1-CG 3.22Å; N169-P171 WeakPolarHBondContact OD1-CG 3.25Å; P171-A173 PolarHBondContact O-N 3.36Å; P171-M174 VanDerWaalsContact O-CB 3.29Å; P171-M174 WeakPolarHBondContact O-CB 3.45Å; P171-M174 VanDerWaalsContact O-CG 3.3Å; P171-M174 WeakPolarHBondContact O-CG 3.5Å; P171-M174 PolarHBondContact O-N 2.98Å
172I95.4Very high92Very high34 Ų3444.5 Ų44.517%0.17426%0.256CS..G310 helixtrans-53.4-27.6-179.4-166.8169.5000112.9V153 Y170 M174 L175 L206 R209 A210V153-I172 PolarHBondContact O-N 3.32Å; Y170-I172 PolarHBondContact O-N 2.99Å; I172-M174 PolarHBondContact O-N 3.22Å; I172-L175 HydrophobicContact CG1-CD1 4.37Å; I172-L175 WeakPolarHBondContact O-CB 3.4Å; I172-L175 PolarHBondContact O-N 3.41Å; I172-L206 HydrophobicContact CD1-CB 4.14Å; I172-L206 HydrophobicContact CD1-CD2 4.13Å; I172-L206 HydrophobicContact CG2-CD1 4.41Å; I172-L206 HydrophobicContact CG2-CD2 4.34Å; I172-R209 HydrophobicContact CD1-CB 4.27Å; I172-R209 HydrophobicContact CD1-CG 4.28Å; I172-A210 HydrophobicContact CD1-CB 4.41Å; I172-A210 HydrophobicContact CG1-CB 4.38Å
173A94.4Very high92Very high48 Ų4846.3 Ų46.340%0.39727%0.267SS..G310 helixtrans-55.1-29.4173.800000113.2P171 L175 S176P171-A173 PolarHBondContact O-N 3.36Å; A173-L175 PolarHBondContact O-N 3Å; A173-S176 WeakPolarHBondContact O-CB 3.3Å; A173-S176 PolarHBondContact O-N 3.27Å; A173-S176 VanDerWaalsContact O-N 3.11Å; A173-S176 PolarHBondContact O-OG 2.75Å
174M93.3Very high92Very high54 Ų5451.7 Ų51.727%0.26630%0.3SS..G310 helixtrans-60.9-31.3176.5-61.4-68.279.900112.7Y170 P171 I172 S176 R177 F181Y170-M174 HydrophobicContact CD2-CB 4.41Å; Y170-M174 HydrophobicContact CD2-CG 4.44Å; Y170-M174 HydrophobicContact CE1-CB 4.49Å; Y170-M174 HydrophobicContact CE2-CB 3.82Å; Y170-M174 HydrophobicContact CE2-CG 4.27Å; P171-M174 VanDerWaalsContact O-CB 3.29Å; P171-M174 WeakPolarHBondContact O-CB 3.45Å; P171-M174 VanDerWaalsContact O-CG 3.3Å; P171-M174 WeakPolarHBondContact O-CG 3.5Å; P171-M174 PolarHBondContact O-N 2.98Å; I172-M174 PolarHBondContact O-N 3.22Å; M174-S176 PolarHBondContact O-N 3.01Å; M174-R177 WeakPolarHBondContact O-CB 3.26Å; M174-R177 PolarHBondContact O-N 3.32Å; M174-R177 PolarHBondContact SD-NH1 3.36Å; M174-R177 PolarHBondContact SD-NH2 3.3Å; M174-F181 WeakPolarHBondContact O-CB 3.49Å
175L93.6Very high91.9Very high13 Ų1355 Ų557%0.06832%0.315CS..G310 helixtrans-73.6-13179-64.2174.1000113.8Y170 I172 A173 R177 F181 A210 T213 L214 R217Y170-L175 HydrophobicContact CE1-CD1 4.43Å; Y170-L175 HydrophobicContact CE1-CD2 3.87Å; Y170-L175 HydrophobicContact CE1-CG 3.93Å; Y170-L175 WeakPolarHBondContact OH-CD2 3.44Å; I172-L175 HydrophobicContact CG1-CD1 4.37Å; I172-L175 WeakPolarHBondContact O-CB 3.4Å; I172-L175 PolarHBondContact O-N 3.41Å; A173-L175 PolarHBondContact O-N 3Å; L175-R177 VanDerWaalsContact C-N 3.28Å; L175-F181 HydrophobicContact CD2-CD2 4.29Å; L175-A210 HydrophobicContact CD1-CB 3.68Å; L175-T213 HydrophobicContact CB-CG2 4.19Å; L175-T213 HydrophobicContact CD1-CG2 4.24Å; L175-T213 HydrophobicContact CD2-CG2 4.25Å; L175-T213 HydrophobicContact CG-CG2 4.49Å; L175-L214 HydrophobicContact CD1-CG 4.49Å; L175-L214 HydrophobicContact CD2-CD2 3.6Å; L175-L214 HydrophobicContact CD2-CG 3.88Å; L175-R217 PolarHBondContact O-NH1 2.67Å; L175-R217 PolarHBondContact O-NH2 3.36Å; L175-R217 VanDerWaalsContact O-NH2 3.1Å
176S91.5Very high92Very high104 Ų10454.9 Ų54.973%0.72732%0.315SS*.G310 helixtrans-74.6-19.6174.172.70000112.9A173 M174A173-S176 WeakPolarHBondContact O-CB 3.3Å; A173-S176 PolarHBondContact O-N 3.27Å; A173-S176 VanDerWaalsContact O-N 3.11Å; A173-S176 PolarHBondContact O-OG 2.75Å; M174-S176 PolarHBondContact O-N 3.01Å
177R90.5Very high92.1Very high93 Ų9357.3 Ų57.335%0.35133%0.326SS..  trans-70.5140-179.9-58-171-68.9-158.42.5110.9M174 L175 V179 N180 F181 R217M174-R177 WeakPolarHBondContact O-CB 3.26Å; M174-R177 PolarHBondContact O-N 3.32Å; M174-R177 PolarHBondContact SD-NH1 3.36Å; M174-R177 PolarHBondContact SD-NH2 3.3Å; L175-R177 VanDerWaalsContact C-N 3.28Å; R177-V179 WeakPolarHBondContact CB-O 3.47Å; R177-N180 PolarHBondContact NE-O 2.83Å; R177-N180 PolarHBondContact NH2-O 2.92Å; R177-F181 HydrophobicContact CB-CB 4.43Å; R177-R217 PolarHBondContact O-NH2 3.09Å; R177-R217 VanDerWaalsContact O-NH2 3.13Å
178S83.4Confident92Very high108 Ų10859.1 Ų59.176%0.75534%0.341SS*.SBendtrans-76.7-33.5171.652.70000112.1
179V84.7Confident91.9Very high97 Ų9756.8 Ų56.859%0.58833%0.328SS*.SBendtrans-122.7152.7-179.3-61.30000110.4R177 F181R177-V179 WeakPolarHBondContact CB-O 3.47Å; V179-F181 PolarHBondContact O-N 2.97Å; V179-F181 VanDerWaalsContact O-N 3.13Å
180N86.2Confident91.9Very high131 Ų13159.5 Ų59.570%0.70134%0.335SS*.SBendtrans54.132.7175.5-54.7-26000114.3R177R177-N180 PolarHBondContact NE-O 2.83Å; R177-N180 PolarHBondContact NH2-O 2.92Å
181F92Very high91.6Very high24 Ų2462.7 Ų62.711%0.10535%0.352CS..  trans-73.2-21173.372.6-89.7000111.7Y170 M174 L175 R177 V179 L214 R217 Y219Y170-F181 VanDerWaalsContact CE2-O 3.25Å; Y170-F181 WeakPolarHBondContact CE2-O 3.46Å; Y170-F181 PolarHBondContact OH-O 3.44Å; M174-F181 WeakPolarHBondContact O-CB 3.49Å; L175-F181 HydrophobicContact CD2-CD2 4.29Å; R177-F181 HydrophobicContact CB-CB 4.43Å; V179-F181 PolarHBondContact O-N 2.97Å; V179-F181 VanDerWaalsContact O-N 3.13Å; F181-L214 HydrophobicContact CE2-CD2 4.43Å; F181-R217 HydrophobicContact CE2-CB 4.33Å; F181-R217 HydrophobicContact CE2-CG 4.48Å; F181-R217 HydrophobicContact CZ-CB 4.13Å; F181-R217 HydrophobicContact CZ-CG 4.22Å; F181-Y219 HydrophobicContact CE2-CE2 4.29Å
182E91.1Very high91.3Very high51 Ų5167.5 Ų67.524%0.23837%0.367CS..SBendtrans-86.6136.3-179.9-55.2178.4101.500110.5L187 R190 Y219E182-L187 HydrophobicContact CB-CD1 4.47Å; E182-L187 HydrophobicContact CB-CD2 3.95Å; E182-L187 HydrophobicContact CB-CG 3.95Å; E182-L187 HydrophobicContact CG-CD2 4.31Å; E182-L187 WeakPolarHBondContact OE1-CD2 3.13Å; E182-R190 IonicContact OE1-CZ 3.75Å; E182-R190 IonicContact OE1-NH1 2.66Å; E182-Y219 HydrophobicContact CG-CE2 4.48Å; E182-Y219 WeakPolarHBondContact CG-OH 3.25Å; E182-Y219 WeakPolarHBondContact OE1-CE2 3.45Å; E182-Y219 VanDerWaalsContact OE1-CZ 3.29Å; E182-Y219 PolarHBondContact OE1-OH 3.28Å
183T91.5Very high90.5Very high38 Ų3870.8 Ų70.823%0.23339%0.391CS..  trans-88.7163168.876.10000110.4Y170 E185 M186 L187Y170-T183 HydrophobicContact CD2-CG2 3.85Å; Y170-T183 HydrophobicContact CE2-CG2 3.99Å; T183-E185 WeakPolarHBondContact CB-OE2 3.49Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 3.23Å; T183-M186 HydrophobicContact CG2-SD 4.42Å; T183-M186 PolarHBondContact O-N 3.35Å; T183-M186 VanDerWaalsContact O-N 3.13Å; T183-M186 WeakPolarHBondContact OG1-CG 3.46Å; T183-M186 PolarHBondContact OG1-N 3.05Å; T183-L187 PolarHBondContact O-N 3.34Å
184T92.3Very high89.9Confident114 Ų11470 Ų7070%0.69938%0.38SS*.Hα-helixtrans-56-39.1177.9-54.50000111.5L187 A188T184-L187 PolarHBondContact O-N 3.4Å; T184-A188 WeakPolarHBondContact O-CB 3.26Å; T184-A188 PolarHBondContact O-N 3.27Å
185E92.2Very high89.7Confident69 Ų6968.1 Ų68.132%0.32237%0.37SS..Hα-helixtrans-67.7-43.6178.3-5277.4-166.900110.8L149 L168 T183 L187 A188 Y189L149-E185 HydrophobicContact CD1-CB 4.07Å; L149-E185 HydrophobicContact CD2-CB 4.07Å; L168-E185 HydrophobicContact CD1-CB 4.06Å; L168-E185 HydrophobicContact CD1-CG 3.74Å; T183-E185 WeakPolarHBondContact CB-OE2 3.49Å; T183-E185 PolarHBondContact O-N 3.21Å; T183-E185 PolarHBondContact OG1-OE2 3.23Å; E185-L187 VanDerWaalsContact C-N 3.32Å; E185-L187 PolarHBondContact O-N 3.44Å; E185-A188 WeakPolarHBondContact O-CB 3.44Å; E185-A188 PolarHBondContact O-N 3.19Å; E185-Y189 WeakPolarHBondContact O-CD2 3.47Å; E185-Y189 PolarHBondContact O-N 3.14Å; E185-Y189 VanDerWaalsContact O-N 3.11Å
186M93.9Very high89.6Confident0 Ų067.7 Ų67.70%037%0.368CS..Hα-helixtrans-61.5-42176.5-69-179.767.100112.2L149 L151 Y170 T183 A188 Y189 R190 L214 Y219L149-M186 HydrophobicContact CD2-CG 4.16Å; L151-M186 HydrophobicContact CD1-CE 4.19Å; L151-M186 HydrophobicContact CD1-CG 3.98Å; L151-M186 HydrophobicContact CD1-SD 3.99Å; Y170-M186 HydrophobicContact CD1-SD 4.49Å; Y170-M186 HydrophobicContact CD2-SD 3.81Å; Y170-M186 HydrophobicContact CE1-CE 4.46Å; Y170-M186 HydrophobicContact CE1-SD 4.21Å; Y170-M186 HydrophobicContact CE2-SD 3.45Å; Y170-M186 WeakPolarHBondContact CE2-SD 3.23Å; Y170-M186 HydrophobicContact CG-SD 4.32Å; T183-M186 HydrophobicContact CG2-SD 4.42Å; T183-M186 PolarHBondContact O-N 3.35Å; T183-M186 VanDerWaalsContact O-N 3.13Å; T183-M186 WeakPolarHBondContact OG1-CG 3.46Å; T183-M186 PolarHBondContact OG1-N 3.05Å; M186-A188 VanDerWaalsContact C-N 3.34Å; M186-Y189 PolarHBondContact O-N 2.85Å; M186-R190 PolarHBondContact O-N 3.15Å; M186-L214 HydrophobicContact CE-CD1 4.17Å; M186-L214 HydrophobicContact CE-CD2 3.53Å; M186-Y219 HydrophobicContact CB-CE1 4.37Å; M186-Y219 HydrophobicContact CE-CE1 4.18Å; M186-Y219 HydrophobicContact CE-CE2 4.36Å
187L93.3Very high89.8Confident90 Ų9062.7 Ų62.747%0.47133%0.333SS..Hα-helixtrans-62.5-42.1175.5-70.5174.2000111.4E182 T183 T184 E185 Y189 R190E182-L187 HydrophobicContact CB-CD1 4.47Å; E182-L187 HydrophobicContact CB-CD2 3.95Å; E182-L187 HydrophobicContact CB-CG 3.95Å; E182-L187 HydrophobicContact CG-CD2 4.31Å; E182-L187 WeakPolarHBondContact OE1-CD2 3.13Å; T183-L187 PolarHBondContact O-N 3.34Å; T184-L187 PolarHBondContact O-N 3.4Å; E185-L187 VanDerWaalsContact C-N 3.32Å; E185-L187 PolarHBondContact O-N 3.44Å; L187-Y189 PolarHBondContact O-N 3.36Å; L187-R190 PolarHBondContact O-N 2.78Å
188A92.4Very high90.1Very high41 Ų4158.3 Ų58.334%0.33932%0.317SS..Hα-helixtrans-61.8-28.817700000112.7T184 E185 M186 R192T184-A188 WeakPolarHBondContact O-CB 3.26Å; T184-A188 PolarHBondContact O-N 3.27Å; E185-A188 WeakPolarHBondContact O-CB 3.44Å; E185-A188 PolarHBondContact O-N 3.19Å; M186-A188 VanDerWaalsContact C-N 3.34Å; A188-R192 WeakPolarHBondContact O-CD 3.48Å
