A0A3B5R456_XIPMA Loading...

DNA-directed RNA polymerases I, II, and III subunit RPABC1

AlphaFold DB , UniProt , Accession A0A3B5R456, Species XIPMA (Xiphophorus maculatus, Southern platyfish), Gene n/a, Length 210 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
1M60.5Low89.2Confident214 Ų21475.1 Ų75.1100%1.05435%0.347SS*.  0137.20-93.5171.3167.500105.8D3M1-D3 PolarHBondContact O-N 3.32Å
2D85.8Confident89.8Confident95 Ų9572.7 Ų72.751%0.50834%0.335SS..  trans-78105.6174.8-169.2-8.6000107.7E4 E5 E6D2-E4 PolarHBondContact O-N 3.37Å; D2-E4 WeakPolarHBondContact OD1-CB 3.48Å; D2-E4 PolarHBondContact OD1-N 2.89Å; D2-E5 HydrophobicContact CB-CB 3.9Å; D2-E5 PolarHBondContact O-N 3.49Å; D2-E6 PolarHBondContact O-N 2.65Å; D2-E6 VanDerWaalsContact O-N 3.09Å
3D89.1Confident90.3Very high38 Ų3867.3 Ų67.320%0.20331%0.31CS..Hα-helixtrans-59-31.4-178.8-83.9-30.1000111.4M1 T7 S49M1-D3 PolarHBondContact O-N 3.32Å; D3-T7 VanDerWaalsContact O-CB 3.26Å; D3-T7 WeakPolarHBondContact O-CB 3.35Å; D3-T7 PolarHBondContact O-N 3.3Å; D3-T7 PolarHBondContact O-OG1 2.96Å; D3-S49 VanDerWaalsContact CG-OG 3.27Å; D3-S49 WeakPolarHBondContact OD1-CB 3.41Å; D3-S49 PolarHBondContact OD1-N 3.27Å; D3-S49 PolarHBondContact OD1-OG 2.92Å; D3-S49 WeakPolarHBondContact OD2-CB 3.24Å; D3-S49 PolarHBondContact OD2-OG 2.85Å
4E90.2Very high90.7Very high126 Ų12663.8 Ų63.859%0.58929%0.293SS*.Hα-helixtrans-67.4-45.1177-169.9172.2-170.400111D2 T7 Y8D2-E4 PolarHBondContact O-N 3.37Å; D2-E4 WeakPolarHBondContact OD1-CB 3.48Å; D2-E4 PolarHBondContact OD1-N 2.89Å; E4-T7 PolarHBondContact O-N 3.27Å; E4-Y8 WeakPolarHBondContact O-CB 3.45Å; E4-Y8 PolarHBondContact O-N 3.45Å
5E91.6Very high91Very high95 Ų9562.3 Ų62.344%0.44429%0.285SS..Hα-helixtrans-64.3-45.2178.3-167.5-172.5-173.900111.9D2 Y8 R9D2-E5 HydrophobicContact CB-CB 3.9Å; D2-E5 PolarHBondContact O-N 3.49Å; E5-Y8 PolarHBondContact O-N 2.77Å; E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 3.27Å; E5-R9 IonicContact OE1-CZ 3.35Å; E5-R9 IonicContact OE1-NE 3.58Å; E5-R9 IonicContact OE1-NH2 2.62Å; E5-R9 PolarHBondContact OE1-NH2 3.34Å; E5-R9 IonicContact OE2-NH2 3.53Å
6E90.6Very high91.4Very high23 Ų2358.5 Ų58.511%0.10727%0.268CS..Hα-helixtrans-68-38.5179.6-173.169.1-177.800111.2D2 Y8 R9 L10 P48 R55D2-E6 PolarHBondContact O-N 2.65Å; D2-E6 VanDerWaalsContact O-N 3.09Å; E6-Y8 PolarHBondContact O-N 3.21Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE2-NH1 3.54Å; E6-L10 HydrophobicContact CG-CD1 4.38Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 2.9Å; E6-P48 HydrophobicContact CB-CB 4.41Å; E6-P48 HydrophobicContact CB-CG 4.1Å; E6-P48 HydrophobicContact CG-CB 4.09Å; E6-P48 HydrophobicContact CG-CG 4.15Å; E6-R55 IonicContact OE1-CZ 3.57Å; E6-R55 IonicContact OE1-NH1 3.03Å; E6-R55 IonicContact OE1-NH2 3.72Å; E6-R55 PolarHBondContact OE1-NH2 2.91Å
7T93.4Very high91.8Very high0 Ų055.1 Ų55.10%025%0.252CS..Hα-helixtrans-60.1-46.4173.6-60.40000111.1D3 E4 R9 L10 W11 L37 F40 K41 D46 P48D3-T7 VanDerWaalsContact O-CB 3.26Å; D3-T7 WeakPolarHBondContact O-CB 3.35Å; D3-T7 PolarHBondContact O-N 3.3Å; D3-T7 PolarHBondContact O-OG1 2.96Å; E4-T7 PolarHBondContact O-N 3.27Å; T7-R9 VanDerWaalsContact C-N 3.34Å; T7-R9 PolarHBondContact O-N 3.46Å; T7-L10 PolarHBondContact O-N 3.13Å; T7-W11 WeakPolarHBondContact O-CB 3.14Å; T7-W11 PolarHBondContact O-N 3.32Å; T7-L37 HydrophobicContact CG2-CD1 4.42Å; T7-F40 HydrophobicContact CG2-CD1 4.22Å; T7-F40 HydrophobicContact CG2-CE1 4.08Å; T7-K41 HydrophobicContact CG2-CG 3.84Å; T7-D46 PolarHBondContact OG1-O 3.06Å; T7-P48 WeakPolarHBondContact OG1-CD 3.4Å; T7-P48 VanDerWaalsContact OG1-CG 3.27Å; T7-P48 WeakPolarHBondContact OG1-CG 3.21Å
8Y94.4Very high92.1Very high116 Ų11652.1 Ų52.146%0.45524%0.239SC..Hα-helixtrans-59.3-44.1176.6178.4-94.6000112E4 E5 E6 W11 K12 L37E4-Y8 WeakPolarHBondContact O-CB 3.45Å; E4-Y8 PolarHBondContact O-N 3.45Å; E5-Y8 PolarHBondContact O-N 2.77Å; E6-Y8 PolarHBondContact O-N 3.21Å; Y8-W11 AromaticContact CD2-CE3 3.87Å; Y8-W11 HydrophobicContact CD2-CE3 3.87Å; Y8-W11 AromaticContact CD2-CZ3 3.99Å; Y8-W11 HydrophobicContact CD2-CZ3 3.99Å; Y8-W11 AromaticContact CE2-CE3 3.81Å; Y8-W11 HydrophobicContact CE2-CE3 3.81Å; Y8-W11 AromaticContact CE2-CZ3 3.45Å; Y8-W11 HydrophobicContact CE2-CZ3 3.45Å; Y8-W11 VanDerWaalsContact CE2-CZ3 3.45Å; Y8-W11 PolarHBondContact O-N 3Å; Y8-K12 WeakPolarHBondContact O-CB 3.34Å; Y8-K12 PolarHBondContact O-N 3.47Å; Y8-L37 HydrophobicContact CD2-CD1 4.47Å; Y8-L37 HydrophobicContact CD2-CD2 4.04Å
9R94.3Very high92.3Very high82 Ų8251.1 Ų51.131%0.30923%0.234SC..Hα-helixtrans-60.8-48.2176.9-72.6172.8-177.6170.90.5111.5E5 E6 T7 W11 K12 I13 L136E5-R9 WeakPolarHBondContact O-CG 3.45Å; E5-R9 PolarHBondContact O-N 3.27Å; E5-R9 IonicContact OE1-CZ 3.35Å; E5-R9 IonicContact OE1-NE 3.58Å; E5-R9 IonicContact OE1-NH2 2.62Å; E5-R9 PolarHBondContact OE1-NH2 3.34Å; E5-R9 IonicContact OE2-NH2 3.53Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE2-NH1 3.54Å; T7-R9 VanDerWaalsContact C-N 3.34Å; T7-R9 PolarHBondContact O-N 3.46Å; R9-W11 PolarHBondContact O-N 2.94Å; R9-K12 PolarHBondContact O-N 2.84Å; R9-I13 WeakPolarHBondContact O-CB 3.34Å; R9-I13 VanDerWaalsContact O-CD1 3.3Å; R9-I13 WeakPolarHBondContact O-CD1 3.43Å; R9-I13 WeakPolarHBondContact O-CG1 3.34Å; R9-I13 PolarHBondContact O-N 3.42Å; R9-L136 HydrophobicContact CB-CD2 3.94Å; R9-L136 HydrophobicContact CG-CD2 3.9Å
10L95Very high92.6Very high4 Ų448.5 Ų48.52%0.02122%0.222CC..Hα-helixtrans-61.6-43.5179.8-70.2174.6000111.8E6 T7 R14 F40 P53 R55 L58E6-L10 HydrophobicContact CG-CD1 4.38Å; E6-L10 WeakPolarHBondContact O-CG 3.46Å; E6-L10 PolarHBondContact O-N 2.9Å; T7-L10 PolarHBondContact O-N 3.13Å; L10-R14 WeakPolarHBondContact O-CB 3.5Å; L10-R14 PolarHBondContact O-N 3.49Å; L10-F40 HydrophobicContact CB-CZ 4.2Å; L10-P53 HydrophobicContact CD1-CG 3.62Å; L10-R55 HydrophobicContact CD2-CG 4.22Å; L10-L58 HydrophobicContact CB-CD1 4.08Å; L10-L58 HydrophobicContact CD1-CD1 4.39Å; L10-L58 HydrophobicContact CD2-CD1 3.93Å; L10-L58 HydrophobicContact CG-CD1 4.36Å
11W95.8Very high92.7Very high33 Ų3346.2 Ų46.213%0.12521%0.212CC..Hα-helixtrans-57.8-50.7172.9167.468.2000111.4T7 Y8 R9 I13 R14 K15 Q35 T36 L37 F40T7-W11 WeakPolarHBondContact O-CB 3.14Å; T7-W11 PolarHBondContact O-N 3.32Å; Y8-W11 AromaticContact CD2-CE3 3.87Å; Y8-W11 HydrophobicContact CD2-CE3 3.87Å; Y8-W11 AromaticContact CD2-CZ3 3.99Å; Y8-W11 HydrophobicContact CD2-CZ3 3.99Å; Y8-W11 AromaticContact CE2-CE3 3.81Å; Y8-W11 HydrophobicContact CE2-CE3 3.81Å; Y8-W11 AromaticContact CE2-CZ3 3.45Å; Y8-W11 HydrophobicContact CE2-CZ3 3.45Å; Y8-W11 VanDerWaalsContact CE2-CZ3 3.45Å; Y8-W11 PolarHBondContact O-N 3Å; R9-W11 PolarHBondContact O-N 2.94Å; W11-I13 PolarHBondContact O-N 3.02Å; W11-R14 PolarHBondContact O-N 3.13Å; W11-K15 HydrophobicContact CZ2-CD 4.06Å; W11-K15 WeakPolarHBondContact O-CB 3.29Å; W11-K15 PolarHBondContact O-N 3.33Å; W11-Q35 PolarHBondContact NE1-O 3.41Å; W11-T36 PolarHBondContact NE1-O 3.24Å; W11-L37 HydrophobicContact CB-CD1 3.76Å; W11-L37 HydrophobicContact CD2-CB 4.15Å; W11-L37 HydrophobicContact CD2-CD1 3.95Å; W11-L37 HydrophobicContact CE3-CB 4.38Å; W11-L37 HydrophobicContact CE3-CD1 4.09Å; W11-L37 HydrophobicContact CG-CD1 3.82Å; W11-F40 HydrophobicContact CB-CB 4.42Å; W11-F40 HydrophobicContact CB-CD1 3.73Å; W11-F40 HydrophobicContact CB-CD2 4.24Å; W11-F40 HydrophobicContact CB-CE1 3.98Å; W11-F40 HydrophobicContact CB-CE2 4.47Å; W11-F40 HydrophobicContact CB-CG 3.86Å; W11-F40 HydrophobicContact CB-CZ 4.34Å; W11-F40 AromaticContact CD1-CD2 3.98Å; W11-F40 AromaticContact CD1-CG 3.7Å; W11-F40 HydrophobicContact CG-CB 4.21Å; W11-F40 HydrophobicContact CG-CD1 4.4Å; W11-F40 HydrophobicContact CG-CG 4.14Å
12K96.3Very high94.4Very high46 Ų4640 Ų4020%0.218%0.18CC..Hα-helixtrans-63.4-43.3-177.4-173.360.1176.2170.50112.1Y8 R9 K15 T16 L136Y8-K12 WeakPolarHBondContact O-CB 3.34Å; Y8-K12 PolarHBondContact O-N 3.47Å; R9-K12 PolarHBondContact O-N 2.84Å; K12-K15 PolarHBondContact O-N 3.01Å; K12-T16 PolarHBondContact O-N 3.24Å; K12-T16 PolarHBondContact O-OG1 2.79Å; K12-T16 VanDerWaalsContact O-OG1 3.08Å; K12-L136 WeakPolarHBondContact CE-O 3.46Å; K12-L136 WeakPolarHBondContact CG-O 3.45Å
13I96.6Very high94.9Very high3 Ų338.8 Ų38.82%0.01517%0.174CC..Hα-helixtrans-60.6-46.6175.3-68.1157.3000110.4R9 W11 K15 T16 I17 F76 V105 Q132 L135 L136R9-I13 WeakPolarHBondContact O-CB 3.34Å; R9-I13 VanDerWaalsContact O-CD1 3.3Å; R9-I13 WeakPolarHBondContact O-CD1 3.43Å; R9-I13 WeakPolarHBondContact O-CG1 3.34Å; R9-I13 PolarHBondContact O-N 3.42Å; W11-I13 PolarHBondContact O-N 3.02Å; I13-K15 VanDerWaalsContact C-N 3.33Å; I13-K15 PolarHBondContact O-N 3.42Å; I13-T16 PolarHBondContact O-N 2.64Å; I13-I17 WeakPolarHBondContact O-CB 3.39Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 2.96Å; I13-F76 HydrophobicContact CG2-CE1 3.93Å; I13-V105 HydrophobicContact CG2-CG1 4.01Å; I13-Q132 HydrophobicContact CD1-CB 3.75Å; I13-Q132 HydrophobicContact CD1-CG 4.37Å; I13-L135 HydrophobicContact CB-CB 4.46Å; I13-L135 HydrophobicContact CG1-CB 4.32Å; I13-L135 HydrophobicContact CG2-CB 3.92Å; I13-L135 HydrophobicContact CG2-CD1 3.98Å; I13-L136 HydrophobicContact CD1-CD2 4.08Å; I13-L136 HydrophobicContact CG1-CD2 3.87Å; I13-L136 HydrophobicContact CG1-CG 4.29Å