189Y92.8Very high90.7Very high15 Ų1553.1 Ų53.16%0.05928%0.281CS..Hα-helixtrans-97.2-13.2-179.2-79.3-112.5000113.8V144 S146 L149 E185 M186 L187 N191 R192 H195 I197 N221V144-Y189 HydrophobicContact CG1-CD2 4.29Å; V144-Y189 HydrophobicContact CG1-CE2 3.42Å; V144-Y189 VanDerWaalsContact CG1-CE2 3.42Å; S146-Y189 VanDerWaalsContact O-CE1 3.25Å; S146-Y189 WeakPolarHBondContact O-CE1 3.28Å; S146-Y189 VanDerWaalsContact O-CZ 3.3Å; S146-Y189 PolarHBondContact O-OH 3.21Å; L149-Y189 HydrophobicContact CB-CD1 3.54Å; L149-Y189 HydrophobicContact CB-CD2 4.09Å; L149-Y189 HydrophobicContact CB-CE1 3.75Å; L149-Y189 HydrophobicContact CB-CE2 4.2Å; L149-Y189 HydrophobicContact CB-CG 3.77Å; L149-Y189 HydrophobicContact CD2-CD2 4.12Å; L149-Y189 HydrophobicContact CD2-CG 4.14Å; E185-Y189 WeakPolarHBondContact O-CD2 3.47Å; E185-Y189 PolarHBondContact O-N 3.14Å; E185-Y189 VanDerWaalsContact O-N 3.11Å; M186-Y189 PolarHBondContact O-N 2.85Å; L187-Y189 PolarHBondContact O-N 3.36Å; Y189-N191 PolarHBondContact O-N 3Å; Y189-N191 VanDerWaalsContact O-N 3.09Å; Y189-R192 PolarHBondContact O-N 2.67Å; Y189-H195 HydrophobicContact CD1-CB 3.59Å; Y189-H195 AromaticContact CD1-CD2 3.83Å; Y189-H195 HydrophobicContact CE1-CB 3.98Å; Y189-H195 AromaticContact CE1-CD2 3.5Å; Y189-H195 HydrophobicContact CG-CB 4.34Å; Y189-H195 AromaticContact CZ-CD2 3.89Å; Y189-I197 HydrophobicContact CG-CG1 4.46Å; Y189-N221 PolarHBondContact O-ND2 2.67Å
190R93Very high91.4Very high101 Ų10148.5 Ų48.538%0.38125%0.253SS..THydrogen-bonded Turntrans-55.8115.9-169.8-173.7176.6-179.8-165.82.4112.2E182 M186 L187 R192 Y219E182-R190 IonicContact OE1-CZ 3.75Å; E182-R190 IonicContact OE1-NH1 2.66Å; M186-R190 PolarHBondContact O-N 3.15Å; L187-R190 PolarHBondContact O-N 2.78Å; R190-R192 PolarHBondContact O-N 3.39Å; R190-Y219 HydrophobicContact CB-CD1 4.39Å; R190-Y219 HydrophobicContact CB-CE1 3.87Å; R190-Y219 HydrophobicContact CG-CD1 4.04Å; R190-Y219 HydrophobicContact CG-CE1 3.79Å
191N90.8Very high91.8Very high70 Ų7042.3 Ų42.337%0.37422%0.22SC..THydrogen-bonded Turntrans53.520.5174.7-60.4-31.5000116.2Y189 G218 C220 N221Y189-N191 PolarHBondContact O-N 3Å; Y189-N191 VanDerWaalsContact O-N 3.09Å; N191-G218 PolarHBondContact ND2-O 2.82Å; N191-G218 PolarHBondContact OD1-O 3.16Å; N191-C220 WeakPolarHBondContact OD1-CB 3.42Å; N191-C220 PolarHBondContact OD1-N 3.32Å; N191-N221 PolarHBondContact N-ND2 3.49Å; N191-N221 PolarHBondContact N-OD1 2.89Å
192R88.5Confident91.9Very high123 Ų12343.2 Ų43.246%0.46422%0.224SC..  trans-70.5135.2172-7217666.484.6-5.9109.4A188 Y189 R190 D194 H195A188-R192 WeakPolarHBondContact O-CD 3.48Å; Y189-R192 PolarHBondContact O-N 2.67Å; R190-R192 PolarHBondContact O-N 3.39Å; R192-D194 PolarHBondContact O-N 3.09Å; R192-H195 HydrophobicContact CB-CB 3.98Å; R192-H195 PolarHBondContact O-N 3.09Å
193P79.8Confident92Very high103 Ų10344.1 Ų44.167%0.66923%0.23SC*.THydrogen-bonded Turntrans-65.6-28.7-176.225.7-34.3000113
194D81.4Confident92.1Very high30 Ų3044.6 Ų44.616%0.1623%0.23CC..THydrogen-bonded Turntrans-97.82.3-174.2-57-23.9000112.9F67 R192F67-D194 HydrophobicContact CB-CB 4.47Å; F67-D194 WeakPolarHBondContact O-CA 3.41Å; F67-D194 WeakPolarHBondContact O-CB 3.36Å; R192-D194 PolarHBondContact O-N 3.09Å
195H88.1Confident92.2Very high15 Ų1548.5 Ų48.57%0.06923%0.232CC..  trans-131.1146-174.2-59.950.8000110.5S146 P147 Y189 R192 N221S146-H195 PolarHBondContact O-CD2 3.34Å; P147-H195 CarbonylContact O-C 3.51Å; P147-H195 VanDerWaalsContact O-CA 3.29Å; P147-H195 WeakPolarHBondContact O-CA 3.46Å; Y189-H195 HydrophobicContact CD1-CB 3.59Å; Y189-H195 AromaticContact CD1-CD2 3.83Å; Y189-H195 HydrophobicContact CE1-CB 3.98Å; Y189-H195 AromaticContact CE1-CD2 3.5Å; Y189-H195 HydrophobicContact CG-CB 4.34Å; Y189-H195 AromaticContact CZ-CD2 3.89Å; R192-H195 HydrophobicContact CB-CB 3.98Å; R192-H195 PolarHBondContact O-N 3.09Å; H195-N221 PolarHBondContact O-ND2 2.74Å
196I92.2Very high92.4Very high4 Ų448.1 Ų48.12%0.02123%0.232CC..EExtended strand (participates in β ladder)trans-127.4154.7175.457.7174.3000111.8I14 L35 I69 P147 Y148 L149 I198 F223I14-I196 HydrophobicContact CD1-CD1 3.33Å; L35-I196 HydrophobicContact CD2-CD1 4.04Å; I69-I196 HydrophobicContact CD1-CB 4.27Å; I69-I196 HydrophobicContact CD1-CD1 4.48Å; I69-I196 HydrophobicContact CD1-CG1 4.11Å; I69-I196 HydrophobicContact CD1-CG2 3.51Å; I69-I196 HydrophobicContact CG2-CG2 4.08Å; P147-I196 PolarHBondContact O-N 3.31Å; Y148-I196 CarbonylContact C-O 3.56Å; Y148-I196 VanDerWaalsContact CA-O 3.3Å; Y148-I196 WeakPolarHBondContact CA-O 3.38Å; L149-I196 PolarHBondContact N-O 3.4Å; I196-I198 HydrophobicContact CD1-CD1 3.87Å; I196-I198 HydrophobicContact CD1-CG1 4Å; I196-I198 HydrophobicContact CG1-CG1 4.33Å; I196-F223 HydrophobicContact CB-CD2 3.91Å; I196-F223 HydrophobicContact CB-CE2 3.96Å; I196-F223 HydrophobicContact CG2-CD2 3.87Å; I196-F223 HydrophobicContact CG2-CE2 3.37Å; I196-F223 HydrophobicContact CG2-CZ 4.27Å
197I95.1Very high92.6Very high0 Ų048.1 Ų48.10%023%0.232CC..EExtended strand (participates in β ladder)trans-112.4126.4171.9-58176.5000107.4L149 L151 Y189 Y219 N221 L222 F223L149-I197 HydrophobicContact CB-CG1 4.33Å; L149-I197 HydrophobicContact CD2-CG1 4.31Å; L149-I197 CarbonylContact O-C 3.57Å; L149-I197 WeakPolarHBondContact O-CA 3.49Å; L151-I197 HydrophobicContact CD1-CG2 3.58Å; L151-I197 HydrophobicContact CG-CG2 4.1Å; Y189-I197 HydrophobicContact CG-CG1 4.46Å; I197-Y219 HydrophobicContact CD1-CD1 3.62Å; I197-Y219 HydrophobicContact CD1-CE1 3.66Å; I197-N221 PolarHBondContact N-O 2.81Å; I197-N221 VanDerWaalsContact N-O 3.08Å; I197-L222 CarbonylContact O-C 3.09Å; I197-L222 WeakPolarHBondContact O-CA 3.34Å; I197-F223 PolarHBondContact O-N 2.79Å
198I96.8Very high92.7Very high0 Ų045.2 Ų45.20%022%0.219CC..EExtended strand (participates in β ladder)trans-113.8126.5-179.7-55.8176.1000108.1I27 F32 L35 L149 L150 L151 I196 F223 L225I27-I198 HydrophobicContact CD1-CD1 4.4Å; F32-I198 HydrophobicContact CD2-CD1 3.56Å; F32-I198 HydrophobicContact CE2-CD1 3.78Å; L35-I198 HydrophobicContact CD2-CD1 4.3Å; L149-I198 PolarHBondContact O-N 2.87Å; L150-I198 CarbonylContact C-O 3.5Å; L150-I198 WeakPolarHBondContact CA-O 3.5Å; L150-I198 HydrophobicContact CD1-CB 3.72Å; L150-I198 HydrophobicContact CD1-CG2 3.58Å; L151-I198 PolarHBondContact N-O 2.96Å; I196-I198 HydrophobicContact CD1-CD1 3.87Å; I196-I198 HydrophobicContact CD1-CG1 4Å; I196-I198 HydrophobicContact CG1-CG1 4.33Å; I198-F223 CarbonylContact C-O 3.47Å; I198-F223 VanDerWaalsContact CA-O 3.26Å; I198-F223 WeakPolarHBondContact CA-O 3.44Å; I198-F223 HydrophobicContact CG1-CB 4.43Å; I198-L225 HydrophobicContact CG2-CB 3.98Å; I198-L225 HydrophobicContact CG2-CD1 4.42Å
199V97.6Very high92.9Very high0 Ų052.1 Ų52.10%024%0.236CC..EExtended strand (participates in β ladder)trans-111.2136.7179.2177.20000110.2L151 V153 A207 A210 L214 L222 F223 M224 L225L151-V199 HydrophobicContact CB-CG2 4.38Å; L151-V199 HydrophobicContact CD1-CG2 4.37Å; L151-V199 WeakPolarHBondContact O-CA 3.3Å; V153-V199 HydrophobicContact CG1-CG1 3.45Å; V153-V199 VanDerWaalsContact CG1-CG1 3.45Å; V153-V199 HydrophobicContact CG2-CG1 4.31Å; V199-A207 HydrophobicContact CG1-CB 4.36Å; V199-A210 HydrophobicContact CG1-CB 4.34Å; V199-L214 HydrophobicContact CG2-CD1 4.15Å; V199-L222 HydrophobicContact CG2-CD1 4Å; V199-L222 HydrophobicContact CG2-CD2 4.47Å; V199-L222 HydrophobicContact CG2-CG 4.26Å; V199-F223 PolarHBondContact N-O 2.78Å; V199-M224 WeakPolarHBondContact O-CA 3.44Å; V199-L225 PolarHBondContact O-N 3.14Å
200Y97.8Very high93.1Very high0 Ų051.4 Ų51.40%023%0.233CC..EExtended strand (participates in β ladder)trans-147.6165.4175.782.1-83.3000112.9L150 L151 D152 V153 H163 I164 A167 L225 L229L150-Y200 HydrophobicContact CD1-CD1 3.61Å; L150-Y200 HydrophobicContact CD1-CE1 3.98Å; L150-Y200 HydrophobicContact CD2-CD1 4.35Å; L150-Y200 HydrophobicContact CD2-CE1 3.93Å; L150-Y200 HydrophobicContact CG-CD1 3.89Å; L150-Y200 HydrophobicContact CG-CE1 3.72Å; L151-Y200 VanDerWaalsContact O-CD1 3.31Å; L151-Y200 WeakPolarHBondContact O-CD1 2.94Å; L151-Y200 PolarHBondContact O-N 3.19Å; D152-Y200 HydrophobicContact CB-CE1 3.81Å; D152-Y200 HydrophobicContact CB-CE2 4.32Å; D152-Y200 WeakPolarHBondContact CB-OH 3.45Å; D152-Y200 VanDerWaalsContact OD2-CE2 3.31Å; D152-Y200 WeakPolarHBondContact OD2-CE2 3.25Å; D152-Y200 PolarHBondContact OD2-OH 2.65Å; V153-Y200 WeakPolarHBondContact CG2-O 2.89Å; V153-Y200 PolarHBondContact N-O 3.01Å; H163-Y200 WeakPolarHBondContact CB-OH 3.46Å; I164-Y200 HydrophobicContact CB-CE1 4.37Å; I164-Y200 HydrophobicContact CD1-CD1 4.28Å; I164-Y200 HydrophobicContact CD1-CD2 3.97Å; I164-Y200 HydrophobicContact CD1-CE1 4.13Å; I164-Y200 HydrophobicContact CD1-CE2 3.86Å; I164-Y200 HydrophobicContact CD1-CG 4.19Å; I164-Y200 HydrophobicContact CG1-CE1 4.41Å; I164-Y200 HydrophobicContact CG1-CE2 3.97Å; I164-Y200 PolarHBondContact N-OH 2.77Å; I164-Y200 VanDerWaalsContact N-OH 3.09Å; A167-Y200 HydrophobicContact CB-CE1 3.76Å; A167-Y200 WeakPolarHBondContact CB-OH 3.49Å; Y200-L225 HydrophobicContact CG-CD2 4.22Å; Y200-L229 HydrophobicContact CE2-CD1 4.42Å
201D95.8Very high93.3Very high1 Ų146.6 Ų46.61%0.00522%0.215CC..  trans-142.4-162.3174.961.7-0.8000110.2V153 R154 E204 R205 L206 A207 G228 L229V153-D201 HydrophobicContact CG2-CB 3.9Å; R154-D201 HydrophobicContact CG-CB 4.24Å; D201-E204 VanDerWaalsContact CG-N 3.31Å; D201-E204 WeakPolarHBondContact OD1-CA 3.26Å; D201-E204 PolarHBondContact OD1-N 2.94Å; D201-E204 WeakPolarHBondContact OD2-CA 3.49Å; D201-E204 PolarHBondContact OD2-N 3.08Å; D201-R205 PolarHBondContact OD2-N 3.05Å; D201-L206 HydrophobicContact CB-CB 4.17Å; D201-L206 WeakPolarHBondContact OD2-CA 3.36Å; D201-L206 PolarHBondContact OD2-N 3.21Å; D201-A207 HydrophobicContact CB-CB 4.07Å; D201-A207 VanDerWaalsContact CG-CB 3.49Å; D201-A207 WeakPolarHBondContact OD2-CB 3.39Å; D201-A207 PolarHBondContact OD2-N 2.78Å; D201-G228 CarbonylContact O-C 3.6Å; D201-G228 WeakPolarHBondContact O-CA 3.43Å; D201-L229 PolarHBondContact O-N 2.99Å
202E94Very high93.5Very high43 Ų4344.9 Ų44.920%0.20121%0.208CC..SBendtrans-73.1-52.6177.5-172.3-179.1169.500112.7L229 K230 S248 I249E202-L229 PolarHBondContact O-N 3.2Å; E202-L229 VanDerWaalsContact O-N 3.16Å; E202-K230 VanDerWaalsContact O-CB 3.26Å; E202-K230 WeakPolarHBondContact O-CB 3.45Å; E202-K230 PolarHBondContact O-N 3.34Å; E202-S248 PolarHBondContact OE1-OG 3.24Å; E202-I249 HydrophobicContact CG-CD1 4Å; E202-I249 HydrophobicContact CG-CG1 4.29Å; E202-I249 WeakPolarHBondContact OE1-CG1 3.45Å
203D92.4Very high93.9Very high69 Ų6940.5 Ų40.537%0.36920%0.195SC..SBendtrans-138.322.3-164.869.6-18000115R205 K230D203-R205 VanDerWaalsContact C-N 3.35Å; D203-R205 VanDerWaalsContact CG-CD 3.45Å; D203-R205 WeakPolarHBondContact OD1-CB 3.42Å; D203-R205 WeakPolarHBondContact OD1-CD 3.31Å; D203-R205 WeakPolarHBondContact OD1-CG 3.3Å; D203-R205 PolarHBondContact OD1-N 2.97Å; D203-R205 WeakPolarHBondContact OD2-CD 3.32Å; D203-K230 HydrophobicContact CB-CD 4.49Å
204E94.3Very high94.6Very high48 Ų4835.6 Ų35.622%0.22416%0.163CC..SBendtrans64.721.3-175.5-54.4-168.1179.100116.3R26 D201 P208 M224 S226 G227R26-E204 IonicContact CZ-OE2 2.66Å; R26-E204 IonicContact NH1-OE1 3.48Å; R26-E204 PolarHBondContact NH1-OE1 3.27Å; R26-E204 IonicContact NH1-OE2 3.92Å; R26-E204 PolarHBondContact NH1-OE2 3.2Å; R26-E204 IonicContact NH2-OE2 3.13Å; R26-E204 PolarHBondContact NH2-OE2 3.12Å; D201-E204 VanDerWaalsContact CG-N 3.31Å; D201-E204 WeakPolarHBondContact OD1-CA 3.26Å; D201-E204 PolarHBondContact OD1-N 2.94Å; D201-E204 WeakPolarHBondContact OD2-CA 3.49Å; D201-E204 PolarHBondContact OD2-N 3.08Å; E204-P208 HydrophobicContact CB-CG 4.35Å; E204-P208 WeakPolarHBondContact O-CD 3.37Å; E204-P208 WeakPolarHBondContact O-CG 3.5Å; E204-M224 HydrophobicContact CG-CE 4.02Å; E204-S226 WeakPolarHBondContact OE1-CA 3.36Å; E204-G227 PolarHBondContact OE1-N 3.18Å
205R94.8Very high95.3Very high196 Ų19635.7 Ų35.774%0.7417%0.165SC*.SBendtrans-79-36.6175.7-71.2174.866.7-171.5-1.9113.8D201 D203D201-R205 PolarHBondContact OD2-N 3.05Å; D203-R205 VanDerWaalsContact C-N 3.35Å; D203-R205 VanDerWaalsContact CG-CD 3.45Å; D203-R205 WeakPolarHBondContact OD1-CB 3.42Å; D203-R205 WeakPolarHBondContact OD1-CD 3.31Å; D203-R205 WeakPolarHBondContact OD1-CG 3.3Å; D203-R205 PolarHBondContact OD1-N 2.97Å; D203-R205 WeakPolarHBondContact OD2-CD 3.32Å
206L96.4Very high95.6Very high61 Ų6141.8 Ų41.832%0.31919%0.193SC..SBendtrans-99.4-39.2-176.3-60.5-179.1000111.5V153 I172 D201 R209 A210V153-L206 HydrophobicContact CG2-CB 3.82Å; I172-L206 HydrophobicContact CD1-CB 4.14Å; I172-L206 HydrophobicContact CD1-CD2 4.13Å; I172-L206 HydrophobicContact CG2-CD1 4.41Å; I172-L206 HydrophobicContact CG2-CD2 4.34Å; D201-L206 HydrophobicContact CB-CB 4.17Å; D201-L206 WeakPolarHBondContact OD2-CA 3.36Å; D201-L206 PolarHBondContact OD2-N 3.21Å; L206-R209 PolarHBondContact O-N 2.55Å; L206-A210 PolarHBondContact O-N 3.08Å
207A96.7Very high95.7Very high0 Ų045.5 Ų45.50%021%0.207CC..Hα-helixtrans-59.1-43.3-172.400000114V153 V199 D201 R209 A210 A211 M224V153-A207 HydrophobicContact CG2-CB 4.32Å; V199-A207 HydrophobicContact CG1-CB 4.36Å; D201-A207 HydrophobicContact CB-CB 4.07Å; D201-A207 VanDerWaalsContact CG-CB 3.49Å; D201-A207 WeakPolarHBondContact OD2-CB 3.39Å; D201-A207 PolarHBondContact OD2-N 2.78Å; A207-R209 VanDerWaalsContact C-N 3.33Å; A207-R209 PolarHBondContact O-N 3.32Å; A207-A210 PolarHBondContact O-N 2.75Å; A207-A211 WeakPolarHBondContact O-CB 3.3Å; A207-A211 PolarHBondContact O-N 3.22Å; A207-M224 HydrophobicContact CB-CG 3.92Å; A207-M224 HydrophobicContact CB-SD 3.86Å
208P96.2Very high95.7Very high30 Ų3046.7 Ų46.720%0.19522%0.219CC..Hα-helixtrans-62.8-37.7178.1-25.635.9000113.5F24 E204 S212 M224F24-P208 HydrophobicContact CE1-CB 4.35Å; F24-P208 HydrophobicContact CZ-CB 3.93Å; E204-P208 HydrophobicContact CB-CG 4.35Å; E204-P208 WeakPolarHBondContact O-CD 3.37Å; E204-P208 WeakPolarHBondContact O-CG 3.5Å; P208-S212 WeakPolarHBondContact O-CB 3.29Å; P208-S212 PolarHBondContact O-N 2.85Å; P208-S212 PolarHBondContact O-OG 2.8Å; P208-M224 HydrophobicContact CB-SD 4.23Å; P208-M224 HydrophobicContact CG-CE 4.31Å; P208-M224 HydrophobicContact CG-SD 3.8Å
209R96Very high95.6Very high186 Ų18646.7 Ų46.770%0.70222%0.219SC*.Hα-helixtrans-67.5-48.9176.7-177.8178.1177.4-175.9-0.1110I172 L206 A207 S212 T213I172-R209 HydrophobicContact CD1-CB 4.27Å; I172-R209 HydrophobicContact CD1-CG 4.28Å; L206-R209 PolarHBondContact O-N 2.55Å; A207-R209 VanDerWaalsContact C-N 3.33Å; A207-R209 PolarHBondContact O-N 3.32Å; R209-S212 PolarHBondContact O-N 3.02Å; R209-T213 WeakPolarHBondContact O-CB 3.26Å; R209-T213 PolarHBondContact O-N 3.47Å; R209-T213 PolarHBondContact O-OG1 3Å; R209-T213 VanDerWaalsContact O-OG1 3.06Å
210A97Very high95.3Very high0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-59.6-47.5178.100000112.2V153 I172 L175 V199 L206 A207 S212 T213 L214V153-A210 HydrophobicContact CB-CB 4.28Å; V153-A210 HydrophobicContact CG1-CB 3.84Å; V153-A210 HydrophobicContact CG2-CB 4.3Å; I172-A210 HydrophobicContact CD1-CB 4.41Å; I172-A210 HydrophobicContact CG1-CB 4.38Å; L175-A210 HydrophobicContact CD1-CB 3.68Å; V199-A210 HydrophobicContact CG1-CB 4.34Å; L206-A210 PolarHBondContact O-N 3.08Å; A207-A210 PolarHBondContact O-N 2.75Å; A210-S212 PolarHBondContact O-N 3.45Å; A210-T213 PolarHBondContact O-N 2.97Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 2.6Å
211A97Very high95.1Very high0 Ų051.5 Ų51.50%025%0.251CS..Hα-helixtrans-60-46.9177.800000111.9F24 A207 T213 L214 V215 L222 M224F24-A211 HydrophobicContact CB-CB 4.14Å; F24-A211 HydrophobicContact CD1-CB 3.77Å; F24-A211 HydrophobicContact CD2-CB 4.09Å; F24-A211 HydrophobicContact CE1-CB 4.18Å; F24-A211 HydrophobicContact CE2-CB 4.47Å; F24-A211 HydrophobicContact CG-CB 3.73Å; A207-A211 WeakPolarHBondContact O-CB 3.3Å; A207-A211 PolarHBondContact O-N 3.22Å; A211-T213 VanDerWaalsContact C-N 3.34Å; A211-T213 PolarHBondContact O-N 2.77Å; A211-L214 PolarHBondContact O-N 3.4Å; A211-V215 WeakPolarHBondContact O-CG2 3.38Å; A211-V215 PolarHBondContact O-N 3.06Å; A211-L222 HydrophobicContact CB-CD2 3.63Å; A211-M224 HydrophobicContact CB-CB 4.44Å; A211-M224 HydrophobicContact CB-CG 4.38Å
212S96.3Very high95Very high34 Ų3451.6 Ų51.624%0.23825%0.251CS..Hα-helixtrans-60.3-45.6178.1-58.80000111.6F24 P208 R209 A210 L214 V215 Q216F24-S212 WeakPolarHBondContact CE1-OG 3.49Å; P208-S212 WeakPolarHBondContact O-CB 3.29Å; P208-S212 PolarHBondContact O-N 2.85Å; P208-S212 PolarHBondContact O-OG 2.8Å; R209-S212 PolarHBondContact O-N 3.02Å; A210-S212 PolarHBondContact O-N 3.45Å; S212-L214 PolarHBondContact O-N 3.1Å; S212-V215 PolarHBondContact O-N 3.47Å; S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 VanDerWaalsContact O-CG 3.28Å; S212-Q216 WeakPolarHBondContact O-CG 3.33Å; S212-Q216 PolarHBondContact O-N 3.39Å
213T95.5Very high95.1Very high30 Ų3049.9 Ų49.918%0.18424%0.243CC..Hα-helixtrans-62.9-40178.4-65.60000112.5L175 R209 A210 A211 Q216 R217L175-T213 HydrophobicContact CB-CG2 4.19Å; L175-T213 HydrophobicContact CD1-CG2 4.24Å; L175-T213 HydrophobicContact CD2-CG2 4.25Å; L175-T213 HydrophobicContact CG-CG2 4.49Å; R209-T213 WeakPolarHBondContact O-CB 3.26Å; R209-T213 PolarHBondContact O-N 3.47Å; R209-T213 PolarHBondContact O-OG1 3Å; R209-T213 VanDerWaalsContact O-OG1 3.06Å; A210-T213 PolarHBondContact O-N 2.97Å; A211-T213 VanDerWaalsContact C-N 3.34Å; A211-T213 PolarHBondContact O-N 2.77Å; T213-Q216 PolarHBondContact O-N 3.34Å; T213-R217 WeakPolarHBondContact O-CB 3.19Å; T213-R217 WeakPolarHBondContact O-CG 3.39Å; T213-R217 PolarHBondContact O-N 3.25Å; T213-R217 VanDerWaalsContact O-N 3.08Å
214L96Very high95.3Very high0 Ų046.6 Ų46.60%023%0.226CC..Hα-helixtrans-69.3-41.4177.3-75171.1000112.4L175 F181 M186 V199 A210 A211 S212 Q216 R217 G218 Y219 L222L175-L214 HydrophobicContact CD1-CG 4.49Å; L175-L214 HydrophobicContact CD2-CD2 3.6Å; L175-L214 HydrophobicContact CD2-CG 3.88Å; F181-L214 HydrophobicContact CE2-CD2 4.43Å; M186-L214 HydrophobicContact CE-CD1 4.17Å; M186-L214 HydrophobicContact CE-CD2 3.53Å; V199-L214 HydrophobicContact CG2-CD1 4.15Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 2.6Å; A211-L214 PolarHBondContact O-N 3.4Å; S212-L214 PolarHBondContact O-N 3.1Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 3.31Å; L214-R217 CarbonylContact O-C 3.55Å; L214-R217 PolarHBondContact O-N 3.18Å; L214-R217 VanDerWaalsContact O-N 3.12Å; L214-G218 PolarHBondContact O-N 3.27Å; L214-Y219 HydrophobicContact CB-CD2 4.37Å; L214-Y219 HydrophobicContact CD2-CD2 4.07Å; L214-Y219 HydrophobicContact CD2-CE2 4.15Å; L214-Y219 WeakPolarHBondContact O-CB 3.37Å; L214-Y219 WeakPolarHBondContact O-CD2 3.4Å; L214-Y219 PolarHBondContact O-N 3.35Å; L214-Y219 VanDerWaalsContact O-N 3.1Å; L214-L222 HydrophobicContact CB-CD1 3.4Å; L214-L222 HydrophobicContact CD1-CD1 3.58Å; L214-L222 HydrophobicContact CG-CD1 4.13Å
215V95.9Very high95.4Very high32 Ų3244.3 Ų44.319%0.19422%0.215CC..Hα-helixtrans-61.4-43.8174174.10000110.8I23 F24 A211 S212 R217 G218 Y219 L222I23-V215 HydrophobicContact CB-CG1 4.24Å; I23-V215 HydrophobicContact CD1-CB 3.92Å; I23-V215 HydrophobicContact CD1-CG1 3.8Å; I23-V215 HydrophobicContact CG1-CB 4.1Å; I23-V215 HydrophobicContact CG1-CG1 3.95Å; F24-V215 HydrophobicContact CB-CG2 3.91Å; A211-V215 WeakPolarHBondContact O-CG2 3.38Å; A211-V215 PolarHBondContact O-N 3.06Å; S212-V215 PolarHBondContact O-N 3.47Å; V215-R217 PolarHBondContact O-N 3.06Å; V215-G218 WeakPolarHBondContact O-CA 3.37Å; V215-G218 PolarHBondContact O-N 3.31Å; V215-Y219 WeakPolarHBondContact CG2-O 3.35Å; V215-L222 HydrophobicContact CG2-CB 4.34Å; V215-L222 HydrophobicContact CG2-CD2 4.27Å
216Q94.5Very high95.4Very high143 Ų14336.1 Ų36.167%0.66819%0.188SC*.Hα-helixtrans-61.3-29.4175.5-74.9168.7-18.200113I23 S212 T213 L214 G218I23-Q216 HydrophobicContact CD1-CG 3.7Å; S212-Q216 WeakPolarHBondContact O-CB 3.48Å; S212-Q216 VanDerWaalsContact O-CG 3.28Å; S212-Q216 WeakPolarHBondContact O-CG 3.33Å; S212-Q216 PolarHBondContact O-N 3.39Å; T213-Q216 PolarHBondContact O-N 3.34Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 3.31Å; Q216-G218 VanDerWaalsContact C-N 3.25Å; Q216-G218 PolarHBondContact O-N 2.98Å
217R93.6Very high95.2Very high82 Ų8234 Ų3431%0.30918%0.18SC..THydrogen-bonded Turntrans-83.13.8173.8-74.2171.5151.1129.1-9.7113.8L175 R177 F181 T213 L214 V215L175-R217 PolarHBondContact O-NH1 2.67Å; L175-R217 PolarHBondContact O-NH2 3.36Å; L175-R217 VanDerWaalsContact O-NH2 3.1Å; R177-R217 PolarHBondContact O-NH2 3.09Å; R177-R217 VanDerWaalsContact O-NH2 3.13Å; F181-R217 HydrophobicContact CE2-CB 4.33Å; F181-R217 HydrophobicContact CE2-CG 4.48Å; F181-R217 HydrophobicContact CZ-CB 4.13Å; F181-R217 HydrophobicContact CZ-CG 4.22Å; T213-R217 WeakPolarHBondContact O-CB 3.19Å; T213-R217 WeakPolarHBondContact O-CG 3.39Å; T213-R217 PolarHBondContact O-N 3.25Å; T213-R217 VanDerWaalsContact O-N 3.08Å; L214-R217 CarbonylContact O-C 3.55Å; L214-R217 PolarHBondContact O-N 3.18Å; L214-R217 VanDerWaalsContact O-N 3.12Å; V215-R217 PolarHBondContact O-N 3.06Å
218G94.2Very high95Very high25 Ų2534 Ų3426%0.25818%0.18SC..THydrogen-bonded Turntrans99.220.3170.600000115.5N191 L214 V215 Q216N191-G218 PolarHBondContact ND2-O 2.82Å; N191-G218 PolarHBondContact OD1-O 3.16Å; L214-G218 PolarHBondContact O-N 3.27Å; V215-G218 WeakPolarHBondContact O-CA 3.37Å; V215-G218 PolarHBondContact O-N 3.31Å; Q216-G218 VanDerWaalsContact C-N 3.25Å; Q216-G218 PolarHBondContact O-N 2.98Å