14R95.8Very high95.2Very high18 Ų1838.5 Ų38.57%0.06817%0.17CC..Hα-helixtrans-60-45.1178.1-178.5176.1-17974.6-2.2110.9L10 W11 T16 I17 M18 L58L10-R14 WeakPolarHBondContact O-CB 3.5Å; L10-R14 PolarHBondContact O-N 3.49Å; W11-R14 PolarHBondContact O-N 3.13Å; R14-T16 PolarHBondContact O-N 2.9Å; R14-I17 WeakPolarHBondContact O-CB 3.32Å; R14-I17 PolarHBondContact O-N 3.32Å; R14-M18 HydrophobicContact CG-CE 4.16Å; R14-M18 WeakPolarHBondContact O-CG 3.46Å; R14-M18 PolarHBondContact O-N 2.97Å; R14-L58 PolarHBondContact NH1-O 3.46Å
15K96.2Very high95.3Very high41 Ų4133.5 Ų33.518%0.17815%0.152CC..Hα-helixtrans-58.9-47.7177.5-174.2163.9-178.5140.90112W11 K12 I13 I17 M18 Q19 L33W11-K15 HydrophobicContact CZ2-CD 4.06Å; W11-K15 WeakPolarHBondContact O-CB 3.29Å; W11-K15 PolarHBondContact O-N 3.33Å; K12-K15 PolarHBondContact O-N 3.01Å; I13-K15 VanDerWaalsContact C-N 3.33Å; I13-K15 PolarHBondContact O-N 3.42Å; K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.48Å; K15-M18 PolarHBondContact O-N 2.87Å; K15-Q19 WeakPolarHBondContact O-CG 3.13Å; K15-Q19 PolarHBondContact O-N 2.78Å; K15-L33 WeakPolarHBondContact CE-O 3.21Å; K15-L33 PolarHBondContact NZ-O 3.36Å; K15-L33 VanDerWaalsContact NZ-O 3.09Å
16T97.3Very high95.5Very high2 Ų229.3 Ų29.31%0.01213%0.132CC..Hα-helixtrans-60.9-39.1175.3-54.30000112.1K12 I13 R14 Q19 L20 L135 N138K12-T16 PolarHBondContact O-N 3.24Å; K12-T16 PolarHBondContact O-OG1 2.79Å; K12-T16 VanDerWaalsContact O-OG1 3.08Å; I13-T16 PolarHBondContact O-N 2.64Å; R14-T16 PolarHBondContact O-N 2.9Å; T16-Q19 PolarHBondContact O-N 3.21Å; T16-L20 VanDerWaalsContact O-CB 3.31Å; T16-L20 WeakPolarHBondContact O-CB 3.42Å; T16-L20 PolarHBondContact O-N 3.44Å; T16-L135 WeakPolarHBondContact CB-O 3.4Å; T16-L135 HydrophobicContact CG2-CB 4.5Å; T16-L135 HydrophobicContact CG2-CD2 4.22Å; T16-L135 PolarHBondContact OG1-O 2.96Å; T16-N138 HydrophobicContact CG2-CB 3.95Å
17I97.3Very high95.7Very high0 Ų033.6 Ų33.60%016%0.155CC..Hα-helixtrans-64.8-40.1175.9-77.6-64.6000111.8I13 R14 K15 L20 C21 V74 F76 I103 V105 L135I13-I17 WeakPolarHBondContact O-CB 3.39Å; I13-I17 WeakPolarHBondContact O-CG1 3.43Å; I13-I17 PolarHBondContact O-N 2.96Å; R14-I17 WeakPolarHBondContact O-CB 3.32Å; R14-I17 PolarHBondContact O-N 3.32Å; K15-I17 VanDerWaalsContact C-N 3.31Å; K15-I17 PolarHBondContact O-N 3.48Å; I17-L20 PolarHBondContact O-N 3.46Å; I17-C21 PolarHBondContact O-N 2.82Å; I17-C21 PolarHBondContact O-SG 2.85Å; I17-V74 HydrophobicContact CD1-CG1 4.43Å; I17-V74 HydrophobicContact CG2-CB 4.36Å; I17-V74 HydrophobicContact CG2-CG1 3.81Å; I17-V74 HydrophobicContact CG2-CG2 4.17Å; I17-F76 HydrophobicContact CG1-CZ 4.35Å; I17-I103 HydrophobicContact CD1-CG2 4.41Å; I17-V105 HydrophobicContact CD1-CG2 4.04Å; I17-V105 HydrophobicContact CG1-CG2 4.26Å; I17-L135 HydrophobicContact CD1-CD1 3.62Å; I17-L135 HydrophobicContact CD1-CD2 3.91Å; I17-L135 HydrophobicContact CD1-CG 4.4Å; I17-L135 HydrophobicContact CG1-CD1 3.89Å; I17-L135 HydrophobicContact CG1-CD2 4.47Å
18M97.1Very high95.8Very high2 Ų234.3 Ų34.31%0.0116%0.159CC..Hα-helixtrans-65-43.4176.9-68.6-50.8176.900111.5R14 K15 L20 C21 H22 V28 L33 V60R14-M18 HydrophobicContact CG-CE 4.16Å; R14-M18 WeakPolarHBondContact O-CG 3.46Å; R14-M18 PolarHBondContact O-N 2.97Å; K15-M18 PolarHBondContact O-N 2.87Å; M18-L20 PolarHBondContact O-N 2.86Å; M18-C21 PolarHBondContact O-N 2.86Å; M18-H22 WeakPolarHBondContact O-CB 3.48Å; M18-H22 PolarHBondContact O-N 3.19Å; M18-V28 HydrophobicContact CB-CG1 4.05Å; M18-V28 HydrophobicContact SD-CG1 4.27Å; M18-L33 HydrophobicContact CB-CD2 4.11Å; M18-V60 HydrophobicContact CE-CB 4.17Å; M18-V60 HydrophobicContact CE-CG1 3.9Å; M18-V60 HydrophobicContact CE-CG2 4.08Å
19Q96.8Very high95.8Very high32 Ų3232.1 Ų32.115%0.1516%0.158CC..Hα-helixtrans-59.5-45.3171.8-67.7174.2-36.400111.5K15 T16 C21 H22 D23 L33 N138 E141K15-Q19 WeakPolarHBondContact O-CG 3.13Å; K15-Q19 PolarHBondContact O-N 2.78Å; T16-Q19 PolarHBondContact O-N 3.21Å; Q19-C21 VanDerWaalsContact C-N 3.34Å; Q19-C21 PolarHBondContact O-N 2.98Å; Q19-H22 WeakPolarHBondContact O-CB 3.32Å; Q19-H22 PolarHBondContact O-N 2.88Å; Q19-D23 WeakPolarHBondContact O-CB 3.47Å; Q19-D23 PolarHBondContact O-N 3.03Å; Q19-L33 HydrophobicContact CG-CD2 4.15Å; Q19-N138 PolarHBondContact OE1-ND2 2.98Å; Q19-E141 PolarHBondContact NE2-OE1 2.99Å; Q19-E141 PolarHBondContact OE1-OE1 3.13Å
20L97Very high95.7Very high0 Ų033.6 Ų33.60%017%0.169CC..Hα-helixtrans-60-42.8176.6179.2159.2000112T16 I17 M18 R24 I103 F130 Y182T16-L20 VanDerWaalsContact O-CB 3.31Å; T16-L20 WeakPolarHBondContact O-CB 3.42Å; T16-L20 PolarHBondContact O-N 3.44Å; I17-L20 PolarHBondContact O-N 3.46Å; M18-L20 PolarHBondContact O-N 2.86Å; L20-R24 HydrophobicContact CD2-CG 4.46Å; L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.45Å; L20-R24 PolarHBondContact O-N 3.2Å; L20-R24 VanDerWaalsContact O-N 3.12Å; L20-I103 HydrophobicContact CD2-CD1 3.75Å; L20-F130 HydrophobicContact CD1-CE1 4.33Å; L20-F130 HydrophobicContact CD1-CE2 4.46Å; L20-F130 HydrophobicContact CD1-CZ 3.96Å; L20-Y182 WeakPolarHBondContact CA-OH 3.35Å; L20-Y182 HydrophobicContact CB-CD2 4.38Å; L20-Y182 HydrophobicContact CB-CE1 4.5Å; L20-Y182 HydrophobicContact CB-CE2 3.73Å; L20-Y182 HydrophobicContact CD1-CD2 3.7Å; L20-Y182 HydrophobicContact CD1-CE2 3.9Å; L20-Y182 HydrophobicContact CD1-CG 4.23Å; L20-Y182 HydrophobicContact CG-CD2 4.1Å; L20-Y182 HydrophobicContact CG-CE1 4.45Å; L20-Y182 HydrophobicContact CG-CE2 3.95Å; L20-Y182 HydrophobicContact CG-CG 4.43Å; L20-Y182 PolarHBondContact N-OH 3.36Å
21C96.6Very high95.6Very high0 Ų039.9 Ų39.90%020%0.202CC..Hα-helixtrans-64.8-44.8176.8-66.30000110.8I17 M18 Q19 R24 G25 Y26 V28 V62I17-C21 PolarHBondContact O-N 2.82Å; I17-C21 PolarHBondContact O-SG 2.85Å; M18-C21 PolarHBondContact O-N 2.86Å; Q19-C21 VanDerWaalsContact C-N 3.34Å; Q19-C21 PolarHBondContact O-N 2.98Å; C21-R24 PolarHBondContact O-N 2.78Å; C21-G25 PolarHBondContact O-N 3.11Å; C21-Y26 WeakPolarHBondContact O-CB 3.44Å; C21-Y26 WeakPolarHBondContact O-CD2 3.49Å; C21-Y26 PolarHBondContact O-N 3.3Å; C21-V28 HydrophobicContact CB-CG2 3.85Å; C21-V62 HydrophobicContact CB-CG1 4.38Å; C21-V62 HydrophobicContact CB-CG2 4.35Å
22H96.2Very high95.4Very high85 Ų8541.5 Ų41.539%0.39421%0.211SC..Hα-helixtrans-58.7-48.3175.5173.7-87.2000112.1M18 Q19 R24 G25 V28 L33M18-H22 WeakPolarHBondContact O-CB 3.48Å; M18-H22 PolarHBondContact O-N 3.19Å; Q19-H22 WeakPolarHBondContact O-CB 3.32Å; Q19-H22 PolarHBondContact O-N 2.88Å; H22-R24 PolarHBondContact O-N 3.01Å; H22-G25 WeakPolarHBondContact O-CA 3.32Å; H22-G25 PolarHBondContact O-N 2.74Å; H22-V28 HydrophobicContact CB-CB 4.24Å; H22-V28 HydrophobicContact CB-CG2 4.24Å; H22-L33 HydrophobicContact CB-CD1 4.48Å; H22-L33 HydrophobicContact CB-CD2 4.12Å
23D95.1Very high95.3Very high69 Ų6940.1 Ų40.137%0.36921%0.206SC..Hα-helixtrans-64.9-24179.9-68.2-10.9000112.9Q19 G25 Y182 F183Q19-D23 WeakPolarHBondContact O-CB 3.47Å; Q19-D23 PolarHBondContact O-N 3.03Å; D23-G25 VanDerWaalsContact C-N 3.26Å; D23-Y182 HydrophobicContact CB-CE1 3.92Å; D23-Y182 WeakPolarHBondContact OD2-CE1 3.47Å; D23-Y182 PolarHBondContact OD2-OH 3.15Å; D23-F183 HydrophobicContact CB-CE1 4.19Å
24R94.8Very high95.1Very high32 Ų3244.5 Ų44.512%0.12123%0.229CC..THydrogen-bonded Turntrans-82.92.1172-73.5-175.9-174.2-156.94.2113.6L20 C21 H22 Y26 E128 R181 Y182L20-R24 HydrophobicContact CD2-CG 4.46Å; L20-R24 WeakPolarHBondContact O-CB 3.33Å; L20-R24 VanDerWaalsContact O-CG 3.31Å; L20-R24 WeakPolarHBondContact O-CG 3.45Å; L20-R24 PolarHBondContact O-N 3.2Å; L20-R24 VanDerWaalsContact O-N 3.12Å; C21-R24 PolarHBondContact O-N 2.78Å; H22-R24 PolarHBondContact O-N 3.01Å; R24-Y26 HydrophobicContact CB-CD2 3.68Å; R24-Y26 HydrophobicContact CB-CE2 3.76Å; R24-E128 IonicContact CZ-OE2 3.33Å; R24-E128 VanDerWaalsContact CZ-OE2 3.28Å; R24-E128 IonicContact NH1-OE1 3.01Å; R24-E128 PolarHBondContact NH1-OE1 2.96Å; R24-E128 IonicContact NH1-OE2 3.49Å; R24-E128 PolarHBondContact NH1-OE2 3.11Å; R24-E128 IonicContact NH2-OE2 3.2Å; R24-E128 PolarHBondContact NH2-OE2 2.93Å; R24-R181 PolarHBondContact NH2-O 3.3Å; R24-Y182 PolarHBondContact NE-O 2.98Å; R24-Y182 PolarHBondContact NH2-O 2.99Å
25G93.9Very high95.1Very high21 Ų2144.7 Ų44.722%0.21623%0.231CC..THydrogen-bonded Turntrans85.414179.600000114.7C21 H22 D23 N65C21-G25 PolarHBondContact O-N 3.11Å; H22-G25 WeakPolarHBondContact O-CA 3.32Å; H22-G25 PolarHBondContact O-N 2.74Å; D23-G25 VanDerWaalsContact C-N 3.26Å; G25-N65 WeakPolarHBondContact O-CB 3.47Å; G25-N65 PolarHBondContact O-N 2.92Å; G25-N65 PolarHBondContact O-ND2 3.5Å