219Y95.1Very high94.9Very high0 Ų032.5 Ų32.50%017%0.171CC..  trans-89.7101.3171.9-73.9-94.9000111.3F181 E182 M186 R190 I197 L214 V215F181-Y219 HydrophobicContact CE2-CE2 4.29Å; E182-Y219 HydrophobicContact CG-CE2 4.48Å; E182-Y219 WeakPolarHBondContact CG-OH 3.25Å; E182-Y219 WeakPolarHBondContact OE1-CE2 3.45Å; E182-Y219 VanDerWaalsContact OE1-CZ 3.29Å; E182-Y219 PolarHBondContact OE1-OH 3.28Å; M186-Y219 HydrophobicContact CB-CE1 4.37Å; M186-Y219 HydrophobicContact CE-CE1 4.18Å; M186-Y219 HydrophobicContact CE-CE2 4.36Å; R190-Y219 HydrophobicContact CB-CD1 4.39Å; R190-Y219 HydrophobicContact CB-CE1 3.87Å; R190-Y219 HydrophobicContact CG-CD1 4.04Å; R190-Y219 HydrophobicContact CG-CE1 3.79Å; I197-Y219 HydrophobicContact CD1-CD1 3.62Å; I197-Y219 HydrophobicContact CD1-CE1 3.66Å; L214-Y219 HydrophobicContact CB-CD2 4.37Å; L214-Y219 HydrophobicContact CD2-CD2 4.07Å; L214-Y219 HydrophobicContact CD2-CE2 4.15Å; L214-Y219 WeakPolarHBondContact O-CB 3.37Å; L214-Y219 WeakPolarHBondContact O-CD2 3.4Å; L214-Y219 PolarHBondContact O-N 3.35Å; L214-Y219 VanDerWaalsContact O-N 3.1Å; V215-Y219 WeakPolarHBondContact CG2-O 3.35Å
220C91.7Very high94.7Very high87 Ų8727.4 Ų27.459%0.58815%0.154SC*.  trans-92.9-22.3-175.8-60.90000113.8K25 N191 L222K25-C220 PolarHBondContact NZ-O 3.16Å; N191-C220 WeakPolarHBondContact OD1-CB 3.42Å; N191-C220 PolarHBondContact OD1-N 3.32Å; C220-L222 PolarHBondContact O-N 2.81Å
221N92.9Very high94.5Very high15 Ų1529.7 Ų29.78%0.0817%0.168CC..SBendtrans-90.722.7175.367.5-32.5000112.9Y189 N191 H195 I197 F223Y189-N221 PolarHBondContact O-ND2 2.67Å; N191-N221 PolarHBondContact N-ND2 3.49Å; N191-N221 PolarHBondContact N-OD1 2.89Å; H195-N221 PolarHBondContact O-ND2 2.74Å; I197-N221 PolarHBondContact N-O 2.81Å; I197-N221 VanDerWaalsContact N-O 3.08Å; N221-F223 WeakPolarHBondContact O-CD2 3.49Å
222L94.8Very high94.3Very high2 Ų229.7 Ų29.71%0.0117%0.168CC..EExtended strand (participates in β ladder)trans-88.8137.5-179.7-170.4145.9000112.3F24 I197 V199 A211 L214 V215 C220F24-L222 HydrophobicContact CB-CD2 4.16Å; I197-L222 CarbonylContact O-C 3.09Å; I197-L222 WeakPolarHBondContact O-CA 3.34Å; V199-L222 HydrophobicContact CG2-CD1 4Å; V199-L222 HydrophobicContact CG2-CD2 4.47Å; V199-L222 HydrophobicContact CG2-CG 4.26Å; A211-L222 HydrophobicContact CB-CD2 3.63Å; L214-L222 HydrophobicContact CB-CD1 3.4Å; L214-L222 HydrophobicContact CD1-CD1 3.58Å; L214-L222 HydrophobicContact CG-CD1 4.13Å; V215-L222 HydrophobicContact CG2-CB 4.34Å; V215-L222 HydrophobicContact CG2-CD2 4.27Å; C220-L222 PolarHBondContact O-N 2.81Å
223F95.3Very high94Very high7 Ų729.4 Ų29.43%0.03116%0.162CC..EExtended strand (participates in β ladder)trans-130.5149.6175.3-63.9-100000110Y16 K25 I27 I196 I197 I198 V199 N221Y16-F223 AromaticContact CD1-CE1 3.61Å; Y16-F223 HydrophobicContact CD1-CE1 3.61Å; Y16-F223 HydrophobicContact CD1-CZ 4.37Å; Y16-F223 HydrophobicContact CE1-CE1 4.19Å; Y16-F223 HydrophobicContact CG-CD1 4.43Å; Y16-F223 AromaticContact CG-CE1 3.84Å; Y16-F223 HydrophobicContact CG-CE1 3.84Å; K25-F223 HydrophobicContact CB-CD1 3.33Å; K25-F223 HydrophobicContact CB-CE1 3.6Å; K25-F223 HydrophobicContact CB-CG 4.11Å; K25-F223 HydrophobicContact CB-CZ 4.5Å; K25-F223 HydrophobicContact CD-CD1 3.97Å; K25-F223 HydrophobicContact CD-CE1 3.37Å; K25-F223 HydrophobicContact CD-CE2 4.26Å; K25-F223 HydrophobicContact CD-CZ 3.54Å; K25-F223 HydrophobicContact CG-CD1 4.27Å; K25-F223 HydrophobicContact CG-CE1 4.07Å; K25-F223 CarbonylContact O-C 3.46Å; K25-F223 VanDerWaalsContact O-CA 3.3Å; K25-F223 WeakPolarHBondContact O-CA 3.41Å; I27-F223 HydrophobicContact CD1-CB 3.46Å; I27-F223 VanDerWaalsContact CD1-CB 3.46Å; I27-F223 HydrophobicContact CD1-CD1 3.44Å; I27-F223 VanDerWaalsContact CD1-CD1 3.44Å; I27-F223 HydrophobicContact CD1-CD2 4.35Å; I27-F223 HydrophobicContact CD1-CE1 4.21Å; I27-F223 HydrophobicContact CD1-CG 3.49Å; I27-F223 VanDerWaalsContact CD1-CG 3.49Å; I27-F223 HydrophobicContact CG1-CB 3.89Å; I27-F223 HydrophobicContact CG1-CD1 3.53Å; I27-F223 HydrophobicContact CG1-CE1 4.36Å; I27-F223 HydrophobicContact CG1-CG 4Å; I196-F223 HydrophobicContact CB-CD2 3.91Å; I196-F223 HydrophobicContact CB-CE2 3.96Å; I196-F223 HydrophobicContact CG2-CD2 3.87Å; I196-F223 HydrophobicContact CG2-CE2 3.37Å; I196-F223 HydrophobicContact CG2-CZ 4.27Å; I197-F223 PolarHBondContact O-N 2.79Å; I198-F223 CarbonylContact C-O 3.47Å; I198-F223 VanDerWaalsContact CA-O 3.26Å; I198-F223 WeakPolarHBondContact CA-O 3.44Å; I198-F223 HydrophobicContact CG1-CB 4.43Å; V199-F223 PolarHBondContact N-O 2.78Å; N221-F223 WeakPolarHBondContact O-CD2 3.49Å
224M96.3Very high93.7Very high0 Ų034.4 Ų34.40%018%0.181CC..EExtended strand (participates in β ladder)trans-111.7130.8176-159.7-163.189.300109.9F24 K25 R26 I27 V199 E204 A207 P208 A211 S226F24-M224 HydrophobicContact CD2-CB 3.72Å; F24-M224 HydrophobicContact CD2-SD 4.26Å; F24-M224 HydrophobicContact CE2-CB 3.81Å; F24-M224 HydrophobicContact CE2-CE 4.33Å; F24-M224 HydrophobicContact CE2-CG 4.24Å; F24-M224 HydrophobicContact CE2-SD 3.45Å; F24-M224 WeakPolarHBondContact CE2-SD 3.15Å; F24-M224 HydrophobicContact CZ-SD 3.84Å; K25-M224 PolarHBondContact O-N 3.32Å; R26-M224 WeakPolarHBondContact CA-O 3.3Å; R26-M224 HydrophobicContact CG-CB 4.49Å; I27-M224 PolarHBondContact N-O 3.34Å; V199-M224 WeakPolarHBondContact O-CA 3.44Å; E204-M224 HydrophobicContact CG-CE 4.02Å; A207-M224 HydrophobicContact CB-CG 3.92Å; A207-M224 HydrophobicContact CB-SD 3.86Å; P208-M224 HydrophobicContact CB-SD 4.23Å; P208-M224 HydrophobicContact CG-CE 4.31Å; P208-M224 HydrophobicContact CG-SD 3.8Å; A211-M224 HydrophobicContact CB-CB 4.44Å; A211-M224 HydrophobicContact CB-CG 4.38Å; M224-S226 PolarHBondContact O-N 3.19Å
225L96.7Very high93.5Very high0 Ų035.3 Ų35.30%019%0.185CC..EExtended strand (participates in β ladder)trans-77.9111.5178.8-164.466.1000110.1I29 F32 I164 I198 V199 Y200I29-L225 HydrophobicContact CD1-CD1 3.86Å; I29-L225 HydrophobicContact CD1-CD2 3.4Å; I29-L225 HydrophobicContact CD1-CG 3.4Å; I29-L225 VanDerWaalsContact CD1-CG 3.4Å; F32-L225 HydrophobicContact CB-CD1 3.65Å; F32-L225 HydrophobicContact CD1-CD1 4.38Å; F32-L225 HydrophobicContact CG-CD1 4.05Å; I164-L225 HydrophobicContact CD1-CD2 3.59Å; I198-L225 HydrophobicContact CG2-CB 3.98Å; I198-L225 HydrophobicContact CG2-CD1 4.42Å; V199-L225 PolarHBondContact O-N 3.14Å; Y200-L225 HydrophobicContact CG-CD2 4.22Å
226S94.3Very high93.2Very high25 Ų2533.8 Ų33.818%0.17518%0.176CC..EExtended strand (participates in β ladder)trans-76.1130-175.2-57.80000111.6R26 I27 E204 M224R26-S226 WeakPolarHBondContact CB-OG 3.5Å; I27-S226 WeakPolarHBondContact O-CB 3.21Å; I27-S226 PolarHBondContact O-N 3.36Å; I27-S226 PolarHBondContact O-OG 3Å; E204-S226 WeakPolarHBondContact OE1-CA 3.36Å; M224-S226 PolarHBondContact O-N 3.19Å
227G92.4Very high92.9Very high15 Ų1530.5 Ų30.516%0.15517%0.167CC..THydrogen-bonded Turntrans94-10.2-178.900000114.4E204 V231E204-G227 PolarHBondContact OE1-N 3.18Å; G227-V231 VanDerWaalsContact CA-CG2 3.4Å; G227-V231 WeakPolarHBondContact O-CG2 3.5Å; G227-V231 PolarHBondContact O-N 3.27Å; G227-V231 VanDerWaalsContact O-N 3.16Å
228G94.2Very high92.6Very high0 Ų033.2 Ų33.20%018%0.181CC..Hα-helixtrans55.7-159.2-178.300000113.6D201 K230 V231 A232D201-G228 CarbonylContact O-C 3.6Å; D201-G228 WeakPolarHBondContact O-CA 3.43Å; G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 3.38Å; G228-V231 PolarHBondContact O-N 3.05Å; G228-A232 PolarHBondContact O-N 2.95Å
229L93.4Very high92.3Very high0 Ų032.4 Ų32.40%017%0.173CC..Hα-helixtrans-64-31.3178.9-163.264.7000112.2C162 I164 Y200 D201 E202 V231 A232 W233 I241C162-L229 WeakPolarHBondContact SG-CD2 3.42Å; I164-L229 HydrophobicContact CG1-CD1 3.81Å; Y200-L229 HydrophobicContact CE2-CD1 4.42Å; D201-L229 PolarHBondContact O-N 2.99Å; E202-L229 PolarHBondContact O-N 3.2Å; E202-L229 VanDerWaalsContact O-N 3.16Å; L229-V231 PolarHBondContact O-N 3.45Å; L229-A232 HydrophobicContact CD1-CB 4.45Å; L229-A232 WeakPolarHBondContact O-CB 3.05Å; L229-A232 PolarHBondContact O-N 3.44Å; L229-W233 VanDerWaalsContact O-CD1 3.29Å; L229-W233 PolarHBondContact O-N 2.75Å; L229-I241 HydrophobicContact CD1-CD1 3.74Å; L229-I241 HydrophobicContact CD1-CG1 3.88Å; L229-I241 HydrophobicContact CD1-CG2 4.06Å; L229-I241 HydrophobicContact CG-CD1 4.44Å
230K92.1Very high92.2Very high78 Ų7832.4 Ų32.434%0.33917%0.173SC..Hα-helixtrans-60.8-44.4178.7-176.9175.4-176.3171.60112.8E202 D203 G228 K234E202-K230 VanDerWaalsContact O-CB 3.26Å; E202-K230 WeakPolarHBondContact O-CB 3.45Å; E202-K230 PolarHBondContact O-N 3.34Å; D203-K230 HydrophobicContact CB-CD 4.49Å; G228-K230 VanDerWaalsContact C-N 3.26Å; G228-K230 PolarHBondContact O-N 3.38Å; K230-K234 PolarHBondContact O-N 3.29Å
231V92.2Very high92.2Very high48 Ų4829.3 Ų29.329%0.29115%0.15SC..Hα-helixtrans-74.7-33.2175.4175.80000110.7I29 G227 G228 L229 W233 K234 L235I29-V231 HydrophobicContact CG1-CB 4.29Å; I29-V231 HydrophobicContact CG1-CG1 3.96Å; G227-V231 VanDerWaalsContact CA-CG2 3.4Å; G227-V231 WeakPolarHBondContact O-CG2 3.5Å; G227-V231 PolarHBondContact O-N 3.27Å; G227-V231 VanDerWaalsContact O-N 3.16Å; G228-V231 PolarHBondContact O-N 3.05Å; L229-V231 PolarHBondContact O-N 3.45Å; V231-W233 PolarHBondContact O-N 3.13Å; V231-K234 PolarHBondContact O-N 3.18Å; V231-L235 HydrophobicContact CG1-CD1 3.65Å; V231-L235 HydrophobicContact CG1-CG 3.93Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 2.83Å
232A92.8Very high92Very high0 Ų028.7 Ų28.70%015%0.147CC..Hα-helixtrans-57.2-49173.600000111.8I29 G228 L229 K234 L235 F236 L240 I241I29-A232 HydrophobicContact CD1-CB 4.07Å; I29-A232 HydrophobicContact CG1-CB 4.49Å; I29-A232 HydrophobicContact CG2-CB 4.37Å; G228-A232 PolarHBondContact O-N 2.95Å; L229-A232 HydrophobicContact CD1-CB 4.45Å; L229-A232 WeakPolarHBondContact O-CB 3.05Å; L229-A232 PolarHBondContact O-N 3.44Å; A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 2.97Å; A232-L235 PolarHBondContact O-N 2.97Å; A232-F236 CarbonylContact O-C 3.33Å; A232-F236 WeakPolarHBondContact O-CA 3.46Å; A232-F236 PolarHBondContact O-N 3.32Å; A232-L240 HydrophobicContact CB-CD2 3.95Å; A232-I241 HydrophobicContact CB-CD1 3.81Å; A232-I241 HydrophobicContact CB-CG1 4.4Å