26Y95.9Very high95.2Very high7 Ų745.8 Ų45.83%0.02724%0.242CC..BIsolated β-bridgetrans-81.7148.1172.5-63.9-95000111.5C21 R24 V28 V62 A63 H64 M72 R101C21-Y26 WeakPolarHBondContact O-CB 3.44Å; C21-Y26 WeakPolarHBondContact O-CD2 3.49Å; C21-Y26 PolarHBondContact O-N 3.3Å; R24-Y26 HydrophobicContact CB-CD2 3.68Å; R24-Y26 HydrophobicContact CB-CE2 3.76Å; Y26-V28 PolarHBondContact O-N 3.13Å; Y26-V62 HydrophobicContact CD1-CB 4.16Å; Y26-V62 HydrophobicContact CD1-CG2 3.59Å; Y26-V62 HydrophobicContact CE1-CG2 4.24Å; Y26-V62 HydrophobicContact CG-CB 4.34Å; Y26-V62 HydrophobicContact CG-CG2 3.79Å; Y26-A63 CarbonylContact C-O 3.55Å; Y26-A63 WeakPolarHBondContact CA-O 3.27Å; Y26-H64 HydrophobicContact CD1-CB 4.21Å; Y26-H64 HydrophobicContact CE1-CB 4.22Å; Y26-M72 HydrophobicContact CD1-CB 4.39Å; Y26-M72 HydrophobicContact CD2-CE 3.99Å; Y26-M72 HydrophobicContact CE1-CB 3.62Å; Y26-M72 HydrophobicContact CE1-CE 4.35Å; Y26-M72 HydrophobicContact CE2-CE 3.67Å; Y26-M72 HydrophobicContact CE2-SD 4.26Å; Y26-M72 HydrophobicContact CG-CE 4.47Å; Y26-R101 VanDerWaalsContact OH-CD 3.27Å; Y26-R101 WeakPolarHBondContact OH-CD 3.42Å
27L94.4Very high95.1Very high113 Ų11347.4 Ų47.459%0.59225%0.25SC*.  trans-69.5110.7176.2-175.165.3000109.5A63 N65L27-A63 WeakPolarHBondContact CB-O 3.48Å; L27-A63 PolarHBondContact N-O 3.3Å; L27-N65 WeakPolarHBondContact CA-OD1 3.47Å; L27-N65 WeakPolarHBondContact CB-OD1 3.12Å; L27-N65 WeakPolarHBondContact CD1-OD1 3.36Å
28V94.9Very high95Very high14 Ų1453.1 Ų53.19%0.08528%0.277CS..  trans-130.9132.6173.7-177.60000107M18 C21 H22 Y26 E32 L33M18-V28 HydrophobicContact CB-CG1 4.05Å; M18-V28 HydrophobicContact SD-CG1 4.27Å; C21-V28 HydrophobicContact CB-CG2 3.85Å; H22-V28 HydrophobicContact CB-CB 4.24Å; H22-V28 HydrophobicContact CB-CG2 4.24Å; Y26-V28 PolarHBondContact O-N 3.13Å; V28-E32 HydrophobicContact CG1-CB 3.89Å; V28-L33 HydrophobicContact CG1-CD2 3.88Å; V28-L33 HydrophobicContact CG1-CG 3.92Å
29T93.7Very high94.9Very high70 Ų7058.1 Ų58.143%0.42930%0.3SS..  trans-75.8154-17861.30000111.4D31 E32 L33T29-D31 PolarHBondContact O-N 3.38Å; T29-E32 PolarHBondContact N-OE2 2.79Å; T29-E32 PolarHBondContact O-N 3.12Å; T29-E32 VanDerWaalsContact O-N 3.12Å; T29-E32 VanDerWaalsContact OG1-CD 3.3Å; T29-E32 WeakPolarHBondContact OG1-CG 3.5Å; T29-E32 PolarHBondContact OG1-N 3.32Å; T29-E32 PolarHBondContact OG1-OE2 3.18Å; T29-L33 PolarHBondContact O-N 2.9Å
30Q92.2Very high94.8Very high113 Ų11356.6 Ų56.653%0.52829%0.293SS..Hα-helixtrans-60.6-36.7177-167.462.535.300111.5E32 L33 D34Q30-E32 VanDerWaalsContact C-N 3.28Å; Q30-E32 PolarHBondContact O-N 2.88Å; Q30-L33 PolarHBondContact O-N 3.28Å; Q30-L33 VanDerWaalsContact O-N 3.13Å; Q30-D34 WeakPolarHBondContact CG-OD2 3.47Å; Q30-D34 VanDerWaalsContact NE2-CG 3.34Å; Q30-D34 PolarHBondContact NE2-OD2 2.59Å; Q30-D34 WeakPolarHBondContact O-CB 3.41Å; Q30-D34 PolarHBondContact O-N 3.36Å
31D93Very high94.7Very high136 Ų13658.4 Ų58.473%0.72730%0.301SS*.Hα-helixtrans-61.6-35.9176.9-62.3-14.1000111.9T29 Q35T29-D31 PolarHBondContact O-N 3.38Å; D31-Q35 WeakPolarHBondContact O-CA 3.38Å; D31-Q35 WeakPolarHBondContact O-CB 3.44Å; D31-Q35 PolarHBondContact O-N 2.83Å
32E92.2Very high94.5Very high67 Ų6763.6 Ų63.631%0.31334%0.337SS..Hα-helixtrans-71.9-33.5174.9-73.5168.9130.300112.9V28 T29 Q30V28-E32 HydrophobicContact CG1-CB 3.89Å; T29-E32 PolarHBondContact N-OE2 2.79Å; T29-E32 PolarHBondContact O-N 3.12Å; T29-E32 VanDerWaalsContact O-N 3.12Å; T29-E32 VanDerWaalsContact OG1-CD 3.3Å; T29-E32 WeakPolarHBondContact OG1-CG 3.5Å; T29-E32 PolarHBondContact OG1-N 3.32Å; T29-E32 PolarHBondContact OG1-OE2 3.18Å; Q30-E32 VanDerWaalsContact C-N 3.28Å; Q30-E32 PolarHBondContact O-N 2.88Å
33L93.8Very high94.3Very high17 Ų1765.4 Ų65.49%0.08935%0.345CS..Hα-helixtrans-73-41.3177-66.7173.2000111.7K15 M18 Q19 H22 V28 T29 Q30K15-L33 WeakPolarHBondContact CE-O 3.21Å; K15-L33 PolarHBondContact NZ-O 3.36Å; K15-L33 VanDerWaalsContact NZ-O 3.09Å; M18-L33 HydrophobicContact CB-CD2 4.11Å; Q19-L33 HydrophobicContact CG-CD2 4.15Å; H22-L33 HydrophobicContact CB-CD1 4.48Å; H22-L33 HydrophobicContact CB-CD2 4.12Å; V28-L33 HydrophobicContact CG1-CD2 3.88Å; V28-L33 HydrophobicContact CG1-CG 3.92Å; T29-L33 PolarHBondContact O-N 2.9Å; Q30-L33 PolarHBondContact O-N 3.28Å; Q30-L33 VanDerWaalsContact O-N 3.13Å
34D94.1Very high94.2Very high95 Ų9563.6 Ų63.651%0.50833%0.334SS..Hα-helixtrans-89.9-3.9-176.2-70.1-25.5000113.7Q30 T36Q30-D34 WeakPolarHBondContact CG-OD2 3.47Å; Q30-D34 VanDerWaalsContact NE2-CG 3.34Å; Q30-D34 PolarHBondContact NE2-OD2 2.59Å; Q30-D34 WeakPolarHBondContact O-CB 3.41Å; Q30-D34 PolarHBondContact O-N 3.36Å; D34-T36 PolarHBondContact O-N 2.95Å
35Q95.5Very high94Very high22 Ų2262.8 Ų62.810%0.10334%0.336CS..  trans-42.9121.9179.7-178.4172.461.100112.5W11 D31 E39 F40W11-Q35 PolarHBondContact NE1-O 3.41Å; D31-Q35 WeakPolarHBondContact O-CA 3.38Å; D31-Q35 WeakPolarHBondContact O-CB 3.44Å; D31-Q35 PolarHBondContact O-N 2.83Å; Q35-E39 HydrophobicContact CG-CB 4.15Å; Q35-F40 HydrophobicContact CG-CB 4.3Å
36T96.8Very high93.8Very high65 Ų6566.1 Ų66.140%0.39935%0.349SS..  trans-80.4162.9176.565.90000111.6W11 D34 E38 E39 F40W11-T36 PolarHBondContact NE1-O 3.24Å; D34-T36 PolarHBondContact O-N 2.95Å; T36-E38 VanDerWaalsContact C-N 3.27Å; T36-E38 PolarHBondContact O-N 3.47Å; T36-E39 WeakPolarHBondContact CB-OE2 3.48Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.31Å; T36-E39 PolarHBondContact N-OE2 2.96Å; T36-E39 PolarHBondContact O-N 3.12Å; T36-E39 VanDerWaalsContact OG1-CG 3.27Å; T36-E39 WeakPolarHBondContact OG1-CG 3.39Å; T36-E39 PolarHBondContact OG1-N 2.82Å; T36-E39 PolarHBondContact OG1-OE2 2.84Å; T36-F40 WeakPolarHBondContact O-CB 3.31Å; T36-F40 PolarHBondContact O-N 3.21Å
37L95.3Very high93.5Very high36 Ų3669.9 Ų69.919%0.18837%0.365CS..Hα-helixtrans-61-37.7176.7179.564.1000112.1T7 Y8 W11 F40 K41T7-L37 HydrophobicContact CG2-CD1 4.42Å; Y8-L37 HydrophobicContact CD2-CD1 4.47Å; Y8-L37 HydrophobicContact CD2-CD2 4.04Å; W11-L37 HydrophobicContact CB-CD1 3.76Å; W11-L37 HydrophobicContact CD2-CB 4.15Å; W11-L37 HydrophobicContact CD2-CD1 3.95Å; W11-L37 HydrophobicContact CE3-CB 4.38Å; W11-L37 HydrophobicContact CE3-CD1 4.09Å; W11-L37 HydrophobicContact CG-CD1 3.82Å; L37-F40 WeakPolarHBondContact O-CB 3.33Å; L37-F40 PolarHBondContact O-N 2.96Å; L37-K41 HydrophobicContact CG-CD 4.39Å; L37-K41 VanDerWaalsContact O-CG 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.33Å; L37-K41 PolarHBondContact O-N 2.91Å
38E95.4Very high92.9Very high120 Ų12065.7 Ų65.756%0.56135%0.345SS*.Hα-helixtrans-71.3-38.8-178.8-64.6-55.7128.800111.9T36 F40 K41 S42T36-E38 VanDerWaalsContact C-N 3.27Å; T36-E38 PolarHBondContact O-N 3.47Å; E38-F40 VanDerWaalsContact C-N 3.34Å; E38-K41 PolarHBondContact O-N 2.94Å; E38-K41 IonicContact OE1-NZ 3.58Å; E38-K41 PolarHBondContact OE1-NZ 3.22Å; E38-S42 WeakPolarHBondContact O-CB 3.43Å; E38-S42 PolarHBondContact O-N 3.24Å
39E95.3Very high92.3Very high107 Ų10769.2 Ų69.250%0.537%0.37SS..Hα-helixtrans-63.9-41.2171.9-71.8160.8156.600111.4Q35 T36 S42 Q43Q35-E39 HydrophobicContact CG-CB 4.15Å; T36-E39 WeakPolarHBondContact CB-OE2 3.48Å; T36-E39 WeakPolarHBondContact CG2-OE2 3.31Å; T36-E39 PolarHBondContact N-OE2 2.96Å; T36-E39 PolarHBondContact O-N 3.12Å; T36-E39 VanDerWaalsContact OG1-CG 3.27Å; T36-E39 WeakPolarHBondContact OG1-CG 3.39Å; T36-E39 PolarHBondContact OG1-N 2.82Å; T36-E39 PolarHBondContact OG1-OE2 2.84Å; E39-S42 PolarHBondContact O-N 3.34Å; E39-Q43 WeakPolarHBondContact O-CB 3.44Å; E39-Q43 PolarHBondContact O-N 2.92Å
40F95.3Very high91.9Very high0 Ų071.9 Ų71.90%038%0.378CS..Hα-helixtrans-60.5-46.7174.5177.5-90.2000111.7T7 L10 W11 Q35 T36 L37 E38 S42 Q43 F44 P53 L58T7-F40 HydrophobicContact CG2-CD1 4.22Å; T7-F40 HydrophobicContact CG2-CE1 4.08Å; L10-F40 HydrophobicContact CB-CZ 4.2Å; W11-F40 HydrophobicContact CB-CB 4.42Å; W11-F40 HydrophobicContact CB-CD1 3.73Å; W11-F40 HydrophobicContact CB-CD2 4.24Å; W11-F40 HydrophobicContact CB-CE1 3.98Å; W11-F40 HydrophobicContact CB-CE2 4.47Å; W11-F40 HydrophobicContact CB-CG 3.86Å; W11-F40 HydrophobicContact CB-CZ 4.34Å; W11-F40 AromaticContact CD1-CD2 3.98Å; W11-F40 AromaticContact CD1-CG 3.7Å; W11-F40 HydrophobicContact CG-CB 4.21Å; W11-F40 HydrophobicContact CG-CD1 4.4Å; W11-F40 HydrophobicContact CG-CG 4.14Å; Q35-F40 HydrophobicContact CG-CB 4.3Å; T36-F40 WeakPolarHBondContact O-CB 3.31Å; T36-F40 PolarHBondContact O-N 3.21Å; L37-F40 WeakPolarHBondContact O-CB 3.33Å; L37-F40 PolarHBondContact O-N 2.96Å; E38-F40 VanDerWaalsContact C-N 3.34Å; F40-S42 VanDerWaalsContact C-N 3.32Å; F40-S42 PolarHBondContact O-N 2.89Å; F40-Q43 PolarHBondContact O-N 3.06Å; F40-F44 AromaticContact CD2-CD2 3.48Å; F40-F44 HydrophobicContact CD2-CD2 3.48Å; F40-F44 VanDerWaalsContact CD2-CD2 3.48Å; F40-F44 AromaticContact CD2-CE2 3.76Å; F40-F44 HydrophobicContact CD2-CE2 3.76Å; F40-F44 AromaticContact CE2-CD2 3.48Å; F40-F44 HydrophobicContact CE2-CD2 3.48Å; F40-F44 VanDerWaalsContact CE2-CD2 3.48Å; F40-F44 AromaticContact CE2-CE2 3.84Å; F40-F44 HydrophobicContact CE2-CE2 3.84Å; F40-F44 HydrophobicContact CE2-CG 4.28Å; F40-F44 HydrophobicContact CG-CD2 4.1Å; F40-F44 HydrophobicContact CZ-CD2 4.1Å; F40-F44 WeakPolarHBondContact O-CD2 3.48Å; F40-F44 PolarHBondContact O-N 2.88Å; F40-P53 HydrophobicContact CE1-CG 4.24Å; F40-P53 HydrophobicContact CZ-CG 4.34Å; F40-L58 HydrophobicContact CE2-CD2 3.72Å; F40-L58 HydrophobicContact CZ-CD2 3.75Å
41K93.9Very high91.4Very high38 Ų3867.8 Ų67.817%0.16537%0.365CS..Hα-helixtrans-60.3-41.5174.7-75.2172.9-178.2171.30111.8T7 L37 E38 Q43 G45 D46T7-K41 HydrophobicContact CG2-CG 3.84Å; L37-K41 HydrophobicContact CG-CD 4.39Å; L37-K41 VanDerWaalsContact O-CG 3.32Å; L37-K41 WeakPolarHBondContact O-CG 3.33Å; L37-K41 PolarHBondContact O-N 2.91Å; E38-K41 PolarHBondContact O-N 2.94Å; E38-K41 IonicContact OE1-NZ 3.58Å; E38-K41 PolarHBondContact OE1-NZ 3.22Å; K41-Q43 VanDerWaalsContact C-N 3.28Å; K41-Q43 PolarHBondContact O-N 3.4Å; K41-G45 WeakPolarHBondContact CA-O 3.34Å; K41-G45 CarbonylContact O-C 3.45Å; K41-G45 WeakPolarHBondContact O-CA 3.44Å; K41-G45 PolarHBondContact O-N 2.92Å; K41-D46 HydrophobicContact CB-CB 4.25Å; K41-D46 HydrophobicContact CD-CB 4.12Å; K41-D46 HydrophobicContact CG-CB 3.93Å
42S93.6Very high91Very high108 Ų10869.5 Ų69.576%0.75536%0.362SS*.Hα-helixtrans-64.4-34.1176.9-174.20000112.4E38 E39 F40E38-S42 WeakPolarHBondContact O-CB 3.43Å; E38-S42 PolarHBondContact O-N 3.24Å; E39-S42 PolarHBondContact O-N 3.34Å; F40-S42 VanDerWaalsContact C-N 3.32Å; F40-S42 PolarHBondContact O-N 2.89Å
43Q92.1Very high90.6Very high123 Ų12366.5 Ų66.558%0.57535%0.348SS*.Hα-helixtrans-82.7-42.8-177.2-173.7176.314.700112.7E39 F40 K41E39-Q43 WeakPolarHBondContact O-CB 3.44Å; E39-Q43 PolarHBondContact O-N 2.92Å; F40-Q43 PolarHBondContact O-N 3.06Å; K41-Q43 VanDerWaalsContact C-N 3.28Å; K41-Q43 PolarHBondContact O-N 3.4Å
44F92.3Very high90.4Very high31 Ų3171.8 Ų71.814%0.13637%0.367CS..Hα-helixtrans-116.6-12-170.9-53.8-82000114.6F40 R52 P53 D57 L58F40-F44 AromaticContact CD2-CD2 3.48Å; F40-F44 HydrophobicContact CD2-CD2 3.48Å; F40-F44 VanDerWaalsContact CD2-CD2 3.48Å; F40-F44 AromaticContact CD2-CE2 3.76Å; F40-F44 HydrophobicContact CD2-CE2 3.76Å; F40-F44 AromaticContact CE2-CD2 3.48Å; F40-F44 HydrophobicContact CE2-CD2 3.48Å; F40-F44 VanDerWaalsContact CE2-CD2 3.48Å; F40-F44 AromaticContact CE2-CE2 3.84Å; F40-F44 HydrophobicContact CE2-CE2 3.84Å; F40-F44 HydrophobicContact CE2-CG 4.28Å; F40-F44 HydrophobicContact CG-CD2 4.1Å; F40-F44 HydrophobicContact CZ-CD2 4.1Å; F40-F44 WeakPolarHBondContact O-CD2 3.48Å; F40-F44 PolarHBondContact O-N 2.88Å; F44-R52 CarbonylContact O-C 3.6Å; F44-P53 HydrophobicContact CB-CB 3.75Å; F44-P53 WeakPolarHBondContact O-CA 3.4Å; F44-D57 HydrophobicContact CD1-CB 4.38Å; F44-D57 WeakPolarHBondContact CE1-O 3.44Å; F44-L58 HydrophobicContact CD1-CD2 4Å; F44-L58 HydrophobicContact CD2-CD2 4.29Å; F44-L58 HydrophobicContact CE1-CD2 4.21Å; F44-L58 HydrophobicContact CE2-CD2 4.49Å; F44-L58 HydrophobicContact CG-CD2 4.05Å; F44-L58 HydrophobicContact CZ-CD2 4.45Å
45G91.1Very high90.2Very high15 Ų1568.8 Ų68.816%0.15535%0.349CS..  trans102172.6-176.900000114.1K41 R52 P53K41-G45 WeakPolarHBondContact CA-O 3.34Å; K41-G45 CarbonylContact O-C 3.45Å; K41-G45 WeakPolarHBondContact O-CA 3.44Å; K41-G45 PolarHBondContact O-N 2.92Å; G45-R52 CarbonylContact C-O 3.58Å; G45-P53 WeakPolarHBondContact O-CD 3.27Å
46D89.6Confident89.9Confident91 Ų9170.8 Ų70.849%0.48736%0.362SS..SBendtrans-1264.7-174.564-21.6000113.7T7 K41 P48 R52T7-D46 PolarHBondContact OG1-O 3.06Å; K41-D46 HydrophobicContact CB-CB 4.25Å; K41-D46 HydrophobicContact CD-CB 4.12Å; K41-D46 HydrophobicContact CG-CB 3.93Å; D46-P48 WeakPolarHBondContact O-CD 3.28Å; D46-R52 PolarHBondContact N-O 2.84Å
47K88.5Confident89.5Confident86 Ų8670.8 Ų70.837%0.37436%0.36SS..BIsolated β-bridgetrans-125.679.4-179.4-65-175.7-178.8-179.70112.2S49 E50 G51 R52K47-S49 PolarHBondContact O-N 3.06Å; K47-E50 HydrophobicContact CB-CB 4.16Å; K47-E50 HydrophobicContact CB-CG 4.24Å; K47-E50 HydrophobicContact CD-CG 4.17Å; K47-E50 WeakPolarHBondContact CD-OE1 3.29Å; K47-E50 IonicContact NZ-OE1 3.8Å; K47-E50 PolarHBondContact NZ-OE1 3.06Å; K47-E50 IonicContact NZ-OE2 2.87Å; K47-E50 PolarHBondContact O-N 3.46Å; K47-G51 PolarHBondContact O-N 3.12Å; K47-R52 CarbonylContact C-O 3.47Å; K47-R52 WeakPolarHBondContact CA-O 3.18Å; K47-R52 PolarHBondContact N-O 3.27Å; K47-R52 CarbonylContact O-C 3.54Å; K47-R52 PolarHBondContact O-N 2.82Å
48P82.8Confident89.4Confident26 Ų2669 Ų6917%0.16935%0.351CS..G310 helixtrans-54.3-32.3174.3-26.234000113.2E6 T7 D46 E50 G51E6-P48 HydrophobicContact CB-CB 4.41Å; E6-P48 HydrophobicContact CB-CG 4.1Å; E6-P48 HydrophobicContact CG-CB 4.09Å; E6-P48 HydrophobicContact CG-CG 4.15Å; T7-P48 WeakPolarHBondContact OG1-CD 3.4Å; T7-P48 VanDerWaalsContact OG1-CG 3.27Å; T7-P48 WeakPolarHBondContact OG1-CG 3.21Å; D46-P48 WeakPolarHBondContact O-CD 3.28Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.38Å; P48-G51 WeakPolarHBondContact O-CA 3.39Å; P48-G51 PolarHBondContact O-N 2.92Å
49S82.2Confident89.3Confident87 Ų8765.1 Ų65.161%0.60834%0.335SS*.G310 helixtrans-60.4-32.4175.466.60000114.1D3 K47 G51D3-S49 VanDerWaalsContact CG-OG 3.27Å; D3-S49 WeakPolarHBondContact OD1-CB 3.41Å; D3-S49 PolarHBondContact OD1-N 3.27Å; D3-S49 PolarHBondContact OD1-OG 2.92Å; D3-S49 WeakPolarHBondContact OD2-CB 3.24Å; D3-S49 PolarHBondContact OD2-OG 2.85Å; K47-S49 PolarHBondContact O-N 3.06Å; S49-G51 VanDerWaalsContact C-N 3.26Å
50E84.9Confident89.2Confident127 Ų12760.9 Ų60.959%0.59332%0.317SS*.G310 helixtrans-88.64.2174.1-63.4-178.8-163.900111.8K47 P48K47-E50 HydrophobicContact CB-CB 4.16Å; K47-E50 HydrophobicContact CB-CG 4.24Å; K47-E50 HydrophobicContact CD-CG 4.17Å; K47-E50 WeakPolarHBondContact CD-OE1 3.29Å; K47-E50 IonicContact NZ-OE1 3.8Å; K47-E50 PolarHBondContact NZ-OE1 3.06Å; K47-E50 IonicContact NZ-OE2 2.87Å; K47-E50 PolarHBondContact O-N 3.46Å; P48-E50 VanDerWaalsContact C-N 3.27Å; P48-E50 PolarHBondContact O-N 3.38Å
51G81.9Confident89.2Confident26 Ų2664.4 Ų64.427%0.26834%0.335SS..THydrogen-bonded Turntrans73.938.1-175.400000112.6K47 P48 S49 R54K47-G51 PolarHBondContact O-N 3.12Å; P48-G51 WeakPolarHBondContact O-CA 3.39Å; P48-G51 PolarHBondContact O-N 2.92Å; S49-G51 VanDerWaalsContact C-N 3.26Å; G51-R54 WeakPolarHBondContact O-CG 3.39Å; G51-R54 PolarHBondContact O-N 2.81Å
52R84.1Confident89.3Confident172 Ų17263 Ų6365%0.64933%0.329SS*.BIsolated β-bridgetrans-142.495.4175.9-65-173.6-179.5-171.1-0.4110.3F44 G45 D46 K47F44-R52 CarbonylContact O-C 3.6Å; G45-R52 CarbonylContact C-O 3.58Å; D46-R52 PolarHBondContact N-O 2.84Å; K47-R52 CarbonylContact C-O 3.47Å; K47-R52 WeakPolarHBondContact CA-O 3.18Å; K47-R52 PolarHBondContact N-O 3.27Å; K47-R52 CarbonylContact O-C 3.54Å; K47-R52 PolarHBondContact O-N 2.82Å
53P84.6Confident89.3Confident5 Ų559.2 Ų59.23%0.03230%0.304CS..SBendcis-76.2143.6929.4-38.3000114L10 F40 F44 G45 L58L10-P53 HydrophobicContact CD1-CG 3.62Å; F40-P53 HydrophobicContact CE1-CG 4.24Å; F40-P53 HydrophobicContact CZ-CG 4.34Å; F44-P53 HydrophobicContact CB-CB 3.75Å; F44-P53 WeakPolarHBondContact O-CA 3.4Å; G45-P53 WeakPolarHBondContact O-CD 3.27Å; P53-L58 HydrophobicContact CB-CD2 4.33Å
54R88.1Confident89.4Confident127 Ų12755.1 Ų55.148%0.47929%0.285SS..  trans-81.1144.3155.8-56.2177.3-73.8-165.20.7108.5G51 T56 D57G51-R54 WeakPolarHBondContact O-CG 3.39Å; G51-R54 PolarHBondContact O-N 2.81Å; R54-T56 WeakPolarHBondContact CB-OG1 3.29Å; R54-T56 PolarHBondContact O-N 3.03Å; R54-D57 WeakPolarHBondContact CB-OD2 3.28Å; R54-D57 IonicContact CZ-OD1 3.67Å; R54-D57 IonicContact CZ-OD2 3.97Å; R54-D57 PolarHBondContact N-OD2 3.19Å; R54-D57 IonicContact NE-OD1 3.38Å; R54-D57 IonicContact NE-OD2 2.79Å; R54-D57 PolarHBondContact NE-OD2 3.01Å; R54-D57 IonicContact NH2-OD1 2.77Å; R54-D57 PolarHBondContact NH2-OD1 2.81Å; R54-D57 IonicContact NH2-OD2 3.28Å; R54-D57 WeakPolarHBondContact O-CB 3.39Å; R54-D57 PolarHBondContact O-N 3.01Å
55R89.9Confident89.3Confident33 Ų3357.8 Ų57.813%0.12530%0.301CS..G310 helixtrans-56.8-36.5173.3-75.8-170.8161.891.44.9111.3E6 L10 D57 L58 F76 P77 E78 Q107E6-R55 IonicContact OE1-CZ 3.57Å; E6-R55 IonicContact OE1-NH1 3.03Å; E6-R55 IonicContact OE1-NH2 3.72Å; E6-R55 PolarHBondContact OE1-NH2 2.91Å; L10-R55 HydrophobicContact CD2-CG 4.22Å; R55-D57 VanDerWaalsContact C-N 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å; R55-L58 WeakPolarHBondContact O-CB 3.49Å; R55-L58 PolarHBondContact O-N 3.09Å; R55-F76 CarbonylContact C-O 3.58Å; R55-F76 HydrophobicContact CB-CB 3.99Å; R55-F76 WeakPolarHBondContact CB-O 3.33Å; R55-F76 WeakPolarHBondContact O-CB 3.47Å; R55-P77 WeakPolarHBondContact CD-O 3.46Å; R55-E78 HydrophobicContact CB-CG 4.06Å; R55-Q107 VanDerWaalsContact CZ-NE2 3.28Å
56T89.8Confident89.2Confident63 Ų6363.9 Ų63.939%0.38733%0.33SS..G310 helixtrans-56.7-37.9175.941.10000113.5R54 L58 T59 E78R54-T56 WeakPolarHBondContact CB-OG1 3.29Å; R54-T56 PolarHBondContact O-N 3.03Å; T56-L58 PolarHBondContact O-N 2.83Å; T56-T59 VanDerWaalsContact O-CB 3.3Å; T56-T59 WeakPolarHBondContact O-CB 3.42Å; T56-T59 PolarHBondContact O-N 3.45Å; T56-T59 PolarHBondContact O-OG1 3.01Å; T56-E78 HydrophobicContact CG2-CG 4.21Å; T56-E78 WeakPolarHBondContact CG2-OE1 3.49Å; T56-E78 PolarHBondContact OG1-OE1 2.77Å
57D89.5Confident89.2Confident65 Ų6563 Ų6335%0.34833%0.325SS..G310 helixtrans-69.8-17.5178.9-56.3-40.6000112.4F44 R54 R55 T59F44-D57 HydrophobicContact CD1-CB 4.38Å; F44-D57 WeakPolarHBondContact CE1-O 3.44Å; R54-D57 WeakPolarHBondContact CB-OD2 3.28Å; R54-D57 IonicContact CZ-OD1 3.67Å; R54-D57 IonicContact CZ-OD2 3.97Å; R54-D57 PolarHBondContact N-OD2 3.19Å; R54-D57 IonicContact NE-OD1 3.38Å; R54-D57 IonicContact NE-OD2 2.79Å; R54-D57 PolarHBondContact NE-OD2 3.01Å; R54-D57 IonicContact NH2-OD1 2.77Å; R54-D57 PolarHBondContact NH2-OD1 2.81Å; R54-D57 IonicContact NH2-OD2 3.28Å; R54-D57 WeakPolarHBondContact O-CB 3.39Å; R54-D57 PolarHBondContact O-N 3.01Å; R55-D57 VanDerWaalsContact C-N 3.27Å; R55-D57 PolarHBondContact O-N 2.77Å; D57-T59 VanDerWaalsContact C-N 3.32Å