233W90.3Very high91.5Very high29 Ų2929.8 Ų29.811%0.1116%0.159CC..Hα-helixtrans-59.9-37.6175.3-85.1113.7000113.3L229 V231 I241 M245 I249L229-W233 VanDerWaalsContact O-CD1 3.29Å; L229-W233 PolarHBondContact O-N 2.75Å; V231-W233 PolarHBondContact O-N 3.13Å; W233-I241 HydrophobicContact CB-CD1 4.24Å; W233-I241 HydrophobicContact CD2-CD1 3.47Å; W233-I241 VanDerWaalsContact CD2-CD1 3.47Å; W233-I241 HydrophobicContact CE3-CD1 4.03Å; W233-I241 HydrophobicContact CG-CD1 3.56Å; W233-I241 HydrophobicContact CH2-CB 4.26Å; W233-I241 HydrophobicContact CH2-CG2 4Å; W233-I241 HydrophobicContact CZ2-CB 4.05Å; W233-I241 HydrophobicContact CZ2-CD1 4.21Å; W233-I241 HydrophobicContact CZ2-CG2 3.38Å; W233-M245 HydrophobicContact CD2-CB 4.18Å; W233-M245 HydrophobicContact CD2-CG 4Å; W233-M245 HydrophobicContact CD2-SD 4.3Å; W233-M245 HydrophobicContact CE3-CB 4.3Å; W233-M245 HydrophobicContact CE3-CG 4.4Å; W233-M245 HydrophobicContact CE3-SD 4.38Å; W233-M245 HydrophobicContact CG-CG 4.3Å; W233-M245 HydrophobicContact CG-SD 4.44Å; W233-M245 HydrophobicContact CH2-CB 3.99Å; W233-M245 HydrophobicContact CZ2-CB 3.81Å; W233-M245 HydrophobicContact CZ2-CG 4.42Å; W233-M245 HydrophobicContact CZ3-CB 4.23Å; W233-I249 HydrophobicContact CB-CG2 4.03Å; W233-I249 VanDerWaalsContact CD1-CD1 3.48Å; W233-I249 HydrophobicContact CG-CD1 4.49Å; W233-I249 HydrophobicContact CG-CG2 4.2Å
234K89.7Confident90.8Very high134 Ų13436.8 Ų36.858%0.58319%0.191SC*.Hα-helixtrans-67.9-43.6179.4-172-176.2174.4-167.40112.2K230 V231 A232 L253K230-K234 PolarHBondContact O-N 3.29Å; V231-K234 PolarHBondContact O-N 3.18Å; A232-K234 VanDerWaalsContact C-N 3.3Å; A232-K234 PolarHBondContact O-N 2.97Å; K234-L253 HydrophobicContact CB-CD2 3.91Å; K234-L253 HydrophobicContact CD-CD2 4.43Å; K234-L253 HydrophobicContact CG-CD2 4.06Å
235L90.4Very high90Very high19 Ų1940.4 Ų40.410%0.09921%0.209CC..Hα-helixtrans-91.2-37.5-171.4-60.4-173.8000112.9I29 P30 V231 A232 T330 V335I29-L235 HydrophobicContact CB-CD1 4.42Å; P30-L235 HydrophobicContact CG-CD1 3.95Å; V231-L235 HydrophobicContact CG1-CD1 3.65Å; V231-L235 HydrophobicContact CG1-CG 3.93Å; V231-L235 WeakPolarHBondContact O-CG 3.32Å; V231-L235 PolarHBondContact O-N 2.83Å; A232-L235 PolarHBondContact O-N 2.97Å; L235-T330 VanDerWaalsContact O-CG2 3.3Å; L235-T330 WeakPolarHBondContact O-CG2 3.04Å; L235-V335 HydrophobicContact CB-CG1 4.34Å; L235-V335 HydrophobicContact CD1-CG1 3.84Å; L235-V335 HydrophobicContact CD2-CG1 3.52Å; L235-V335 HydrophobicContact CG-CG1 4.07Å
236F91.3Very high89.1Confident0 Ų041.9 Ų41.90%022%0.219CC..  trans-132.170.6-175.7-63.2-84.4000110.2I29 P30 V33 A232 K238 L240 L327 T330 I331 V335I29-F236 HydrophobicContact CG2-CD2 3.63Å; I29-F236 HydrophobicContact CG2-CE2 3.89Å; P30-F236 HydrophobicContact CB-CE2 4.36Å; P30-F236 HydrophobicContact CB-CZ 4.44Å; P30-F236 HydrophobicContact CG-CE2 4.19Å; V33-F236 HydrophobicContact CB-CE1 4.31Å; V33-F236 HydrophobicContact CB-CE2 4.36Å; V33-F236 HydrophobicContact CB-CZ 4.04Å; V33-F236 HydrophobicContact CG1-CD1 4.45Å; V33-F236 HydrophobicContact CG1-CE1 3.94Å; V33-F236 HydrophobicContact CG1-CZ 4.15Å; V33-F236 HydrophobicContact CG2-CD1 4.24Å; V33-F236 HydrophobicContact CG2-CD2 3.89Å; V33-F236 HydrophobicContact CG2-CE1 4.09Å; V33-F236 HydrophobicContact CG2-CE2 3.72Å; V33-F236 HydrophobicContact CG2-CG 4.15Å; V33-F236 HydrophobicContact CG2-CZ 3.83Å; A232-F236 CarbonylContact O-C 3.33Å; A232-F236 WeakPolarHBondContact O-CA 3.46Å; A232-F236 PolarHBondContact O-N 3.32Å; F236-K238 PolarHBondContact O-N 3.33Å; F236-K238 VanDerWaalsContact O-N 3.16Å; F236-L240 HydrophobicContact CB-CB 3.86Å; F236-L240 HydrophobicContact CB-CD2 3.75Å; F236-L240 HydrophobicContact CB-CG 4.47Å; F236-L240 HydrophobicContact CD2-CD2 4.15Å; F236-L240 HydrophobicContact CG-CD2 4.17Å; F236-L327 HydrophobicContact CB-CD2 4.33Å; F236-L327 HydrophobicContact CD1-CD2 3.77Å; F236-L327 HydrophobicContact CE1-CD2 4.46Å; F236-L327 HydrophobicContact CG-CD2 4.27Å; F236-T330 HydrophobicContact CD1-CG2 3.51Å; F236-T330 HydrophobicContact CE1-CG2 3.56Å; F236-T330 HydrophobicContact CG-CG2 4.37Å; F236-T330 HydrophobicContact CZ-CG2 4.45Å; F236-I331 HydrophobicContact CE1-CG1 3.85Å; F236-I331 HydrophobicContact CZ-CD1 4.47Å; F236-I331 HydrophobicContact CZ-CG1 3.88Å; F236-V335 HydrophobicContact CZ-CG2 4.17Å
237P86.4Confident88.2Confident75 Ų7546.6 Ų46.649%0.48724%0.242SC..SBendtrans-68-12-178.927.9-36.1000113.9
238K88.3Confident87.3Confident138 Ų13848.9 Ų48.960%0.626%0.255SS*.SBendtrans-131.4139.5178.5-63.9-171.9177.4-170.10110.1F236 L240 H326F236-K238 PolarHBondContact O-N 3.33Å; F236-K238 VanDerWaalsContact O-N 3.16Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 2.87Å; K238-H326 HydrophobicContact CB-CB 4.35Å
239G88.4Confident86.3Confident9 Ų949 Ų499%0.09326%0.256CS..SBendtrans79-0.1172.400000116.1I165 L327I165-G239 WeakPolarHBondContact CD1-O 3.09Å; G239-L327 WeakPolarHBondContact O-CD1 3.26Å
240L92.6Very high85.5Confident0 Ų049.5 Ų49.50%026%0.259CS..SBendtrans-108.5-32.8175.1-171.857.9000113.3I29 F32 V33 I36 I164 I165 A232 F236 K238 F319 L327I29-L240 HydrophobicContact CG2-CD2 3.73Å; F32-L240 HydrophobicContact CD1-CD1 4.45Å; F32-L240 HydrophobicContact CE1-CD1 4.18Å; V33-L240 HydrophobicContact CG2-CD1 4.09Å; V33-L240 HydrophobicContact CG2-CD2 4.06Å; I36-L240 HydrophobicContact CD1-CD1 4.08Å; I164-L240 WeakPolarHBondContact CA-O 3.22Å; I164-L240 HydrophobicContact CG2-CD1 3.92Å; I164-L240 HydrophobicContact CG2-CG 4.24Å; I164-L240 WeakPolarHBondContact CG2-O 3.33Å; I165-L240 PolarHBondContact N-O 3.44Å; A232-L240 HydrophobicContact CB-CD2 3.95Å; F236-L240 HydrophobicContact CB-CB 3.86Å; F236-L240 HydrophobicContact CB-CD2 3.75Å; F236-L240 HydrophobicContact CB-CG 4.47Å; F236-L240 HydrophobicContact CD2-CD2 4.15Å; F236-L240 HydrophobicContact CG-CD2 4.17Å; K238-L240 VanDerWaalsContact C-N 3.31Å; K238-L240 PolarHBondContact O-N 2.87Å; L240-F319 HydrophobicContact CD1-CE1 4.4Å; L240-F319 HydrophobicContact CD1-CZ 4.44Å; L240-L327 HydrophobicContact CB-CD2 3.91Å; L240-L327 HydrophobicContact CD1-CD2 4.41Å
241I91.4Very high84.7Confident21 Ų2152.6 Ų52.611%0.10827%0.27CS..EExtended strand (participates in β ladder)trans-122136.9-166.4-57.2168.4000108.9C162 H163 L229 A232 W233C162-I241 HydrophobicContact CB-CG2 4.32Å; H163-I241 CarbonylContact O-C 3.54Å; H163-I241 WeakPolarHBondContact O-CA 3.26Å; H163-I241 WeakPolarHBondContact O-CG2 3.16Å; L229-I241 HydrophobicContact CD1-CD1 3.74Å; L229-I241 HydrophobicContact CD1-CG1 3.88Å; L229-I241 HydrophobicContact CD1-CG2 4.06Å; L229-I241 HydrophobicContact CG-CD1 4.44Å; A232-I241 HydrophobicContact CB-CD1 3.81Å; A232-I241 HydrophobicContact CB-CG1 4.4Å; W233-I241 HydrophobicContact CB-CD1 4.24Å; W233-I241 HydrophobicContact CD2-CD1 3.47Å; W233-I241 VanDerWaalsContact CD2-CD1 3.47Å; W233-I241 HydrophobicContact CE3-CD1 4.03Å; W233-I241 HydrophobicContact CG-CD1 3.56Å; W233-I241 HydrophobicContact CH2-CB 4.26Å; W233-I241 HydrophobicContact CH2-CG2 4Å; W233-I241 HydrophobicContact CZ2-CB 4.05Å; W233-I241 HydrophobicContact CZ2-CD1 4.21Å; W233-I241 HydrophobicContact CZ2-CG2 3.38Å
242I88.5Confident83.8Confident3 Ų351.3 Ų51.32%0.01526%0.264CS..EExtended strand (participates in β ladder)trans-99.3148169.1-60.4163000108.7C162 H163 I165 Y304 G308 E317C162-I242 CarbonylContact C-O 3.56Å; C162-I242 WeakPolarHBondContact CA-O 3.49Å; C162-I242 VanDerWaalsContact CB-O 3.27Å; C162-I242 WeakPolarHBondContact CB-O 3.36Å; H163-I242 PolarHBondContact N-O 3.11Å; H163-I242 PolarHBondContact O-N 2.84Å; I165-I242 HydrophobicContact CB-CD1 4.18Å; I165-I242 HydrophobicContact CB-CG1 4.49Å; I165-I242 HydrophobicContact CD1-CG1 4.42Å; I165-I242 HydrophobicContact CG1-CD1 3.65Å; I165-I242 HydrophobicContact CG1-CG1 3.48Å; I165-I242 VanDerWaalsContact CG1-CG1 3.48Å; I165-I242 HydrophobicContact CG2-CD1 4.29Å; I242-Y304 HydrophobicContact CG2-CE1 4.08Å; I242-G308 WeakPolarHBondContact CG2-O 3.28Å; I242-E317 HydrophobicContact CD1-CB 4.11Å; I242-E317 HydrophobicContact CD1-CG 4.2Å
243G84.9Confident82.9Confident24 Ų2454.2 Ų54.225%0.24728%0.279CS..EExtended strand (participates in β ladder)trans96.6-179177.900000113.5A161A161-G243 WeakPolarHBondContact O-CA 3.14Å
244E79.9Confident81.9Confident154 Ų15460 Ų6072%0.7231%0.305SS*.PPolyproline II helixtrans-90.2140.8-178.6-65-167160.900110.7A161 C162 P246A161-E244 PolarHBondContact O-N 3.13Å; C162-E244 WeakPolarHBondContact CB-O 3.4Å; E244-P246 VanDerWaalsContact O-CD 3.26Å; E244-P246 WeakPolarHBondContact O-CD 3.49Å
245M79.2Confident80.4Confident76 Ų7659.7 Ų59.737%0.37431%0.309SS..PPolyproline II helixtrans-63.9122179.1-178.617854.100110.2W233 I249 L253W233-M245 HydrophobicContact CD2-CB 4.18Å; W233-M245 HydrophobicContact CD2-CG 4Å; W233-M245 HydrophobicContact CD2-SD 4.3Å; W233-M245 HydrophobicContact CE3-CB 4.3Å; W233-M245 HydrophobicContact CE3-CG 4.4Å; W233-M245 HydrophobicContact CE3-SD 4.38Å; W233-M245 HydrophobicContact CG-CG 4.3Å; W233-M245 HydrophobicContact CG-SD 4.44Å; W233-M245 HydrophobicContact CH2-CB 3.99Å; W233-M245 HydrophobicContact CZ2-CB 3.81Å; W233-M245 HydrophobicContact CZ2-CG 4.42Å; W233-M245 HydrophobicContact CZ3-CB 4.23Å; M245-I249 HydrophobicContact CG-CB 4.06Å; M245-I249 HydrophobicContact CG-CG2 4.15Å; M245-I249 HydrophobicContact SD-CB 4.42Å; M245-I249 HydrophobicContact SD-CG2 4.01Å; M245-L253 HydrophobicContact SD-CD1 3.96Å
246P78Confident78.7Confident31 Ų3166.8 Ų66.820%0.20134%0.342CS..PPolyproline II helixtrans-57.4144.4177-25.734.3000111.6C162 E244 S248 I249 S250C162-P246 WeakPolarHBondContact SG-CD 3.12Å; C162-P246 WeakPolarHBondContact SG-CG 3.49Å; E244-P246 VanDerWaalsContact O-CD 3.26Å; E244-P246 WeakPolarHBondContact O-CD 3.49Å; P246-S248 PolarHBondContact O-N 3.47Å; P246-I249 HydrophobicContact CB-CG1 4.38Å; P246-I249 HydrophobicContact CG-CD1 4.19Å; P246-I249 PolarHBondContact O-N 3.32Å; P246-I249 VanDerWaalsContact O-N 3.12Å; P246-S250 PolarHBondContact O-N 2.91Å; P246-S250 VanDerWaalsContact O-N 3.1Å
247L75.9Confident76.6Confident125 Ų12570 Ų7065%0.65438%0.375SS*.Hα-helixtrans-56.8-36.5178.9-67.3176.1000111.4I249 S250 Y251L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 PolarHBondContact O-N 3.29Å; L247-S250 WeakPolarHBondContact O-CB 3.1Å; L247-S250 PolarHBondContact O-N 2.74Å; L247-S250 VanDerWaalsContact O-N 3.15Å; L247-S250 PolarHBondContact O-OG 3Å; L247-Y251 HydrophobicContact CB-CD2 4.35Å; L247-Y251 HydrophobicContact CB-CE2 4.11Å; L247-Y251 WeakPolarHBondContact O-CD2 3.37Å; L247-Y251 PolarHBondContact O-N 3.12Å
248S73.6Confident74.5Confident63 Ų6375.2 Ų75.244%0.44139%0.39SS..Hα-helixtrans-51.3-49.3175.855.70000112.4E202 P246 A252E202-S248 PolarHBondContact OE1-OG 3.24Å; P246-S248 PolarHBondContact O-N 3.47Å; S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3.1Å; S248-A252 VanDerWaalsContact O-N 3.16Å
249I73.8Confident72.1Confident1 Ų174.6 Ų74.61%0.00540%0.398CS..Hα-helixtrans-69.4-43.2179.7-56.1-175.1000109.7E202 W233 M245 P246 L247 Y251 A252 L253E202-I249 HydrophobicContact CG-CD1 4Å; E202-I249 HydrophobicContact CG-CG1 4.29Å; E202-I249 WeakPolarHBondContact OE1-CG1 3.45Å; W233-I249 HydrophobicContact CB-CG2 4.03Å; W233-I249 VanDerWaalsContact CD1-CD1 3.48Å; W233-I249 HydrophobicContact CG-CD1 4.49Å; W233-I249 HydrophobicContact CG-CG2 4.2Å; M245-I249 HydrophobicContact CG-CB 4.06Å; M245-I249 HydrophobicContact CG-CG2 4.15Å; M245-I249 HydrophobicContact SD-CB 4.42Å; M245-I249 HydrophobicContact SD-CG2 4.01Å; P246-I249 HydrophobicContact CB-CG1 4.38Å; P246-I249 HydrophobicContact CG-CD1 4.19Å; P246-I249 PolarHBondContact O-N 3.32Å; P246-I249 VanDerWaalsContact O-N 3.12Å; L247-I249 VanDerWaalsContact C-N 3.34Å; L247-I249 PolarHBondContact O-N 3.29Å; I249-Y251 VanDerWaalsContact C-N 3.31Å; I249-Y251 PolarHBondContact O-N 2.93Å; I249-A252 PolarHBondContact O-N 2.76Å; I249-A252 VanDerWaalsContact O-N 3.17Å; I249-L253 HydrophobicContact CG2-CD1 3.88Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 2.87Å
250S75.9Confident69.8Low11 Ų1186 Ų868%0.07744%0.438CS..Hα-helixtrans-57.4-42.8179.688.80000112.5P246 L247 K254P246-S250 PolarHBondContact O-N 2.91Å; P246-S250 VanDerWaalsContact O-N 3.1Å; L247-S250 WeakPolarHBondContact O-CB 3.1Å; L247-S250 PolarHBondContact O-N 2.74Å; L247-S250 VanDerWaalsContact O-N 3.15Å; L247-S250 PolarHBondContact O-OG 3Å; S250-K254 VanDerWaalsContact O-CG 3.26Å; S250-K254 WeakPolarHBondContact O-CG 3.21Å; S250-K254 PolarHBondContact O-N 3.48Å
251Y74.3Confident67.6Low144 Ų14493.1 Ų93.157%0.56548%0.475SS*.Hα-helixtrans-69.8-42.6177.5-74.5-66.4000111.3L247 I249 L253 K254 L255L247-Y251 HydrophobicContact CB-CD2 4.35Å; L247-Y251 HydrophobicContact CB-CE2 4.11Å; L247-Y251 WeakPolarHBondContact O-CD2 3.37Å; L247-Y251 PolarHBondContact O-N 3.12Å; I249-Y251 VanDerWaalsContact C-N 3.31Å; I249-Y251 PolarHBondContact O-N 2.93Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.47Å; Y251-K254 PolarHBondContact O-N 3.48Å; Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.06Å; Y251-L255 VanDerWaalsContact O-N 3.11Å
252A74.5Confident65.1Low20 Ų2097.2 Ų97.217%0.16551%0.505CS..Hα-helixtrans-62.8-37.1179.300000112.9S248 I249 H256S248-A252 WeakPolarHBondContact O-CB 3.41Å; S248-A252 PolarHBondContact O-N 3.1Å; S248-A252 VanDerWaalsContact O-N 3.16Å; I249-A252 PolarHBondContact O-N 2.76Å; I249-A252 VanDerWaalsContact O-N 3.17Å; A252-H256 PolarHBondContact O-ND1 3.37Å
253L72.7Confident63.1Low61 Ų61102.2 Ų102.232%0.31954%0.54SS..Hα-helixtrans-70.3-39.2175.9-67178000111.8K234 M245 I249 Y251 L255K234-L253 HydrophobicContact CB-CD2 3.91Å; K234-L253 HydrophobicContact CD-CD2 4.43Å; K234-L253 HydrophobicContact CG-CD2 4.06Å; M245-L253 HydrophobicContact SD-CD1 3.96Å; I249-L253 HydrophobicContact CG2-CD1 3.88Å; I249-L253 HydrophobicContact CG2-CG 4.15Å; I249-L253 WeakPolarHBondContact O-CG 3.43Å; I249-L253 PolarHBondContact O-N 2.87Å; Y251-L253 VanDerWaalsContact C-N 3.32Å; Y251-L253 PolarHBondContact O-N 3.47Å; L253-L255 PolarHBondContact O-N 3.19Å
254K69.2Low61Low150 Ų150111.8 Ų111.865%0.65257%0.569SS**Hα-helixtrans-66.3-33.3178-73.9170.9-175.2173.60113.3S250 Y251 H256 G257S250-K254 VanDerWaalsContact O-CG 3.26Å; S250-K254 WeakPolarHBondContact O-CG 3.21Å; S250-K254 PolarHBondContact O-N 3.48Å; Y251-K254 PolarHBondContact O-N 3.48Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 3.03Å; K254-G257 PolarHBondContact O-N 3.32Å
255L59.3Low59.2Low129 Ų129110.4 Ų110.468%0.67557%0.573SS**Hα-helixtrans-70.1-23.1-176.5-74.4169.3000114.1Y251 L253 G257Y251-L255 WeakPolarHBondContact O-CG 3.39Å; Y251-L255 PolarHBondContact O-N 3.06Å; Y251-L255 VanDerWaalsContact O-N 3.11Å; L253-L255 PolarHBondContact O-N 3.19Å; L255-G257 PolarHBondContact O-N 2.97Å
256H54.4Low57.6Low167 Ų167112.2 Ų112.277%0.77359%0.593SS**THydrogen-bonded Turntrans-78.8-2.3-178.6-75.875.8000114.2A252 K254A252-H256 PolarHBondContact O-ND1 3.37Å; K254-H256 VanDerWaalsContact C-N 3.31Å; K254-H256 PolarHBondContact O-N 3.03Å
257G47.2Very low55.7Low68 Ų68115.3 Ų115.370%0.70162%0.616SS**THydrogen-bonded Turntrans-91-5.2175.800000115.6K254 L255K254-G257 PolarHBondContact O-N 3.32Å; L255-G257 PolarHBondContact O-N 2.97Å
258K41.8Very low54.4Low185 Ų185118.4 Ų118.480%0.80463%0.626SS**SBendtrans-103101.1174.6-80.4175.3174.61750109.3R260K258-R260 PolarHBondContact O-N 2.75Å
259T38.9Very low53.1Low125 Ų125124.8 Ų124.877%0.76765%0.649SS**  trans-41.9125167.736.40000110.3I261T259-I261 VanDerWaalsContact C-N 3.31Å; T259-I261 PolarHBondContact O-N 3.15Å
260R40Very low51.3Low249 Ų249127.9 Ų127.994%0.9468%0.681SS**  trans-59.396.4166.8-76-178.4-179.9-179.2-0.4107.5K258 S262K258-R260 PolarHBondContact O-N 2.75Å; R260-S262 VanDerWaalsContact C-N 3.31Å; R260-S262 PolarHBondContact O-N 3.12Å
261I45.2Very low49.6Very low149 Ų149132.6 Ų132.676%0.76471%0.714SS**  trans-65.5103.9159.4-62.3174.3000104.9T259 S263T259-I261 VanDerWaalsContact C-N 3.31Å; T259-I261 PolarHBondContact O-N 3.15Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.18Å
262S40.8Very low48Very low107 Ų107132.2 Ų132.275%0.74872%0.721SS**  trans-58.190169151.70000109R260 R264R260-S262 VanDerWaalsContact C-N 3.31Å; R260-S262 PolarHBondContact O-N 3.12Å; S262-R264 PolarHBondContact O-N 3.1Å
263S46.1Very low46.2Very low107 Ų107141.4 Ų141.475%0.74875%0.753SS**  trans-84.591.3164.756.70000108.6I261I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 PolarHBondContact O-N 3.18Å
264R41.3Very low44.5Very low226 Ų226146.2 Ų146.285%0.85378%0.778SS**  trans-67.2123.5168.2-161.6178.4-168.9-172.82.6107.6S262 S266S262-R264 PolarHBondContact O-N 3.1Å; R264-S266 PolarHBondContact O-N 2.86Å
265P40.2Very low43.4Very low124 Ų124144.4 Ų144.481%0.80579%0.785SS**  trans-79.4112.5-178.429.8-29.5000109.2
266S47Very low42.6Very low114 Ų114147.3 Ų147.380%0.79780%0.795SS**  trans-84.8120.4165.851.70000109.2R264R264-S266 PolarHBondContact O-N 2.86Å
267S38.2Very low41.9Very low97 Ų97147 Ų14768%0.67880%0.797SS**  trans-43.5128.2169.648.80000113.7
268H48.2Very low41.4Very low189 Ų189150.6 Ų150.688%0.87580%0.801SS**  trans-159.8142137.2-84.9-37.2000111.3
269Q45.5Very low41.5Very low198 Ų198149.8 Ų149.893%0.92580%0.799SS**  trans-75.9160.2-170-68.2160.2-33.400113.2
270G36Very low41.5Very low65 Ų65150 Ų15067%0.6780%0.796SS**  trans129.978.5166.800000111.1
271S41Very low41.4Very low110 Ų110142.3 Ų142.377%0.76978%0.78SS**  72.4127.886.879.30000114.9
272I40Very low41.1Very low137 Ų137143.6 Ų143.670%0.70378%0.781SS**  trans73.8103.6155-18.4-173.8000118.6
273Y36.8Very low41Very low213 Ų213145.1 Ų145.184%0.83578%0.779SS**  172.612799.7-111.9-85.3000111.5
274N38.1Very low40.4Very low161 Ų161144.8 Ų144.886%0.86178%0.777SS**  trans-70.2139.9163.4-81.1-29.1000109.9
275S45.6Very low40.3Very low113 Ų113141.8 Ų141.879%0.7978%0.778SS**  trans-155.6125.9145.438.50000110.9
276Q42.8Very low40.1Very low190 Ų190142 Ų14289%0.88878%0.782SS**  trans-62.4137.2170-66.3158.7-50.900109.4
277I39.9Very low39.8Very low159 Ų159140.9 Ų140.982%0.81578%0.775SS**  trans-124.2115155.8-64.3179.2000107.7
278N35.9Very low39.7Very low145 Ų145143.4 Ų143.478%0.77579%0.786SS**  trans-113.4110177.4-173.724.2000104.8
279Q44.7Very low39.3Very low167 Ų167140.8 Ų140.878%0.7878%0.777SS**  trans-154.1105.9166.3-71.3-155.214.600107.6
280N39.1Very low39Very low129 Ų129136.9 Ų136.969%0.6977%0.771SS**  83.5114.587.5-76.8-10.5000113
281S36.7Very low39.2Very low88 Ų88140.7 Ų140.762%0.61578%0.776SS**  trans-22.2143.2147.449.60000114.9
282F38.9Very low38.9Very low176 Ų176141.1 Ų141.177%0.77278%0.776SS**  -177.9124.5126.6-87-60.3000111.1
283I38.5Very low38.9Very low140 Ų140142.7 Ų142.772%0.71879%0.785SS**  trans69.4116.6132.7-58.5159.2000119.8
284S34.4Very low38.8Very low100 Ų100140 Ų14070%0.69979%0.785SS**  trans-14.5137.7149.7-39.30000117.4
285N38Very low38.9Very low162 Ų162143.7 Ų143.787%0.86679%0.787SS**  trans-154.2107.4138.3-90.3-26.1000109.7
286S36.8Very low38.4Very low129 Ų129150 Ų15090%0.90279%0.793SS**  trans-72.5122.1160.2-640000108.5
287S41.6Very low38.2Very low91 Ų91146.2 Ų146.264%0.63679%0.788SS**  trans-152.5105.3156.551.70000108.9I289S287-I289 PolarHBondContact O-N 2.92Å
288T36.1Very low37.9Very low150 Ų150145.7 Ų145.792%0.9279%0.787SS**  trans-47.5114159.425.40000110.5
289I39.7Very low38Very low134 Ų134146.4 Ų146.469%0.68779%0.79SS**  trans-129.997.1164.4-64.5179000107.1S287 L291S287-I289 PolarHBondContact O-N 2.92Å; I289-L291 HydrophobicContact CG2-CD2 4.25Å; I289-L291 HydrophobicContact CG2-CG 4.33Å
290S37.6Very low37.8Very low115 Ų115146 Ų14680%0.80479%0.792SS**PPolyproline II helixtrans-71.7116.4162.747.80000108.8
291L40.9Very low37.5Very low145 Ų145145 Ų14576%0.75979%0.793SS**PPolyproline II helixtrans-92.3125.8170.4-70.7170.1000109.3I289I289-L291 HydrophobicContact CG2-CD2 4.25Å; I289-L291 HydrophobicContact CG2-CG 4.33Å
292P34.4Very low37.7Very low119 Ų119148.2 Ų148.277%0.77380%0.802SS**PPolyproline II helixtrans-84.5124.8168.431.8-26.6000109.1
293L40.9Very low37.8Very low170 Ų170145.2 Ų145.289%0.8979%0.793SS**  trans-10590.6169.2-128.380000109.4R295L293-R295 PolarHBondContact O-N 3.17Å
294D35.2Very low38Very low158 Ų158144.8 Ų144.885%0.84578%0.783SS**  trans-69.2115161.9-109.5-30.1000109.4
295R39.6Very low38.6Very low237 Ų237144.9 Ų144.989%0.89478%0.783SS**  trans-145.8102.5151.6-83.2-161177176.8-1110.9L293 S297L293-R295 PolarHBondContact O-N 3.17Å; R295-S297 PolarHBondContact O-N 2.92Å
296R34.2Very low39.3Very low246 Ų246139.4 Ų139.493%0.92876%0.76SS**  trans-43.4122.8159.2-80.3177.3167-168-3.9111.7
297S39.4Very low39.7Very low110 Ų110139.6 Ų139.677%0.76975%0.75SS**  trans-155.2118.7142.6-1760000108.3R295 N299R295-S297 PolarHBondContact O-N 2.92Å; S297-N299 PolarHBondContact O-N 3.38Å
298N33.9Very low40.1Very low148 Ų148135.4 Ų135.479%0.79172%0.721SS**  trans-55118.3-178.7-57.7-31.3000110.9
299N38.5Very low40.9Very low160 Ų160130.8 Ų130.886%0.85669%0.693SS**  trans-165.9134149.7-87.2-28.6000107.9S297S297-N299 PolarHBondContact O-N 3.38Å
300I39.3Very low41.9Very low159 Ų159126.6 Ų126.682%0.81567%0.669SS**  trans-50.5135-170.5-61.9158.8000111.4L302I300-L302 PolarHBondContact O-N 3.44Å
301P33.2Very low42.4Very low109 Ų109124.6 Ų124.671%0.70865%0.649SS**  trans-77.5109.5177.331.5-28.5000108.5I303P301-I303 PolarHBondContact O-N 3.16Å
302L41.1Very low43.1Very low154 Ų154120.6 Ų120.681%0.80663%0.628SS**  trans-75109.1157.5-88.6164.6000106.7I300I300-L302 PolarHBondContact O-N 3.44Å
303I41Very low43.8Very low114 Ų114123.3 Ų123.359%0.58564%0.635SS**  trans-61.1133.5179-63.4168.5000107.8P301 C305 D311P301-I303 PolarHBondContact O-N 3.16Å; I303-C305 VanDerWaalsContact CG2-SG 3.52Å; I303-D311 VanDerWaalsContact C-OD2 3.25Å; I303-D311 VanDerWaalsContact CG2-OD2 3.24Å; I303-D311 WeakPolarHBondContact CG2-OD2 3.16Å; I303-D311 VanDerWaalsContact O-CG 3.3Å