58L92.4Very high89Confident0 Ų063.3 Ų63.30%034%0.336CS..G310 helixtrans-84-7.6175.9-53.4-180000113.1L10 R14 F40 F44 P53 R55 T56 V60 F76L10-L58 HydrophobicContact CB-CD1 4.08Å; L10-L58 HydrophobicContact CD1-CD1 4.39Å; L10-L58 HydrophobicContact CD2-CD1 3.93Å; L10-L58 HydrophobicContact CG-CD1 4.36Å; R14-L58 PolarHBondContact NH1-O 3.46Å; F40-L58 HydrophobicContact CE2-CD2 3.72Å; F40-L58 HydrophobicContact CZ-CD2 3.75Å; F44-L58 HydrophobicContact CD1-CD2 4Å; F44-L58 HydrophobicContact CD2-CD2 4.29Å; F44-L58 HydrophobicContact CE1-CD2 4.21Å; F44-L58 HydrophobicContact CE2-CD2 4.49Å; F44-L58 HydrophobicContact CG-CD2 4.05Å; F44-L58 HydrophobicContact CZ-CD2 4.45Å; P53-L58 HydrophobicContact CB-CD2 4.33Å; R55-L58 WeakPolarHBondContact O-CB 3.49Å; R55-L58 PolarHBondContact O-N 3.09Å; T56-L58 PolarHBondContact O-N 2.83Å; L58-V60 PolarHBondContact O-N 3.36Å; L58-F76 HydrophobicContact CB-CB 4.36Å; L58-F76 HydrophobicContact CB-CD1 4.36Å; L58-F76 HydrophobicContact CB-CD2 3.82Å; L58-F76 HydrophobicContact CB-CE2 4.15Å; L58-F76 HydrophobicContact CB-CG 3.95Å; L58-F76 HydrophobicContact CD1-CD1 4.47Å; L58-F76 WeakPolarHBondContact O-CD2 3.33Å; L58-F76 WeakPolarHBondContact O-CE2 3.44Å
59T93.6Very high89.3Confident38 Ų3867.6 Ų67.623%0.23336%0.362CS..  trans-60.7127.6177.4-58.70000109.7T56 D57 V74 F75T56-T59 VanDerWaalsContact O-CB 3.3Å; T56-T59 WeakPolarHBondContact O-CB 3.42Å; T56-T59 PolarHBondContact O-N 3.45Å; T56-T59 PolarHBondContact O-OG1 3.01Å; D57-T59 VanDerWaalsContact C-N 3.32Å; T59-V74 VanDerWaalsContact CA-O 3.26Å; T59-V74 WeakPolarHBondContact CA-O 3.5Å; T59-V74 WeakPolarHBondContact CG2-O 3.49Å; T59-F75 HydrophobicContact CG2-CD1 3.5Å; T59-F75 HydrophobicContact CG2-CE1 3.83Å; T59-F75 HydrophobicContact CG2-CG 4.48Å
60V93.9Very high89.7Confident18 Ų1865 Ų6511%0.10934%0.341CS..EExtended strand (participates in β ladder)trans-124.9150.6179.763.40000110.8M18 L58 V62 V74M18-V60 HydrophobicContact CE-CB 4.17Å; M18-V60 HydrophobicContact CE-CG1 3.9Å; M18-V60 HydrophobicContact CE-CG2 4.08Å; L58-V60 PolarHBondContact O-N 3.36Å; V60-V62 HydrophobicContact CG2-CG1 4.14Å; V60-V74 HydrophobicContact CG1-CB 3.82Å; V60-V74 HydrophobicContact CG1-CG2 4.03Å; V60-V74 PolarHBondContact N-O 3.45Å; V60-V74 VanDerWaalsContact N-O 3.14Å; V60-V74 PolarHBondContact O-N 2.82Å
61L94.8Very high90.2Very high74 Ų7461.9 Ų61.939%0.38733%0.327SS..EExtended strand (participates in β ladder)trans-112125.9169.2175.360.4000107.9Q71 F73 I99L61-Q71 HydrophobicContact CD1-CB 4.12Å; L61-F73 HydrophobicContact CB-CD1 4.15Å; L61-F73 HydrophobicContact CB-CE1 3.94Å; L61-F73 HydrophobicContact CD1-CD1 4.06Å; L61-F73 HydrophobicContact CD1-CE1 4.02Å; L61-F73 HydrophobicContact CD1-CG 4.29Å; L61-F73 HydrophobicContact CD1-CZ 4.25Å; L61-F73 HydrophobicContact CD2-CE1 4.46Å; L61-F73 HydrophobicContact CG-CE1 4.37Å; L61-I99 HydrophobicContact CD1-CD1 3.35Å; L61-I99 HydrophobicContact CD2-CD1 4.21Å; L61-I99 HydrophobicContact CG-CD1 4.43Å
62V94.9Very high90.9Very high8 Ų860.7 Ų60.75%0.04831%0.314CS..EExtended strand (participates in β ladder)trans-119.5146.6177.1-63.70000110.2C21 Y26 V60 Q71 M72C21-V62 HydrophobicContact CB-CG1 4.38Å; C21-V62 HydrophobicContact CB-CG2 4.35Å; Y26-V62 HydrophobicContact CD1-CB 4.16Å; Y26-V62 HydrophobicContact CD1-CG2 3.59Å; Y26-V62 HydrophobicContact CE1-CG2 4.24Å; Y26-V62 HydrophobicContact CG-CB 4.34Å; Y26-V62 HydrophobicContact CG-CG2 3.79Å; V60-V62 HydrophobicContact CG2-CG1 4.14Å; V62-Q71 CarbonylContact O-C 3.6Å; V62-Q71 WeakPolarHBondContact O-CA 3.43Å; V62-M72 HydrophobicContact CG2-CB 4Å; V62-M72 HydrophobicContact CG2-CE 3.87Å; V62-M72 WeakPolarHBondContact CG2-O 3.41Å; V62-M72 PolarHBondContact N-O 2.86Å; V62-M72 PolarHBondContact O-N 3.15Å
63A94.9Very high91.5Very high28 Ų2853.6 Ų53.623%0.23129%0.288CS..EExtended strand (participates in β ladder)trans-115.2144.1178.400000110.4Y26 L27 Q71Y26-A63 CarbonylContact C-O 3.55Å; Y26-A63 WeakPolarHBondContact CA-O 3.27Å; L27-A63 WeakPolarHBondContact CB-O 3.48Å; L27-A63 PolarHBondContact N-O 3.3Å; A63-Q71 HydrophobicContact CB-CG 4.03Å
64H94.1Very high92.1Very high37 Ų3753.4 Ų53.417%0.17129%0.287CS..BIsolated β-bridgetrans-72.6144.8-178.3-164.7-91.3000111.8Y26 D66 D67 D70Y26-H64 HydrophobicContact CD1-CB 4.21Å; Y26-H64 HydrophobicContact CE1-CB 4.22Å; H64-D66 IonicContact CE1-OD2 3.73Å; H64-D66 PolarHBondContact CE1-OD2 2.91Å; H64-D66 PolarHBondContact ND1-N 3.18Å; H64-D66 VanDerWaalsContact ND1-N 3.13Å; H64-D66 IonicContact ND1-OD2 3.99Å; H64-D67 WeakPolarHBondContact CB-O 3.38Å; H64-D67 CarbonylContact O-C 3.51Å; H64-D70 HydrophobicContact CB-CB 3.94Å; H64-D70 VanDerWaalsContact CB-O 3.32Å; H64-D70 WeakPolarHBondContact CB-O 3.31Å; H64-D70 PolarHBondContact N-O 2.87Å
65N90.3Very high92.6Very high87 Ų8747.3 Ų47.347%0.46526%0.264SS..SBendtrans-65.8-41.4-179.2-78.1-35.8000112.6G25 L27G25-N65 WeakPolarHBondContact O-CB 3.47Å; G25-N65 PolarHBondContact O-N 2.92Å; G25-N65 PolarHBondContact O-ND2 3.5Å; L27-N65 WeakPolarHBondContact CA-OD1 3.47Å; L27-N65 WeakPolarHBondContact CB-OD1 3.12Å; L27-N65 WeakPolarHBondContact CD1-OD1 3.36Å
66D88.7Confident92.9Very high144 Ų14446 Ų4677%0.7726%0.259SS*.SBendtrans-83.5-25.6-177.3-58.1-39.2000113.5H64H64-D66 IonicContact CE1-OD2 3.73Å; H64-D66 PolarHBondContact CE1-OD2 2.91Å; H64-D66 PolarHBondContact ND1-N 3.18Å; H64-D66 VanDerWaalsContact ND1-N 3.13Å; H64-D66 IonicContact ND1-OD2 3.99Å
67D88.5Confident93.1Very high71 Ų7143 Ų4338%0.3824%0.241SC..  trans-141.498.8-176.1-175.4-5.9000110.3H64 T69 D70H64-D67 WeakPolarHBondContact CB-O 3.38Å; H64-D67 CarbonylContact O-C 3.51Å; D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.39Å; D67-T69 WeakPolarHBondContact OD1-CA 3.42Å; D67-T69 WeakPolarHBondContact OD1-CB 3.4Å; D67-T69 PolarHBondContact OD1-N 3.45Å; D67-T69 PolarHBondContact OD1-OG1 3.01Å; D67-T69 PolarHBondContact OD2-OG1 3.35Å; D67-D70 HydrophobicContact CB-CB 4.29Å; D67-D70 PolarHBondContact O-N 3.3Å
68P85.8Confident93.2Very high94 Ų9445 Ų4561%0.6125%0.248SC*.THydrogen-bonded Turntrans-61-15179-24.834.7000114.5
69T88.3Confident93.2Very high116 Ų11648.2 Ų48.271%0.71226%0.263SS*.THydrogen-bonded Turntrans-83.2-20.917575.40000112.6D67 Q71D67-T69 VanDerWaalsContact CG-OG1 3.27Å; D67-T69 PolarHBondContact O-N 3.39Å; D67-T69 WeakPolarHBondContact OD1-CA 3.42Å; D67-T69 WeakPolarHBondContact OD1-CB 3.4Å; D67-T69 PolarHBondContact OD1-N 3.45Å; D67-T69 PolarHBondContact OD1-OG1 3.01Å; D67-T69 PolarHBondContact OD2-OG1 3.35Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 VanDerWaalsContact O-N 3.15Å
70D90.8Very high93.1Very high31 Ų3149.6 Ų49.617%0.16627%0.273CS..  trans-81.193.2169.8-162.4-4.8000108.9H64 D67 R101H64-D70 HydrophobicContact CB-CB 3.94Å; H64-D70 VanDerWaalsContact CB-O 3.32Å; H64-D70 WeakPolarHBondContact CB-O 3.31Å; H64-D70 PolarHBondContact N-O 2.87Å; D67-D70 HydrophobicContact CB-CB 4.29Å; D67-D70 PolarHBondContact O-N 3.3Å; D70-R101 WeakPolarHBondContact OD1-CD 3.36Å; D70-R101 IonicContact OD1-CZ 3.53Å; D70-R101 IonicContact OD1-NE 3.62Å; D70-R101 PolarHBondContact OD1-NE 3.3Å; D70-R101 IonicContact OD2-CZ 3.02Å; D70-R101 IonicContact OD2-NE 3.51Å; D70-R101 PolarHBondContact OD2-NE 2.89Å; D70-R101 IonicContact OD2-NH2 2.83Å; D70-R101 PolarHBondContact OD2-NH2 2.75Å
71Q94.9Very high93.1Very high62 Ų6254.5 Ų54.529%0.2929%0.292SS..EExtended strand (participates in β ladder)trans-108.8151.7176.6-70.3-176.2-19.500110.6L61 V62 A63 T69 I99L61-Q71 HydrophobicContact CD1-CB 4.12Å; V62-Q71 CarbonylContact O-C 3.6Å; V62-Q71 WeakPolarHBondContact O-CA 3.43Å; A63-Q71 HydrophobicContact CB-CG 4.03Å; T69-Q71 PolarHBondContact O-N 3.34Å; T69-Q71 VanDerWaalsContact O-N 3.15Å; Q71-I99 HydrophobicContact CB-CD1 4.13Å; Q71-I99 HydrophobicContact CB-CG1 3.89Å; Q71-I99 WeakPolarHBondContact O-CG2 3.43Å
72M96.6Very high93.2Very high2 Ų251 Ų511%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-137.4130.6-179.1-178175.166.700111.3Y26 V62 R101 I103Y26-M72 HydrophobicContact CD1-CB 4.39Å; Y26-M72 HydrophobicContact CD2-CE 3.99Å; Y26-M72 HydrophobicContact CE1-CB 3.62Å; Y26-M72 HydrophobicContact CE1-CE 4.35Å; Y26-M72 HydrophobicContact CE2-CE 3.67Å; Y26-M72 HydrophobicContact CE2-SD 4.26Å; Y26-M72 HydrophobicContact CG-CE 4.47Å; V62-M72 HydrophobicContact CG2-CB 4Å; V62-M72 HydrophobicContact CG2-CE 3.87Å; V62-M72 WeakPolarHBondContact CG2-O 3.41Å; V62-M72 PolarHBondContact N-O 2.86Å; V62-M72 PolarHBondContact O-N 3.15Å; M72-R101 WeakPolarHBondContact CA-O 3.44Å; M72-R101 HydrophobicContact CB-CB 4Å; M72-R101 HydrophobicContact CG-CB 3.84Å; M72-R101 HydrophobicContact SD-CB 4.42Å; M72-I103 HydrophobicContact CE-CD1 3.8Å; M72-I103 HydrophobicContact SD-CD1 3.83Å; M72-I103 HydrophobicContact SD-CG1 3.96Å