304Y41.6Very low44.1Very low130 Ų130121.9 Ų121.951%0.5163%0.629SS.*  trans-112.1105.4167.8-82.5-93.1000105.1I242 A306 T309 R310I242-Y304 HydrophobicContact CG2-CE1 4.08Å; Y304-A306 VanDerWaalsContact C-N 3.31Å; Y304-T309 WeakPolarHBondContact CD1-O 3.45Å; Y304-R310 HydrophobicContact CE1-CG 4.09Å
305C47.6Very low44.9Very low102 Ų102117.4 Ų117.469%0.68962%0.619SS**SBendtrans-79.7-11-177.8-72.70000113.5I303 D311I303-C305 VanDerWaalsContact CG2-SG 3.52Å; C305-D311 VanDerWaalsContact CB-OD1 3.24Å; C305-D311 WeakPolarHBondContact CB-OD1 3.35Å; C305-D311 PolarHBondContact N-OD1 2.63Å; C305-D311 PolarHBondContact SG-OD2 3.11Å
306A52.6Low45.8Very low48 Ų48109.4 Ų109.440%0.39760%0.599SS.*BIsolated β-bridgetrans-146.7150.8161.700000109.9Y304 G308 T309Y304-A306 VanDerWaalsContact C-N 3.31Å; A306-G308 PolarHBondContact O-N 3.21Å; A306-G308 VanDerWaalsContact O-N 3.17Å; A306-T309 PolarHBondContact O-N 2.82Å; A306-T309 PolarHBondContact O-OG1 2.75Å
307L46.4Very low47.8Very low133 Ų13399 Ų9970%0.69656%0.561SS**THydrogen-bonded Turntrans-56.4122.9169.3-69.3168.2000107.8D160D160-L307 CarbonylContact O-C 3.58Å; D160-L307 VanDerWaalsContact O-O 3.08Å
308G49.4Very low49.9Very low2 Ų2100 Ų1002%0.02155%0.554CS.*THydrogen-bonded Turntrans97.8-20178.200000115.9D160 H163 I242 A306 E317D160-G308 WeakPolarHBondContact O-CA 3.36Å; D160-G308 PolarHBondContact O-N 2.99Å; D160-G308 VanDerWaalsContact O-N 3.15Å; H163-G308 PolarHBondContact CE1-O 3.01Å; I242-G308 WeakPolarHBondContact CG2-O 3.28Å; A306-G308 PolarHBondContact O-N 3.21Å; A306-G308 VanDerWaalsContact O-N 3.17Å; G308-E317 VanDerWaalsContact O-OE1 3.11Å
309T52.8Low52.5Low54 Ų5494.7 Ų94.733%0.33152%0.524SS..BIsolated β-bridgetrans-108.8132.2-177.362.30000111.9Y304 A306 E317Y304-T309 WeakPolarHBondContact CD1-O 3.45Å; A306-T309 PolarHBondContact O-N 2.82Å; A306-T309 PolarHBondContact O-OG1 2.75Å; T309-E317 WeakPolarHBondContact CA-OE1 3.48Å
310R59.6Low54.9Low46 Ų4690.1 Ų90.117%0.17450%0.499CS..  trans-79.2135.9161.7-95.1162.459.6172.8-47.1108.8Y304 N312 E318 D323Y304-R310 HydrophobicContact CE1-CG 4.09Å; R310-N312 PolarHBondContact O-N 2.66Å; R310-E318 PolarHBondContact NH2-O 3.28Å; R310-D323 IonicContact CZ-OD2 3.62Å; R310-D323 IonicContact NH1-OD1 2.73Å; R310-D323 PolarHBondContact NH1-OD1 2.73Å; R310-D323 VanDerWaalsContact NH1-OD1 3.17Å; R310-D323 IonicContact NH1-OD2 3.22Å; R310-D323 PolarHBondContact NH1-OD2 2.89Å; R310-D323 IonicContact NH2-OD2 2.75Å; R310-D323 PolarHBondContact NH2-OD2 2.75Å
311D49.7Very low57.2Low72 Ų7286.7 Ų86.739%0.38549%0.487SS..  trans-66.650.2-173-66.5-7.4000114.3I303 C305I303-D311 VanDerWaalsContact C-OD2 3.25Å; I303-D311 VanDerWaalsContact CG2-OD2 3.24Å; I303-D311 WeakPolarHBondContact CG2-OD2 3.16Å; I303-D311 VanDerWaalsContact O-CG 3.3Å; C305-D311 VanDerWaalsContact CB-OD1 3.24Å; C305-D311 WeakPolarHBondContact CB-OD1 3.35Å; C305-D311 PolarHBondContact N-OD1 2.63Å; C305-D311 PolarHBondContact SG-OD2 3.11Å
312N54.2Low59.8Low62 Ų6286.8 Ų86.833%0.33248%0.478SS..  trans-76.7126.2167-72.7-8.2000107.6R310 D314 G315 C316R310-N312 PolarHBondContact O-N 2.66Å; N312-D314 PolarHBondContact O-N 3.13Å; N312-G315 PolarHBondContact O-N 2.85Å; N312-C316 PolarHBondContact ND2-O 2.92Å
313L48.9Very low62.2Low176 Ų17680.2 Ų80.292%0.92144%0.443SS*.THydrogen-bonded Turntrans-54.8-22.5-176.3-164.368.3000113.4
314D48.1Very low64.6Low140 Ų14076 Ų7675%0.74942%0.422SS*.THydrogen-bonded Turntrans-95.8-2.7-178.4-59.3-35.9000113.8N312 C316N312-D314 PolarHBondContact O-N 3.13Å; D314-C316 PolarHBondContact O-N 3.1Å
315G52.6Low67Low63 Ų6373.6 Ų73.665%0.64942%0.421SS*.  trans68.96.5-175.800000114.5N312N312-G315 PolarHBondContact O-N 2.85Å
316C57.4Low69.1Low69 Ų6972.3 Ų72.347%0.46640%0.404SS..  trans-85.3117.6177.5-600000110.6N312 D314 E318N312-C316 PolarHBondContact ND2-O 2.92Å; D314-C316 PolarHBondContact O-N 3.1Å; C316-E318 PolarHBondContact O-N 3.49Å; C316-E318 VanDerWaalsContact O-N 3.16Å
317E75.7Confident71Confident28 Ų2870 Ų7013%0.13139%0.385CS..  trans-87.675.2178.1-67.1170.6166.300110.8H163 I165 T166 I242 G308 T309H163-E317 IonicContact CD2-OE2 3.27Å; H163-E317 IonicContact CE1-OE1 3.44Å; H163-E317 IonicContact CE1-OE2 2.68Å; H163-E317 IonicContact NE2-OE1 3.25Å; H163-E317 IonicContact NE2-OE2 3.6Å; H163-E317 PolarHBondContact NE2-OE2 2.82Å; I165-E317 WeakPolarHBondContact CG2-O 3.35Å; T166-E317 WeakPolarHBondContact CG2-O 3.34Å; T166-E317 PolarHBondContact N-O 3.06Å; I242-E317 HydrophobicContact CD1-CB 4.11Å; I242-E317 HydrophobicContact CD1-CG 4.2Å; G308-E317 VanDerWaalsContact O-OE1 3.11Å; T309-E317 WeakPolarHBondContact CA-OE1 3.48Å
318E84.6Confident73.1Confident132 Ų13265.9 Ų65.962%0.61737%0.366SS*.PPolyproline II helixtrans-86.9154.5173.6-63.2-169166.800112.2R310 C316 L320R310-E318 PolarHBondContact NH2-O 3.28Å; C316-E318 PolarHBondContact O-N 3.49Å; C316-E318 VanDerWaalsContact O-N 3.16Å; E318-L320 PolarHBondContact O-N 2.95Å
319F88.5Confident75.1Confident36 Ų3669.4 Ų69.416%0.15838%0.383CS..PPolyproline II helixtrans-65123172.1-72.2-85.6000110.1I36 I165 T166 L240 D323 I324 L327I36-F319 HydrophobicContact CD1-CE1 4.08Å; I36-F319 HydrophobicContact CD1-CE2 3.8Å; I36-F319 HydrophobicContact CD1-CZ 3.34Å; I36-F319 HydrophobicContact CG1-CE2 3.92Å; I36-F319 HydrophobicContact CG1-CZ 4Å; I36-F319 HydrophobicContact CG2-CD1 4.27Å; I36-F319 HydrophobicContact CG2-CD2 3.79Å; I36-F319 HydrophobicContact CG2-CE1 4.21Å; I36-F319 HydrophobicContact CG2-CE2 3.73Å; I36-F319 HydrophobicContact CG2-CG 4.08Å; I36-F319 HydrophobicContact CG2-CZ 3.97Å; I165-F319 HydrophobicContact CB-CD1 3.97Å; I165-F319 HydrophobicContact CB-CD2 4.47Å; I165-F319 HydrophobicContact CB-CE1 3.6Å; I165-F319 HydrophobicContact CB-CE2 4.13Å; I165-F319 HydrophobicContact CB-CG 4.39Å; I165-F319 HydrophobicContact CB-CZ 3.67Å; I165-F319 HydrophobicContact CD1-CD1 3.6Å; I165-F319 HydrophobicContact CD1-CE1 3.63Å; I165-F319 HydrophobicContact CG1-CD1 4.37Å; I165-F319 HydrophobicContact CG1-CE1 4.13Å; I165-F319 HydrophobicContact CG2-CD1 3.89Å; I165-F319 HydrophobicContact CG2-CD2 3.96Å; I165-F319 HydrophobicContact CG2-CE1 4.01Å; I165-F319 HydrophobicContact CG2-CE2 4.06Å; I165-F319 HydrophobicContact CG2-CG 3.86Å; I165-F319 HydrophobicContact CG2-CZ 4.07Å; T166-F319 HydrophobicContact CG2-CD2 3.73Å; T166-F319 HydrophobicContact CG2-CE2 3.61Å; L240-F319 HydrophobicContact CD1-CE1 4.4Å; L240-F319 HydrophobicContact CD1-CZ 4.44Å; F319-D323 HydrophobicContact CD1-CB 4.13Å; F319-I324 HydrophobicContact CB-CD1 3.74Å; F319-I324 HydrophobicContact CB-CG1 4.16Å; F319-I324 HydrophobicContact CD1-CD1 4.4Å; F319-I324 HydrophobicContact CG-CD1 4.14Å; F319-L327 HydrophobicContact CD1-CD1 4.13Å; F319-L327 HydrophobicContact CE1-CD1 3.95Å
320L88.3Confident76.8Confident63 Ų6368.6 Ų68.633%0.3338%0.378SS..PPolyproline II helixtrans-78159.6172.4-80.6175.9000110.4E318 E322 D323 I324E318-L320 PolarHBondContact O-N 2.95Å; L320-E322 WeakPolarHBondContact CB-OE2 3.3Å; L320-E322 PolarHBondContact O-N 3.38Å; L320-E322 VanDerWaalsContact O-N 3.15Å; L320-D323 PolarHBondContact N-OD2 2.97Å; L320-D323 WeakPolarHBondContact O-CB 3.44Å; L320-D323 PolarHBondContact O-N 3.32Å; L320-I324 PolarHBondContact O-N 3.32Å; L320-I324 VanDerWaalsContact O-N 3.17Å
321P87.4Confident78.2Confident87 Ų8767.1 Ų67.157%0.56537%0.374SS*.Hα-helixtrans-52-36.6175.3-27.736.5000113.6I324 V325P321-I324 PolarHBondContact O-N 3.39Å; P321-V325 VanDerWaalsContact O-CG2 3.3Å; P321-V325 WeakPolarHBondContact O-CG2 2.99Å; P321-V325 PolarHBondContact O-N 3.03Å
322E88.5Confident79.9Confident112 Ų11267.9 Ų67.952%0.52338%0.375SS..Hα-helixtrans-64.3-39.8178-6569.8-149.500111.9L320 V325 H326L320-E322 WeakPolarHBondContact CB-OE2 3.3Å; L320-E322 PolarHBondContact O-N 3.38Å; L320-E322 VanDerWaalsContact O-N 3.15Å; E322-V325 PolarHBondContact O-N 3.3Å; E322-H326 PolarHBondContact O-CD2 3.4Å; E322-H326 PolarHBondContact O-N 2.95Å
323D91.3Very high81.3Confident15 Ų1573 Ų738%0.0840%0.395CS..Hα-helixtrans-63.6-47.5177.2-58.8-42.1000110I165 R310 F319 L320 V325 H326 L327I165-D323 HydrophobicContact CD1-CB 4.24Å; R310-D323 IonicContact CZ-OD2 3.62Å; R310-D323 IonicContact NH1-OD1 2.73Å; R310-D323 PolarHBondContact NH1-OD1 2.73Å; R310-D323 VanDerWaalsContact NH1-OD1 3.17Å; R310-D323 IonicContact NH1-OD2 3.22Å; R310-D323 PolarHBondContact NH1-OD2 2.89Å; R310-D323 IonicContact NH2-OD2 2.75Å; R310-D323 PolarHBondContact NH2-OD2 2.75Å; F319-D323 HydrophobicContact CD1-CB 4.13Å; L320-D323 PolarHBondContact N-OD2 2.97Å; L320-D323 WeakPolarHBondContact O-CB 3.44Å; L320-D323 PolarHBondContact O-N 3.32Å; D323-V325 VanDerWaalsContact C-N 3.29Å; D323-V325 PolarHBondContact O-N 3.08Å; D323-H326 PolarHBondContact O-N 2.96Å; D323-H326 VanDerWaalsContact O-N 3.13Å; D323-L327 VanDerWaalsContact O-CG 3.27Å; D323-L327 WeakPolarHBondContact O-CG 3.39Å; D323-L327 PolarHBondContact O-N 3Å
324I91.5Very high82.5Confident25 Ų2565.3 Ų65.313%0.12836%0.357CS..Hα-helixtrans-58.9-41.2177.6-61.1-59.2000111.2I36 L37 F319 L320 P321 L327 T328I36-I324 HydrophobicContact CG2-CD1 3.84Å; L37-I324 HydrophobicContact CD2-CG2 3.82Å; F319-I324 HydrophobicContact CB-CD1 3.74Å; F319-I324 HydrophobicContact CB-CG1 4.16Å; F319-I324 HydrophobicContact CD1-CD1 4.4Å; F319-I324 HydrophobicContact CG-CD1 4.14Å; L320-I324 PolarHBondContact O-N 3.32Å; L320-I324 VanDerWaalsContact O-N 3.17Å; P321-I324 PolarHBondContact O-N 3.39Å; I324-L327 PolarHBondContact O-N 3.11Å; I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.46Å; I324-T328 PolarHBondContact O-OG1 3.46Å
325V92Very high83.4Confident81 Ų8159.1 Ų59.149%0.49133%0.325SS..Hα-helixtrans-63.3-45.9175.6170.40000110.9P321 E322 D323 L327 T328 L329P321-V325 VanDerWaalsContact O-CG2 3.3Å; P321-V325 WeakPolarHBondContact O-CG2 2.99Å; P321-V325 PolarHBondContact O-N 3.03Å; E322-V325 PolarHBondContact O-N 3.3Å; D323-V325 VanDerWaalsContact C-N 3.29Å; D323-V325 PolarHBondContact O-N 3.08Å; V325-L327 PolarHBondContact O-N 3.49Å; V325-T328 PolarHBondContact O-N 3.44Å; V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.35Å; V325-L329 PolarHBondContact O-N 3.4Å
326H91.2Very high83.5Confident75 Ų7563.8 Ų63.835%0.34734%0.335SS..Hα-helixtrans-61.9-43.9177.6-76.8-45.2000112.8K238 E322 D323 L329 T330K238-H326 HydrophobicContact CB-CB 4.35Å; E322-H326 PolarHBondContact O-CD2 3.4Å; E322-H326 PolarHBondContact O-N 2.95Å; D323-H326 PolarHBondContact O-N 2.96Å; D323-H326 VanDerWaalsContact O-N 3.13Å; H326-L329 PolarHBondContact O-N 2.8Å; H326-T330 WeakPolarHBondContact O-CB 3.15Å; H326-T330 PolarHBondContact O-N 3.48Å; H326-T330 PolarHBondContact O-OG1 3.27Å
327L92Very high83.2Confident0 Ų064.7 Ų64.70%034%0.335CS..Hα-helixtrans-61.2-45.3176.1-68.6177.1000111.5V33 I36 L37 F236 G239 L240 F319 D323 I324 V325 T330 I331V33-L327 HydrophobicContact CG1-CB 3.79Å; V33-L327 HydrophobicContact CG1-CD1 4.16Å; V33-L327 HydrophobicContact CG1-CD2 3.83Å; V33-L327 HydrophobicContact CG1-CG 4.13Å; V33-L327 HydrophobicContact CG2-CD2 4.25Å; I36-L327 HydrophobicContact CG2-CD1 4.34Å; L37-L327 HydrophobicContact CD2-CB 4.11Å; F236-L327 HydrophobicContact CB-CD2 4.33Å; F236-L327 HydrophobicContact CD1-CD2 3.77Å; F236-L327 HydrophobicContact CE1-CD2 4.46Å; F236-L327 HydrophobicContact CG-CD2 4.27Å; G239-L327 WeakPolarHBondContact O-CD1 3.26Å; L240-L327 HydrophobicContact CB-CD2 3.91Å; L240-L327 HydrophobicContact CD1-CD2 4.41Å; F319-L327 HydrophobicContact CD1-CD1 4.13Å; F319-L327 HydrophobicContact CE1-CD1 3.95Å; D323-L327 VanDerWaalsContact O-CG 3.27Å; D323-L327 WeakPolarHBondContact O-CG 3.39Å; D323-L327 PolarHBondContact O-N 3Å; I324-L327 PolarHBondContact O-N 3.11Å; V325-L327 PolarHBondContact O-N 3.49Å; L327-T330 PolarHBondContact O-N 3.16Å; L327-I331 PolarHBondContact O-N 3.25Å
328T91.6Very high81.8Confident46 Ų4667.1 Ų67.128%0.28237%0.368SS..Hα-helixtrans-60-52177.8-57.50000111.1L37 I324 V325 T330 I331 E332L37-T328 WeakPolarHBondContact CD2-OG1 2.99Å; I324-T328 WeakPolarHBondContact O-CB 3.48Å; I324-T328 PolarHBondContact O-N 3.46Å; I324-T328 PolarHBondContact O-OG1 3.46Å; V325-T328 PolarHBondContact O-N 3.44Å; T328-T330 PolarHBondContact O-N 3Å; T328-I331 PolarHBondContact O-N 3.32Å; T328-E332 HydrophobicContact CG2-CG 4.43Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 3.47Å
329L90.6Very high80Confident75 Ų7569.8 Ų69.839%0.39337%0.372SS..Hα-helixtrans-59-36.2178.8-72172.8000112.4V325 H326 K333V325-L329 HydrophobicContact CG1-CD1 3.93Å; V325-L329 HydrophobicContact CG1-CG 4.4Å; V325-L329 WeakPolarHBondContact O-CB 3.22Å; V325-L329 VanDerWaalsContact O-CG 3.3Å; V325-L329 WeakPolarHBondContact O-CG 3.35Å; V325-L329 PolarHBondContact O-N 3.4Å; H326-L329 PolarHBondContact O-N 2.8Å; L329-K333 WeakPolarHBondContact O-CB 3.17Å; L329-K333 VanDerWaalsContact O-CG 3.26Å; L329-K333 WeakPolarHBondContact O-CG 3.37Å; L329-K333 PolarHBondContact O-N 3.38Å; L329-K333 VanDerWaalsContact O-N 3.08Å
330T89.7Confident77.7Confident37 Ų3771.8 Ų71.823%0.22739%0.39CS..Hα-helixtrans-71.4-41.5180-55.40000111.2L235 F236 H326 L327 T328L235-T330 VanDerWaalsContact O-CG2 3.3Å; L235-T330 WeakPolarHBondContact O-CG2 3.04Å; F236-T330 HydrophobicContact CD1-CG2 3.51Å; F236-T330 HydrophobicContact CE1-CG2 3.56Å; F236-T330 HydrophobicContact CG-CG2 4.37Å; F236-T330 HydrophobicContact CZ-CG2 4.45Å; H326-T330 WeakPolarHBondContact O-CB 3.15Å; H326-T330 PolarHBondContact O-N 3.48Å; H326-T330 PolarHBondContact O-OG1 3.27Å; L327-T330 PolarHBondContact O-N 3.16Å; T328-T330 PolarHBondContact O-N 3Å
331I87.9Confident75.9Confident16 Ų1671.4 Ų71.48%0.08239%0.388CS..Hα-helixtrans-63.2-41.3173.3-76.4-178.2000111.5V33 Q34 L37 F236 L327 T328 G334V33-I331 HydrophobicContact CB-CD1 3.95Å; V33-I331 HydrophobicContact CG1-CD1 3.44Å; V33-I331 VanDerWaalsContact CG1-CD1 3.44Å; V33-I331 HydrophobicContact CG1-CG1 4.19Å; Q34-I331 HydrophobicContact CG-CD1 3.9Å; L37-I331 HydrophobicContact CD1-CD1 3.71Å; F236-I331 HydrophobicContact CE1-CG1 3.85Å; F236-I331 HydrophobicContact CZ-CD1 4.47Å; F236-I331 HydrophobicContact CZ-CG1 3.88Å; L327-I331 PolarHBondContact O-N 3.25Å; T328-I331 PolarHBondContact O-N 3.32Å; I331-G334 PolarHBondContact O-N 3.3Å; I331-G334 VanDerWaalsContact O-N 3.14Å
332E86Confident73.8Confident88 Ų8876.4 Ų76.441%0.41140%0.396SS..Hα-helixtrans-68.7-36.8-178.1-74.6-176.5160.500113.9T328 G334T328-E332 HydrophobicContact CG2-CG 4.43Å; T328-E332 WeakPolarHBondContact O-CG 3.41Å; T328-E332 PolarHBondContact O-N 3.47Å; E332-G334 PolarHBondContact O-N 2.73Å
333K83.7Confident71.5Confident170 Ų17074.4 Ų74.474%0.73939%0.394SS*.Hα-helixtrans-62.2-19.5172.8-76173.8-178-178.50112.3L329L329-K333 WeakPolarHBondContact O-CB 3.17Å; L329-K333 VanDerWaalsContact O-CG 3.26Å; L329-K333 WeakPolarHBondContact O-CG 3.37Å; L329-K333 PolarHBondContact O-N 3.38Å; L329-K333 VanDerWaalsContact O-N 3.08Å
334G73Confident69.2Low13 Ų1380 Ų8013%0.13442%0.424CS..  trans84.7128.7-173.100000109.3I331 E332 D336I331-G334 PolarHBondContact O-N 3.3Å; I331-G334 VanDerWaalsContact O-N 3.14Å; E332-G334 PolarHBondContact O-N 2.73Å; G334-D336 PolarHBondContact O-N 3.25Å
335V66.9Low66.8Low11 Ų1182.7 Ų82.77%0.06743%0.433CS..  trans-70119.9171.4-1760000107.1P30 L235 F236 D337 I341P30-V335 HydrophobicContact CB-CG2 4.27Å; P30-V335 HydrophobicContact CG-CG1 4.32Å; P30-V335 HydrophobicContact CG-CG2 4.1Å; L235-V335 HydrophobicContact CB-CG1 4.34Å; L235-V335 HydrophobicContact CD1-CG1 3.84Å; L235-V335 HydrophobicContact CD2-CG1 3.52Å; L235-V335 HydrophobicContact CG-CG1 4.07Å; F236-V335 HydrophobicContact CZ-CG2 4.17Å; V335-D337 HydrophobicContact CG1-CB 4.4Å; V335-D337 PolarHBondContact O-N 3.02Å; V335-I341 HydrophobicContact CG2-CD1 4.26Å
336D55.6Low64.3Low161 Ų16184.4 Ų84.486%0.86144%0.444SS*.SBendtrans-61.714.3-173.1-71.2-36.6000115.6G334 G338G334-D336 PolarHBondContact O-N 3.25Å; D336-G338 PolarHBondContact O-N 3.48Å
337D52Low61.6Low88 Ų8892.1 Ų92.147%0.47147%0.47SS..SBendtrans-72.820178.4-69.4-18.7000113.6V335 R339V335-D337 HydrophobicContact CG1-CB 4.4Å; V335-D337 PolarHBondContact O-N 3.02Å; D337-R339 PolarHBondContact O-N 2.66Å
338G44.6Very low58.7Low79 Ų7998.4 Ų98.481%0.81451%0.513SS*.SBendtrans65.15.2178.300000114.9D336D336-G338 PolarHBondContact O-N 3.48Å
339R47.3Very low56Low187 Ų187102.2 Ų102.271%0.70654%0.536SS*.SBendtrans-123.393.6169-71-173.5-159.1-157.10.7107.8D337 I341D337-R339 PolarHBondContact O-N 2.66Å; R339-I341 PolarHBondContact O-N 2.66Å
340S40.8Very low53.4Low78 Ų78106.1 Ų106.155%0.54556%0.557SS.*  trans-50.4113.8169.8-172.10000109.4R342S340-R342 PolarHBondContact O-N 3.13Å; S340-R342 VanDerWaalsContact O-N 3.12Å; S340-R342 WeakPolarHBondContact OG-CB 3.41Å; S340-R342 WeakPolarHBondContact OG-CD 3.42Å; S340-R342 VanDerWaalsContact OG-CG 3.23Å; S340-R342 WeakPolarHBondContact OG-CG 3.37Å; S340-R342 PolarHBondContact OG-N 3.15Å
341I49.9Very low50.7Low56 Ų56110.1 Ų110.129%0.28759%0.587SS.*  trans-76.419.3167.4-48.8173000109.2P30 V335 R339 S343P30-I341 HydrophobicContact CB-CD1 3.48Å; P30-I341 VanDerWaalsContact CB-CD1 3.48Å; P30-I341 HydrophobicContact CG-CD1 4.09Å; V335-I341 HydrophobicContact CG2-CD1 4.26Å; R339-I341 PolarHBondContact O-N 2.66Å; I341-S343 PolarHBondContact O-N 3.13Å
342R43.4Very low48.4Very low191 Ų191114.1 Ų114.172%0.72162%0.616SS**  trans-71.577165-70.1177.9155.9-167.9-6.4109.6S340S340-R342 PolarHBondContact O-N 3.13Å; S340-R342 VanDerWaalsContact O-N 3.12Å; S340-R342 WeakPolarHBondContact OG-CB 3.41Å; S340-R342 WeakPolarHBondContact OG-CD 3.42Å; S340-R342 VanDerWaalsContact OG-CG 3.23Å; S340-R342 WeakPolarHBondContact OG-CG 3.37Å; S340-R342 PolarHBondContact OG-N 3.15Å
343S41.7Very low45.8Very low71 Ų71115.6 Ų115.650%0.49763%0.632SS.*SBendtrans-133.7107.1143.960.60000108.7I341I341-S343 PolarHBondContact O-N 3.13Å
344N41.7Very low43.5Very low132 Ų132113.4 Ų113.471%0.70664%0.636SS**SBendtrans88.733152.5-43.4-36.1000119.5M1M1-N344 PolarHBondContact N-O 3.13Å
345Y41.2Very low41.6Very low81 Ų81123.4 Ų123.432%0.31867%0.671SS.*  trans-103.8-14.5167.4-87.8-81.1000114.7Q34 Q38 R347Q34-Y345 HydrophobicContact CG-CE2 4.5Å; Q38-Y345 PolarHBondContact NE2-OH 2.85Å; Y345-R347 PolarHBondContact O-N 3.26Å
346T38.8Very low40.5Very low117 Ų117127.8 Ų127.872%0.71870%0.702SS**SBendtrans-10132.6-167.5-27.10000116.2
347R35.8Very low39.8Very low237 Ų237126.2 Ų126.289%0.89470%0.699SS**SBendtrans-146.791.8170.8-96.8-173.6-173.11752.5109Y345Y345-R347 PolarHBondContact O-N 3.26Å
348C30.7Very low39.5Very low132 Ų132128.8 Ų128.889%0.89272%0.717SS**SBendtrans178.942.6154.4-93.20000111.9
349T35.3Very low39.7Very low126 Ų126130.6 Ų130.677%0.77371%0.713SS**SBendtrans-147.3127.1162.954.20000106.5
350N35.1Very low39.4Very low158 Ų158129.8 Ų129.885%0.84572%0.722SS**  trans94.770.4-176.4-49-18.4000115.8
351S33.7Very low39.7Very low121 Ų121130.7 Ų130.785%0.84674%0.735SS**  trans-14172.6142.360.30000108.9T353S351-T353 PolarHBondContact O-N 2.99Å
352S39Very low39.7Very low100 Ų100139.6 Ų139.670%0.69977%0.765SS**  trans-56.4123.2160.642.90000110.2
353T31.5Very low40.1Very low119 Ų119140.2 Ų140.273%0.7377%0.772SS**  trans36.692136.5-30.50000116.9S351 Y355S351-T353 PolarHBondContact O-N 2.99Å; T353-Y355 HydrophobicContact CG2-CD2 4.22Å
354C35.2Very low40.6Very low123 Ų123141.5 Ų141.583%0.83178%0.779SS**  trans-129.691153.5-730000108.8S356C354-S356 PolarHBondContact O-N 2.9Å
355Y33.8Very low40.7Very low223 Ų223145 Ų14588%0.87579%0.788SS**  trans-65.3119.3155.2-85.2-95.2000107.6T353T353-Y355 HydrophobicContact CG2-CD2 4.22Å
356S43.9Very low41Very low103 Ų103155.9 Ų155.972%0.7283%0.829SS**  trans-134.6106.9159.861.80000109.1C354 V358C354-S356 PolarHBondContact O-N 2.9Å; S356-V358 PolarHBondContact O-N 3.28Å
357T40.7Very low41.1Very low129 Ų129157.8 Ų157.879%0.79184%0.835SS**  trans-44.3119.1168.542.40000112.5
358V44.5Very low41.4Very low141 Ų141153.6 Ų153.686%0.85583%0.831SS**  trans-93.4104.6161.5178.90000107.3S356S356-V358 PolarHBondContact O-N 3.28Å
359T49.1Very low42Very low117 Ų117154.8 Ų154.872%0.71883%0.828SS**  trans-69.5126.8177.9470000111A361T359-A361 PolarHBondContact O-N 3.27Å
360N41.1Very low42.4Very low170 Ų170156.5 Ų156.591%0.90983%0.831SS**  trans-53.5121.8163-81.1-53.8000111.2
361A48.4Very low42.8Very low97 Ų97156.4 Ų156.480%0.80283%0.83SS**  trans-148.499.3156.700000110.3T359T359-A361 PolarHBondContact O-N 3.27Å
362R49.3Very low43.5Very low244 Ų244158.8 Ų158.892%0.92183%0.829SS**  trans-54.8143.4162.2-68.9171.2170.5174-4.1109.9
363K51.7Low43.8Very low203 Ų203163 Ų16388%0.88384%0.839SS**  -169.1154.6108.9-100.8173.8-176.8-176.60112.5
364P51.4Low44.7Very low99 Ų99166.4 Ų166.464%0.64385%0.847SS**  trans-117.5178.3-160.132.4-12.3000113.9
365F43.9Very low45.5Very low204 Ų204170 Ų17090%0.89585%0.848SS**  trans66.5128.5171-65.5-85.4000114.3
366R48.2Very low46.6Very low310 Ų310165.2 Ų165.2100%1.1785%0.846SS**  cis-155.5039.4-163.3-178.2-164.8179.63.7109.8

Retrieved 366 of 366 residues in 658.7 ms (Link to these results)

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