73F97.4Very high93.2Very high23 Ų2351.3 Ų51.310%0.10128%0.279CS..EExtended strand (participates in β ladder)trans-84.2146.1169.2-85.9-63.7000111.8L61 F75 M94 E97 I99 R101 A102 I103L61-F73 HydrophobicContact CB-CD1 4.15Å; L61-F73 HydrophobicContact CB-CE1 3.94Å; L61-F73 HydrophobicContact CD1-CD1 4.06Å; L61-F73 HydrophobicContact CD1-CE1 4.02Å; L61-F73 HydrophobicContact CD1-CG 4.29Å; L61-F73 HydrophobicContact CD1-CZ 4.25Å; L61-F73 HydrophobicContact CD2-CE1 4.46Å; L61-F73 HydrophobicContact CG-CE1 4.37Å; F73-F75 HydrophobicContact CB-CD2 4.05Å; F73-F75 HydrophobicContact CB-CE1 4.22Å; F73-F75 HydrophobicContact CB-CE2 3.46Å; F73-F75 VanDerWaalsContact CB-CE2 3.46Å; F73-F75 HydrophobicContact CB-CZ 3.55Å; F73-F75 HydrophobicContact CD1-CE1 4.05Å; F73-F75 AromaticContact CD1-CZ 3.93Å; F73-F75 HydrophobicContact CD1-CZ 3.93Å; F73-F75 HydrophobicContact CD2-CE2 4.24Å; F73-F75 AromaticContact CD2-CZ 3.74Å; F73-F75 HydrophobicContact CD2-CZ 3.74Å; F73-F75 HydrophobicContact CE2-CZ 4.37Å; F73-F75 HydrophobicContact CG-CE1 4.06Å; F73-F75 AromaticContact CG-CE2 3.92Å; F73-F75 HydrophobicContact CG-CE2 3.92Å; F73-F75 AromaticContact CG-CZ 3.47Å; F73-F75 HydrophobicContact CG-CZ 3.47Å; F73-F75 VanDerWaalsContact CG-CZ 3.47Å; F73-M94 HydrophobicContact CD2-CG 3.95Å; F73-E97 HydrophobicContact CE2-CB 4.16Å; F73-E97 HydrophobicContact CE2-CG 4.22Å; F73-E97 HydrophobicContact CZ-CB 4.4Å; F73-E97 HydrophobicContact CZ-CG 4.05Å; F73-I99 HydrophobicContact CD2-CB 4.15Å; F73-I99 HydrophobicContact CD2-CD1 3.68Å; F73-I99 HydrophobicContact CD2-CG2 3.87Å; F73-I99 HydrophobicContact CE2-CB 4.22Å; F73-I99 HydrophobicContact CE2-CD1 3.25Å; F73-I99 HydrophobicContact CE2-CG1 4.28Å; F73-I99 HydrophobicContact CE2-CG2 4.43Å; F73-I99 HydrophobicContact CZ-CD1 3.77Å; F73-R101 PolarHBondContact N-O 3.49Å; F73-A102 HydrophobicContact CB-CB 3.99Å; F73-A102 CarbonylContact O-C 3.49Å; F73-A102 WeakPolarHBondContact O-CA 3.45Å; F73-I103 PolarHBondContact O-N 3.14Å
74V97.6Very high93.1Very high0 Ų053.1 Ų53.10%029%0.285CS..EExtended strand (participates in β ladder)trans-121.8107.8163.5-170.50000109I17 T59 V60 F76 I103 V105I17-V74 HydrophobicContact CD1-CG1 4.43Å; I17-V74 HydrophobicContact CG2-CB 4.36Å; I17-V74 HydrophobicContact CG2-CG1 3.81Å; I17-V74 HydrophobicContact CG2-CG2 4.17Å; T59-V74 VanDerWaalsContact CA-O 3.26Å; T59-V74 WeakPolarHBondContact CA-O 3.5Å; T59-V74 WeakPolarHBondContact CG2-O 3.49Å; V60-V74 HydrophobicContact CG1-CB 3.82Å; V60-V74 HydrophobicContact CG1-CG2 4.03Å; V60-V74 PolarHBondContact N-O 3.45Å; V60-V74 VanDerWaalsContact N-O 3.14Å; V60-V74 PolarHBondContact O-N 2.82Å; V74-F76 HydrophobicContact CB-CE2 4.42Å; V74-F76 HydrophobicContact CG1-CD2 4.47Å; V74-F76 HydrophobicContact CG1-CE2 3.75Å; V74-F76 HydrophobicContact CG1-CZ 4.19Å; V74-I103 CarbonylContact C-O 3.59Å; V74-I103 WeakPolarHBondContact CA-O 3.4Å; V74-I103 HydrophobicContact CB-CB 4.49Å; V74-I103 HydrophobicContact CG1-CB 4.07Å; V74-I103 HydrophobicContact CG1-CG2 3.98Å; V74-I103 HydrophobicContact CG2-CB 4.25Å; V74-V105 HydrophobicContact CG1-CG2 4.1Å
75F97.3Very high93.1Very high0 Ų059.9 Ų59.90%031%0.313CS..EExtended strand (participates in β ladder)trans-95.4140.8-178.4-64.2-65.7000112T59 F73 Y90 M94 A102 I103 I104 V105T59-F75 HydrophobicContact CG2-CD1 3.5Å; T59-F75 HydrophobicContact CG2-CE1 3.83Å; T59-F75 HydrophobicContact CG2-CG 4.48Å; F73-F75 HydrophobicContact CB-CD2 4.05Å; F73-F75 HydrophobicContact CB-CE1 4.22Å; F73-F75 HydrophobicContact CB-CE2 3.46Å; F73-F75 VanDerWaalsContact CB-CE2 3.46Å; F73-F75 HydrophobicContact CB-CZ 3.55Å; F73-F75 HydrophobicContact CD1-CE1 4.05Å; F73-F75 AromaticContact CD1-CZ 3.93Å; F73-F75 HydrophobicContact CD1-CZ 3.93Å; F73-F75 HydrophobicContact CD2-CE2 4.24Å; F73-F75 AromaticContact CD2-CZ 3.74Å; F73-F75 HydrophobicContact CD2-CZ 3.74Å; F73-F75 HydrophobicContact CE2-CZ 4.37Å; F73-F75 HydrophobicContact CG-CE1 4.06Å; F73-F75 AromaticContact CG-CE2 3.92Å; F73-F75 HydrophobicContact CG-CE2 3.92Å; F73-F75 AromaticContact CG-CZ 3.47Å; F73-F75 HydrophobicContact CG-CZ 3.47Å; F73-F75 VanDerWaalsContact CG-CZ 3.47Å; F75-Y90 HydrophobicContact CB-CD1 4.41Å; F75-Y90 HydrophobicContact CB-CD2 4.31Å; F75-Y90 HydrophobicContact CB-CE1 4.1Å; F75-Y90 HydrophobicContact CB-CE2 3.98Å; F75-Y90 AromaticContact CD1-CD1 3.59Å; F75-Y90 HydrophobicContact CD1-CD1 3.59Å; F75-Y90 AromaticContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CG 4.25Å; F75-Y90 HydrophobicContact CD2-CD1 4.03Å; F75-Y90 HydrophobicContact CD2-CD2 4.15Å; F75-Y90 AromaticContact CD2-CG 3.83Å; F75-Y90 HydrophobicContact CD2-CG 3.83Å; F75-Y90 AromaticContact CE1-CD1 3.76Å; F75-Y90 HydrophobicContact CE1-CD1 3.76Å; F75-Y90 HydrophobicContact CE1-CE1 4.17Å; F75-Y90 HydrophobicContact CE1-CG 4.45Å; F75-Y90 HydrophobicContact CE2-CD1 4.16Å; F75-Y90 HydrophobicContact CE2-CG 4.03Å; F75-Y90 AromaticContact CG-CD1 3.75Å; F75-Y90 HydrophobicContact CG-CD1 3.75Å; F75-Y90 HydrophobicContact CG-CD2 4.19Å; F75-Y90 AromaticContact CG-CE1 3.84Å; F75-Y90 HydrophobicContact CG-CE1 3.84Å; F75-Y90 HydrophobicContact CG-CE2 4.26Å; F75-Y90 AromaticContact CG-CG 3.95Å; F75-Y90 HydrophobicContact CG-CG 3.95Å; F75-Y90 HydrophobicContact CZ-CD1 4.03Å; F75-Y90 HydrophobicContact CZ-CG 4.33Å; F75-M94 HydrophobicContact CE2-CG 4.22Å; F75-M94 HydrophobicContact CE2-SD 4.39Å; F75-M94 HydrophobicContact CZ-CG 4.45Å; F75-A102 HydrophobicContact CD2-CB 4.02Å; F75-A102 HydrophobicContact CE2-CB 3.84Å; F75-I103 PolarHBondContact N-O 2.89Å; F75-I104 HydrophobicContact CD2-CG1 4.46Å; F75-V105 PolarHBondContact O-N 2.79Å
76F96.4Very high93.4Very high4 Ų456.7 Ų56.72%0.01830%0.297CS..  trans-120.994.7175.1-68.2-99.2000109.1I13 I17 R55 L58 V74 V105I13-F76 HydrophobicContact CG2-CE1 3.93Å; I17-F76 HydrophobicContact CG1-CZ 4.35Å; R55-F76 CarbonylContact C-O 3.58Å; R55-F76 HydrophobicContact CB-CB 3.99Å; R55-F76 WeakPolarHBondContact CB-O 3.33Å; R55-F76 WeakPolarHBondContact O-CB 3.47Å; L58-F76 HydrophobicContact CB-CB 4.36Å; L58-F76 HydrophobicContact CB-CD1 4.36Å; L58-F76 HydrophobicContact CB-CD2 3.82Å; L58-F76 HydrophobicContact CB-CE2 4.15Å; L58-F76 HydrophobicContact CB-CG 3.95Å; L58-F76 HydrophobicContact CD1-CD1 4.47Å; L58-F76 WeakPolarHBondContact O-CD2 3.33Å; L58-F76 WeakPolarHBondContact O-CE2 3.44Å; V74-F76 HydrophobicContact CB-CE2 4.42Å; V74-F76 HydrophobicContact CG1-CD2 4.47Å; V74-F76 HydrophobicContact CG1-CE2 3.75Å; V74-F76 HydrophobicContact CG1-CZ 4.19Å; F76-V105 HydrophobicContact CD1-CB 3.93Å; F76-V105 HydrophobicContact CD1-CG1 4.16Å; F76-V105 HydrophobicContact CD1-CG2 4.33Å; F76-V105 HydrophobicContact CE1-CB 4Å; F76-V105 HydrophobicContact CE1-CG1 4.09Å; F76-V105 HydrophobicContact CE1-CG2 3.98Å; F76-V105 HydrophobicContact CZ-CG2 4.18Å
77P95.1Very high93.6Very high2 Ų250 Ų501%0.01326%0.261CS..  trans-71138.5-179.3-17.733.7000112.1R55 E79 V82 Y90 I104 V105 Q107R55-P77 WeakPolarHBondContact CD-O 3.46Å; P77-E79 HydrophobicContact CB-CG 4.41Å; P77-V82 HydrophobicContact CB-CG2 3.77Å; P77-V82 HydrophobicContact CG-CG2 3.77Å; P77-Y90 WeakPolarHBondContact CA-OH 3.18Å; P77-Y90 HydrophobicContact CG-CE2 3.92Å; P77-I104 HydrophobicContact CG-CG2 3.65Å; P77-V105 WeakPolarHBondContact CD-O 3.33Å; P77-Q107 PolarHBondContact O-NE2 2.93Å
78E91.3Very high93.8Very high107 Ų10752.5 Ų52.550%0.527%0.269SS..SBendtrans-72.4-30.9176.3-73.9178.5-167.400112.8R55 T56 Q107R55-E78 HydrophobicContact CB-CG 4.06Å; T56-E78 HydrophobicContact CG2-CG 4.21Å; T56-E78 WeakPolarHBondContact CG2-OE1 3.49Å; T56-E78 PolarHBondContact OG1-OE1 2.77Å; E78-Q107 PolarHBondContact O-NE2 2.81Å
79E91.5Very high94.2Very high67 Ų6752.4 Ų52.431%0.31326%0.261SS..SBendtrans-72.1132.9179.758.5-176.8-17800111.7P77 K81 V82 G83 T86P77-E79 HydrophobicContact CB-CG 4.41Å; E79-K81 PolarHBondContact O-N 3.44Å; E79-V82 HydrophobicContact CG-CG2 4.29Å; E79-V82 VanDerWaalsContact OE1-CA 3.23Å; E79-V82 WeakPolarHBondContact OE1-CA 3.41Å; E79-G83 PolarHBondContact OE1-N 2.86Å; E79-T86 WeakPolarHBondContact OE1-CB 3.43Å; E79-T86 PolarHBondContact OE1-OG1 3.05Å
80P91.5Very high94.5Very high66 Ų6647.5 Ų47.543%0.42923%0.23SC..SBendtrans-60.2-35.7-179.5-27.134.5000113.6M108P80-M108 HydrophobicContact CB-CG 4.19Å; P80-M108 HydrophobicContact CB-SD 4.06Å; P80-M108 WeakPolarHBondContact O-CB 3.49Å; P80-M108 PolarHBondContact O-N 3.45Å
81K94.6Very high94.6Very high121 Ų12146.5 Ų46.553%0.52623%0.225SC..EExtended strand (participates in β ladder)trans-121.9115.5176.7-169.9173.7-173.4173.80109.6E79 G109 T111E79-K81 PolarHBondContact O-N 3.44Å; K81-G109 CarbonylContact C-O 3.58Å; K81-G109 VanDerWaalsContact CA-O 3.32Å; K81-G109 WeakPolarHBondContact CA-O 3.35Å; K81-T111 HydrophobicContact CD-CG2 4.36Å; K81-T111 HydrophobicContact CG-CG2 4.27Å
82V95.9Very high94.6Very high0 Ų048.9 Ų48.90%024%0.236CC..EExtended strand (participates in β ladder)trans-76.7129-172.9-177.20000111.7P77 E79 T86 I87 V106 G109 M110 T111P77-V82 HydrophobicContact CB-CG2 3.77Å; P77-V82 HydrophobicContact CG-CG2 3.77Å; E79-V82 HydrophobicContact CG-CG2 4.29Å; E79-V82 VanDerWaalsContact OE1-CA 3.23Å; E79-V82 WeakPolarHBondContact OE1-CA 3.41Å; V82-T86 HydrophobicContact CG1-CG2 4.1Å; V82-I87 HydrophobicContact CG1-CD1 3.71Å; V82-I87 HydrophobicContact CG1-CG1 4.16Å; V82-V106 HydrophobicContact CB-CG1 4.35Å; V82-V106 HydrophobicContact CG2-CB 4.11Å; V82-V106 HydrophobicContact CG2-CG1 3.54Å; V82-G109 PolarHBondContact N-O 2.77Å; V82-M110 HydrophobicContact CB-CG 4.09Å; V82-M110 WeakPolarHBondContact O-CA 3.47Å; V82-T111 PolarHBondContact O-N 3.26Å
83G95.5Very high94.5Very high16 Ų1655.1 Ų55.117%0.16526%0.26CS..  trans-98166.617700000113.8E79 K85 T86 I87E79-G83 PolarHBondContact OE1-N 2.86Å; G83-K85 PolarHBondContact O-N 2.84Å; G83-T86 PolarHBondContact O-N 3.04Å; G83-I87 PolarHBondContact O-N 3.18Å
84I93.4Very high94.3Very high66 Ų6654 Ų5434%0.33826%0.255SS..Hα-helixtrans-61.3-30.1-179.3-168.4168.9000113.4T86 I87 K88I84-T86 VanDerWaalsContact C-N 3.32Å; I84-T86 PolarHBondContact O-N 3.12Å; I84-I87 PolarHBondContact O-N 2.87Å; I84-K88 WeakPolarHBondContact O-CG 3.41Å; I84-K88 PolarHBondContact O-N 3.47Å
85K94.4Very high94.1Very high178 Ų17859.4 Ų59.477%0.77428%0.28SS*.Hα-helixtrans-60.8-44.4178.2-175.4-178176.8-173.90110.9G83 K88 M89G83-K85 PolarHBondContact O-N 2.84Å; K85-K88 PolarHBondContact O-N 3.42Å; K85-M89 PolarHBondContact O-N 2.85Å
86T95.1Very high93.9Very high21 Ų2164.9 Ų64.913%0.12931%0.306CS..Hα-helixtrans-67.6-41.8179.7-51.10000111.3E79 V82 G83 I84 K88 M89 Y90E79-T86 WeakPolarHBondContact OE1-CB 3.43Å; E79-T86 PolarHBondContact OE1-OG1 3.05Å; V82-T86 HydrophobicContact CG1-CG2 4.1Å; G83-T86 PolarHBondContact O-N 3.04Å; I84-T86 VanDerWaalsContact C-N 3.32Å; I84-T86 PolarHBondContact O-N 3.12Å; T86-K88 PolarHBondContact O-N 3.4Å; T86-M89 HydrophobicContact CG2-CE 4.27Å; T86-M89 WeakPolarHBondContact O-CB 3.42Å; T86-M89 PolarHBondContact O-N 2.9Å; T86-Y90 HydrophobicContact CG2-CD2 4.17Å; T86-Y90 HydrophobicContact CG2-CE2 3.5Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 2.97Å
87I94.4Very high93.7Very high2 Ų270.1 Ų70.11%0.0133%0.33CS..Hα-helixtrans-59.7-46.5173.9-58.5-54.4000111.2V82 G83 I84 M89 Y90 C91 I104 M110 A114 L118 L127V82-I87 HydrophobicContact CG1-CD1 3.71Å; V82-I87 HydrophobicContact CG1-CG1 4.16Å; G83-I87 PolarHBondContact O-N 3.18Å; I84-I87 PolarHBondContact O-N 2.87Å; I87-M89 VanDerWaalsContact C-N 3.31Å; I87-M89 PolarHBondContact O-N 3.07Å; I87-Y90 PolarHBondContact O-N 3.07Å; I87-C91 PolarHBondContact O-N 2.85Å; I87-C91 PolarHBondContact O-SG 3.43Å; I87-I104 HydrophobicContact CD1-CD1 3.64Å; I87-M110 HydrophobicContact CD1-CE 4.04Å; I87-M110 HydrophobicContact CD1-SD 4.26Å; I87-A114 HydrophobicContact CG1-CB 3.97Å; I87-L118 HydrophobicContact CD1-CD2 4.11Å; I87-L118 HydrophobicContact CG1-CD2 4.47Å; I87-L118 HydrophobicContact CG2-CD2 3.87Å; I87-L127 HydrophobicContact CG2-CD1 4.45Å
88K92.4Very high93.6Very high124 Ų12476.7 Ų76.754%0.53937%0.365SS..Hα-helixtrans-60.4-40.4177.1-73.3-177.1177.8-173.50112.4I84 K85 T86 C91 Q92I84-K88 WeakPolarHBondContact O-CG 3.41Å; I84-K88 PolarHBondContact O-N 3.47Å; K85-K88 PolarHBondContact O-N 3.42Å; T86-K88 PolarHBondContact O-N 3.4Å; K88-C91 PolarHBondContact O-N 2.92Å; K88-Q92 WeakPolarHBondContact O-CB 3.5Å; K88-Q92 PolarHBondContact O-N 3.3Å
89M94.4Very high93.7Very high93 Ų9371.9 Ų71.946%0.45834%0.343SS..Hα-helixtrans-61.6-42.8175.4-178.6-17272.800111.8K85 T86 I87 Q92 R93K85-M89 PolarHBondContact O-N 2.85Å; T86-M89 HydrophobicContact CG2-CE 4.27Å; T86-M89 WeakPolarHBondContact O-CB 3.42Å; T86-M89 PolarHBondContact O-N 2.9Å; I87-M89 VanDerWaalsContact C-N 3.31Å; I87-M89 PolarHBondContact O-N 3.07Å; M89-Q92 PolarHBondContact O-N 2.77Å; M89-R93 PolarHBondContact O-N 2.89Å; M89-R93 VanDerWaalsContact O-N 3.07Å
90Y94.9Very high93.8Very high12 Ų1272 Ų725%0.04735%0.348CS..Hα-helixtrans-67.1-42.3175.1-64.5-36000112.5F75 P77 T86 I87 Q92 R93 M94 I104F75-Y90 HydrophobicContact CB-CD1 4.41Å; F75-Y90 HydrophobicContact CB-CD2 4.31Å; F75-Y90 HydrophobicContact CB-CE1 4.1Å; F75-Y90 HydrophobicContact CB-CE2 3.98Å; F75-Y90 AromaticContact CD1-CD1 3.59Å; F75-Y90 HydrophobicContact CD1-CD1 3.59Å; F75-Y90 AromaticContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CE1 3.62Å; F75-Y90 HydrophobicContact CD1-CG 4.25Å; F75-Y90 HydrophobicContact CD2-CD1 4.03Å; F75-Y90 HydrophobicContact CD2-CD2 4.15Å; F75-Y90 AromaticContact CD2-CG 3.83Å; F75-Y90 HydrophobicContact CD2-CG 3.83Å; F75-Y90 AromaticContact CE1-CD1 3.76Å; F75-Y90 HydrophobicContact CE1-CD1 3.76Å; F75-Y90 HydrophobicContact CE1-CE1 4.17Å; F75-Y90 HydrophobicContact CE1-CG 4.45Å; F75-Y90 HydrophobicContact CE2-CD1 4.16Å; F75-Y90 HydrophobicContact CE2-CG 4.03Å; F75-Y90 AromaticContact CG-CD1 3.75Å; F75-Y90 HydrophobicContact CG-CD1 3.75Å; F75-Y90 HydrophobicContact CG-CD2 4.19Å; F75-Y90 AromaticContact CG-CE1 3.84Å; F75-Y90 HydrophobicContact CG-CE1 3.84Å; F75-Y90 HydrophobicContact CG-CE2 4.26Å; F75-Y90 AromaticContact CG-CG 3.95Å; F75-Y90 HydrophobicContact CG-CG 3.95Å; F75-Y90 HydrophobicContact CZ-CD1 4.03Å; F75-Y90 HydrophobicContact CZ-CG 4.33Å; P77-Y90 WeakPolarHBondContact CA-OH 3.18Å; P77-Y90 HydrophobicContact CG-CE2 3.92Å; T86-Y90 HydrophobicContact CG2-CD2 4.17Å; T86-Y90 HydrophobicContact CG2-CE2 3.5Å; T86-Y90 WeakPolarHBondContact O-CD2 3.29Å; T86-Y90 PolarHBondContact O-N 2.97Å; I87-Y90 PolarHBondContact O-N 3.07Å; Y90-Q92 PolarHBondContact O-N 3.15Å; Y90-R93 PolarHBondContact O-N 2.94Å; Y90-M94 WeakPolarHBondContact O-CB 3.36Å; Y90-M94 VanDerWaalsContact O-CG 3.29Å; Y90-M94 WeakPolarHBondContact O-CG 3.41Å; Y90-M94 PolarHBondContact O-N 3.41Å; Y90-I104 HydrophobicContact CD2-CD1 4.29Å; Y90-I104 HydrophobicContact CE2-CG2 4.41Å
91C92.7Very high93.9Very high10 Ų1072.2 Ų72.27%0.06834%0.34CS..Hα-helixtrans-60-37.1174.4-66.50000112I87 K88 M94 Q95I87-C91 PolarHBondContact O-N 2.85Å; I87-C91 PolarHBondContact O-SG 3.43Å; K88-C91 PolarHBondContact O-N 2.92Å; C91-M94 PolarHBondContact O-N 3.46Å; C91-Q95 WeakPolarHBondContact O-CB 3.48Å; C91-Q95 PolarHBondContact O-N 3.07Å
92Q93.4Very high94Very high113 Ų11366.5 Ų66.553%0.52832%0.316SS..Hα-helixtrans-64.6-48.1175.4-177.1-178.9-14.100111.1K88 M89 Y90 M94 Q95 E96K88-Q92 WeakPolarHBondContact O-CB 3.5Å; K88-Q92 PolarHBondContact O-N 3.3Å; M89-Q92 PolarHBondContact O-N 2.77Å; Y90-Q92 PolarHBondContact O-N 3.15Å; Q92-M94 VanDerWaalsContact C-N 3.32Å; Q92-M94 PolarHBondContact O-N 2.86Å; Q92-Q95 WeakPolarHBondContact O-CA 3.48Å; Q92-Q95 WeakPolarHBondContact O-CB 3.36Å; Q92-Q95 PolarHBondContact O-N 3.34Å; Q92-E96 WeakPolarHBondContact CG-OE1 3.13Å; Q92-E96 PolarHBondContact NE2-OE1 3.4Å; Q92-E96 WeakPolarHBondContact O-CG 3.39Å; Q92-E96 PolarHBondContact O-N 2.93Å
93R94.3Very high94.1Very high133 Ų13366.5 Ų66.550%0.50232%0.316SS..Hα-helixtrans-57.7-44.2174.2-85.1-175.6148.8-169.4-6.8112.5M89 Y90 Q95 E96 E97M89-R93 PolarHBondContact O-N 2.89Å; M89-R93 VanDerWaalsContact O-N 3.07Å; Y90-R93 PolarHBondContact O-N 2.94Å; R93-Q95 VanDerWaalsContact C-N 3.26Å; R93-Q95 PolarHBondContact O-N 3.37Å; R93-E96 PolarHBondContact O-N 2.69Å; R93-E97 PolarHBondContact O-N 3.12Å; R93-E97 VanDerWaalsContact O-N 3.12Å
94M94.5Very high94.1Very high0 Ų065.8 Ų65.80%031%0.308CS..Hα-helixtrans-59.5-38.9174.5-73.217572.600111.8F73 F75 Y90 C91 Q92 N98 I99 T100 A102 Y125 L127F73-M94 HydrophobicContact CD2-CG 3.95Å; F75-M94 HydrophobicContact CE2-CG 4.22Å; F75-M94 HydrophobicContact CE2-SD 4.39Å; F75-M94 HydrophobicContact CZ-CG 4.45Å; Y90-M94 WeakPolarHBondContact O-CB 3.36Å; Y90-M94 VanDerWaalsContact O-CG 3.29Å; Y90-M94 WeakPolarHBondContact O-CG 3.41Å; Y90-M94 PolarHBondContact O-N 3.41Å; C91-M94 PolarHBondContact O-N 3.46Å; Q92-M94 VanDerWaalsContact C-N 3.32Å; Q92-M94 PolarHBondContact O-N 2.86Å; M94-N98 CarbonylContact O-C 3.6Å; M94-N98 PolarHBondContact O-N 3.42Å; M94-I99 HydrophobicContact CE-CG2 4.45Å; M94-I99 PolarHBondContact O-N 3.21Å; M94-T100 VanDerWaalsContact CE-C 3.48Å; M94-T100 WeakPolarHBondContact CE-O 3.41Å; M94-A102 HydrophobicContact CE-CB 3.81Å; M94-A102 HydrophobicContact SD-CB 3.55Å; M94-A102 VanDerWaalsContact SD-CB 3.55Å; M94-Y125 HydrophobicContact CB-CE1 4.29Å; M94-Y125 HydrophobicContact CE-CD1 3.8Å; M94-Y125 HydrophobicContact CE-CG 4.38Å; M94-L127 HydrophobicContact CE-CD2 3.77Å; M94-L127 HydrophobicContact SD-CD2 3.5Å; M94-L127 WeakPolarHBondContact SD-CD2 3.43Å
95Q93Very high94.3Very high112 Ų11262.8 Ų62.852%0.52329%0.293SS..Hα-helixtrans-67.9-41.4176.7-173.5174.2-11.400112.6C91 Q92 R93 E97 N98 Y125C91-Q95 WeakPolarHBondContact O-CB 3.48Å; C91-Q95 PolarHBondContact O-N 3.07Å; Q92-Q95 WeakPolarHBondContact O-CA 3.48Å; Q92-Q95 WeakPolarHBondContact O-CB 3.36Å; Q92-Q95 PolarHBondContact O-N 3.34Å; R93-Q95 VanDerWaalsContact C-N 3.26Å; R93-Q95 PolarHBondContact O-N 3.37Å; Q95-E97 VanDerWaalsContact C-N 3.29Å; Q95-E97 PolarHBondContact O-N 3.29Å; Q95-N98 PolarHBondContact O-N 3.35Å; Q95-Y125 WeakPolarHBondContact CB-OH 3.45Å
96E93.9Very high94.4Very high116 Ų11654.3 Ų54.354%0.54226%0.256SS..Hα-helixtrans-61.6-39.4178.6-72.8166.4-174.600111.3Q92 R93Q92-E96 WeakPolarHBondContact CG-OE1 3.13Å; Q92-E96 PolarHBondContact NE2-OE1 3.4Å; Q92-E96 WeakPolarHBondContact O-CG 3.39Å; Q92-E96 PolarHBondContact O-N 2.93Å; R93-E96 PolarHBondContact O-N 2.69Å
97E91.9Very high94.3Very high113 Ų11354.5 Ų54.553%0.52826%0.256SS..THydrogen-bonded Turntrans-91.12.3179.8-59.8-66160.400113.6F73 R93 Q95 I99F73-E97 HydrophobicContact CE2-CB 4.16Å; F73-E97 HydrophobicContact CE2-CG 4.22Å; F73-E97 HydrophobicContact CZ-CB 4.4Å; F73-E97 HydrophobicContact CZ-CG 4.05Å; R93-E97 PolarHBondContact O-N 3.12Å; R93-E97 VanDerWaalsContact O-N 3.12Å; Q95-E97 VanDerWaalsContact C-N 3.29Å; Q95-E97 PolarHBondContact O-N 3.29Å; E97-I99 VanDerWaalsContact C-N 3.25Å; E97-I99 HydrophobicContact CB-CD1 3.7Å; E97-I99 HydrophobicContact CB-CG1 4.11Å; E97-I99 PolarHBondContact O-N 3.29Å
98N92.1Very high94.2Very high141 Ų14161.7 Ų61.775%0.75429%0.291SS*.THydrogen-bonded Turntrans5632.9-175.7-58.7-67.2000115M94 Q95M94-N98 CarbonylContact O-C 3.6Å; M94-N98 PolarHBondContact O-N 3.42Å; Q95-N98 PolarHBondContact O-N 3.35Å
99I94.4Very high94.3Very high5 Ų556.3 Ų56.33%0.02627%0.27CS..  trans-95.5136.5-179.2-70.6165.6000110.5L61 Q71 F73 M94 E97 R101L61-I99 HydrophobicContact CD1-CD1 3.35Å; L61-I99 HydrophobicContact CD2-CD1 4.21Å; L61-I99 HydrophobicContact CG-CD1 4.43Å; Q71-I99 HydrophobicContact CB-CD1 4.13Å; Q71-I99 HydrophobicContact CB-CG1 3.89Å; Q71-I99 WeakPolarHBondContact O-CG2 3.43Å; F73-I99 HydrophobicContact CD2-CB 4.15Å; F73-I99 HydrophobicContact CD2-CD1 3.68Å; F73-I99 HydrophobicContact CD2-CG2 3.87Å; F73-I99 HydrophobicContact CE2-CB 4.22Å; F73-I99 HydrophobicContact CE2-CD1 3.25Å; F73-I99 HydrophobicContact CE2-CG1 4.28Å; F73-I99 HydrophobicContact CE2-CG2 4.43Å; F73-I99 HydrophobicContact CZ-CD1 3.77Å; M94-I99 HydrophobicContact CE-CG2 4.45Å; M94-I99 PolarHBondContact O-N 3.21Å; E97-I99 VanDerWaalsContact C-N 3.25Å; E97-I99 HydrophobicContact CB-CD1 3.7Å; E97-I99 HydrophobicContact CB-CG1 4.11Å; E97-I99 PolarHBondContact O-N 3.29Å; I99-R101 VanDerWaalsContact CG2-O 3.29Å; I99-R101 WeakPolarHBondContact CG2-O 3.46Å
100T92.6Very high94.3Very high69 Ų6952.2 Ų52.242%0.42325%0.25SS..  trans-103-19.9-176.660.90000113.7M94 Y125 I126M94-T100 VanDerWaalsContact CE-C 3.48Å; M94-T100 WeakPolarHBondContact CE-O 3.41Å; T100-Y125 CarbonylContact O-C 3.57Å; T100-Y125 WeakPolarHBondContact O-CA 3.48Å; T100-I126 PolarHBondContact O-N 2.86Å
101R94.4Very high94.3Very high71 Ų7153.3 Ų53.327%0.26826%0.258SS..EExtended strand (participates in β ladder)trans-113.6137.9-175.6-59.6-179.7-170.7-108.910.7112.1Y26 D70 M72 F73 I99 I126Y26-R101 VanDerWaalsContact OH-CD 3.27Å; Y26-R101 WeakPolarHBondContact OH-CD 3.42Å; D70-R101 WeakPolarHBondContact OD1-CD 3.36Å; D70-R101 IonicContact OD1-CZ 3.53Å; D70-R101 IonicContact OD1-NE 3.62Å; D70-R101 PolarHBondContact OD1-NE 3.3Å; D70-R101 IonicContact OD2-CZ 3.02Å; D70-R101 IonicContact OD2-NE 3.51Å; D70-R101 PolarHBondContact OD2-NE 2.89Å; D70-R101 IonicContact OD2-NH2 2.83Å; D70-R101 PolarHBondContact OD2-NH2 2.75Å; M72-R101 WeakPolarHBondContact CA-O 3.44Å; M72-R101 HydrophobicContact CB-CB 4Å; M72-R101 HydrophobicContact CG-CB 3.84Å; M72-R101 HydrophobicContact SD-CB 4.42Å; F73-R101 PolarHBondContact N-O 3.49Å; I99-R101 VanDerWaalsContact CG2-O 3.29Å; I99-R101 WeakPolarHBondContact CG2-O 3.46Å; R101-I126 WeakPolarHBondContact CA-O 3.47Å; R101-I126 HydrophobicContact CG-CB 4.31Å; R101-I126 HydrophobicContact CG-CD1 4.43Å
102A96.5Very high94.4Very high1 Ų157.7 Ų57.71%0.00829%0.287CS..EExtended strand (participates in β ladder)trans-147.5145.6167.300000113.1F73 F75 M94 I126 L127 E128F73-A102 HydrophobicContact CB-CB 3.99Å; F73-A102 CarbonylContact O-C 3.49Å; F73-A102 WeakPolarHBondContact O-CA 3.45Å; F75-A102 HydrophobicContact CD2-CB 4.02Å; F75-A102 HydrophobicContact CE2-CB 3.84Å; M94-A102 HydrophobicContact CE-CB 3.81Å; M94-A102 HydrophobicContact SD-CB 3.55Å; M94-A102 VanDerWaalsContact SD-CB 3.55Å; A102-I126 PolarHBondContact N-O 3.39Å; A102-L127 HydrophobicContact CB-CD2 3.84Å; A102-L127 WeakPolarHBondContact O-CA 3.49Å; A102-E128 PolarHBondContact O-N 3.01Å
103I97.2Very high94.4Very high0 Ų055.3 Ų55.30%028%0.282CS..EExtended strand (participates in β ladder)trans-101.8136.6165.9-67.5172000108.4I17 L20 M72 F73 V74 F75 V105 E128 F130I17-I103 HydrophobicContact CD1-CG2 4.41Å; L20-I103 HydrophobicContact CD2-CD1 3.75Å; M72-I103 HydrophobicContact CE-CD1 3.8Å; M72-I103 HydrophobicContact SD-CD1 3.83Å; M72-I103 HydrophobicContact SD-CG1 3.96Å; F73-I103 PolarHBondContact O-N 3.14Å; V74-I103 CarbonylContact C-O 3.59Å; V74-I103 WeakPolarHBondContact CA-O 3.4Å; V74-I103 HydrophobicContact CB-CB 4.49Å; V74-I103 HydrophobicContact CG1-CB 4.07Å; V74-I103 HydrophobicContact CG1-CG2 3.98Å; V74-I103 HydrophobicContact CG2-CB 4.25Å; F75-I103 PolarHBondContact N-O 2.89Å; I103-V105 HydrophobicContact CG2-CG2 4.13Å; I103-E128 CarbonylContact C-O 3.57Å; I103-E128 WeakPolarHBondContact CA-O 3.36Å; I103-E128 HydrophobicContact CG1-CB 4.2Å; I103-F130 HydrophobicContact CD1-CE2 4.44Å; I103-F130 HydrophobicContact CG1-CE2 4.49Å; I103-F130 HydrophobicContact CG2-CD2 3.69Å; I103-F130 HydrophobicContact CG2-CE2 4.22Å
104I96.9Very high94.4Very high1 Ų149 Ų491%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-121.4112.2176.9-51.3175.1000108.4F75 P77 I87 Y90 V106 M110 L118 E128 F130F75-I104 HydrophobicContact CD2-CG1 4.46Å; P77-I104 HydrophobicContact CG-CG2 3.65Å; I87-I104 HydrophobicContact CD1-CD1 3.64Å; Y90-I104 HydrophobicContact CD2-CD1 4.29Å; Y90-I104 HydrophobicContact CE2-CG2 4.41Å; I104-V106 HydrophobicContact CG2-CG1 3.87Å; I104-V106 PolarHBondContact O-N 3.18Å; I104-M110 HydrophobicContact CB-CE 3.92Å; I104-M110 HydrophobicContact CD1-CE 4.08Å; I104-M110 HydrophobicContact CG2-CE 3.75Å; I104-L118 HydrophobicContact CD1-CD2 4.37Å; I104-E128 PolarHBondContact N-O 3.17Å; I104-F130 PolarHBondContact O-N 3.41Å
105V97.2Very high94.3Very high4 Ų454 Ų542%0.02428%0.28CS..EExtended strand (participates in β ladder)trans-91.598.8-178.9-177.70000109.8I13 I17 V74 F75 F76 P77 I103 F130 Q132 L135I13-V105 HydrophobicContact CG2-CG1 4.01Å; I17-V105 HydrophobicContact CD1-CG2 4.04Å; I17-V105 HydrophobicContact CG1-CG2 4.26Å; V74-V105 HydrophobicContact CG1-CG2 4.1Å; F75-V105 PolarHBondContact O-N 2.79Å; F76-V105 HydrophobicContact CD1-CB 3.93Å; F76-V105 HydrophobicContact CD1-CG1 4.16Å; F76-V105 HydrophobicContact CD1-CG2 4.33Å; F76-V105 HydrophobicContact CE1-CB 4Å; F76-V105 HydrophobicContact CE1-CG1 4.09Å; F76-V105 HydrophobicContact CE1-CG2 3.98Å; F76-V105 HydrophobicContact CZ-CG2 4.18Å; P77-V105 WeakPolarHBondContact CD-O 3.33Å; I103-V105 HydrophobicContact CG2-CG2 4.13Å; V105-F130 CarbonylContact C-O 3.54Å; V105-F130 WeakPolarHBondContact CA-O 3.42Å; V105-Q132 HydrophobicContact CG1-CB 4.11Å; V105-L135 HydrophobicContact CB-CD1 4.37Å; V105-L135 HydrophobicContact CG1-CD1 3.69Å; V105-L135 HydrophobicContact CG2-CD1 3.81Å
106V96.1Very high94.2Very high0 Ų053.7 Ų53.70%028%0.279CS..EExtended strand (participates in β ladder)trans-95.6147.6-175.1-51.60000112.2V82 I104 M110 Q129 F130 L131 Q132V82-V106 HydrophobicContact CB-CG1 4.35Å; V82-V106 HydrophobicContact CG2-CB 4.11Å; V82-V106 HydrophobicContact CG2-CG1 3.54Å; I104-V106 HydrophobicContact CG2-CG1 3.87Å; I104-V106 PolarHBondContact O-N 3.18Å; V106-M110 HydrophobicContact CG1-CE 3.5Å; V106-M110 VanDerWaalsContact CG1-CE 3.5Å; V106-M110 HydrophobicContact CG1-CG 3.97Å; V106-Q129 HydrophobicContact CG1-CG 4.37Å; V106-Q129 HydrophobicContact CG2-CG 4Å; V106-F130 PolarHBondContact N-O 3.31Å; V106-L131 HydrophobicContact CG2-CD2 3.74Å; V106-L131 HydrophobicContact CG2-CG 4.47Å; V106-L131 CarbonylContact O-C 2.91Å; V106-L131 WeakPolarHBondContact O-CA 3.3Å; V106-Q132 PolarHBondContact O-N 3.01Å
107Q93.6Very high94Very high25 Ų2548.6 Ų48.612%0.11726%0.256CS..SBendtrans-77.7-56.8-175.6-53.7172.534.800112R55 P77 E78R55-Q107 VanDerWaalsContact CZ-NE2 3.28Å; P77-Q107 PolarHBondContact O-NE2 2.93Å; E78-Q107 PolarHBondContact O-NE2 2.81Å
108M92.6Very high93.9Very high153 Ų15344.2 Ų44.275%0.75424%0.236SC*.SBendtrans-110.3-30.2179-60.9-175.375.700112.6P80 L131P80-M108 HydrophobicContact CB-CG 4.19Å; P80-M108 HydrophobicContact CB-SD 4.06Å; P80-M108 WeakPolarHBondContact O-CB 3.49Å; P80-M108 PolarHBondContact O-N 3.45Å; M108-L131 WeakPolarHBondContact O-CD2 3.26Å
109G93.3Very high93.7Very high10 Ų1042 Ų4210%0.10323%0.228CC..EExtended strand (participates in β ladder)trans154.5-163.4179.800000113.9K81 V82K81-G109 CarbonylContact C-O 3.58Å; K81-G109 VanDerWaalsContact CA-O 3.32Å; K81-G109 WeakPolarHBondContact CA-O 3.35Å; V82-G109 PolarHBondContact N-O 2.77Å
110M94.9Very high93.4Very high8 Ų846.7 Ų46.74%0.03925%0.253CS..EExtended strand (participates in β ladder)trans-122.3153.3177.5-60.4-162.8171.500110.6V82 I87 I104 V106 A114 K115 L118 Q129V82-M110 HydrophobicContact CB-CG 4.09Å; V82-M110 WeakPolarHBondContact O-CA 3.47Å; I87-M110 HydrophobicContact CD1-CE 4.04Å; I87-M110 HydrophobicContact CD1-SD 4.26Å; I104-M110 HydrophobicContact CB-CE 3.92Å; I104-M110 HydrophobicContact CD1-CE 4.08Å; I104-M110 HydrophobicContact CG2-CE 3.75Å; V106-M110 HydrophobicContact CG1-CE 3.5Å; V106-M110 VanDerWaalsContact CG1-CE 3.5Å; V106-M110 HydrophobicContact CG1-CG 3.97Å; M110-A114 HydrophobicContact CB-CB 4.12Å; M110-K115 HydrophobicContact CB-CG 3.81Å; M110-L118 HydrophobicContact CE-CD1 4.21Å; M110-L118 HydrophobicContact SD-CD1 3.71Å; M110-L118 HydrophobicContact SD-CG 4.44Å; M110-Q129 HydrophobicContact CE-CB 4.08Å; M110-Q129 HydrophobicContact CE-CG 3.92Å; M110-Q129 HydrophobicContact CG-CG 4.49Å; M110-Q129 HydrophobicContact SD-CG 4.42Å
111T95.1Very high93.1Very high34 Ų3446.6 Ų46.621%0.20925%0.248CC..  trans-66153.116966.50000110.5K81 V82 S113 A114 K115K81-T111 HydrophobicContact CD-CG2 4.36Å; K81-T111 HydrophobicContact CG-CG2 4.27Å; V82-T111 PolarHBondContact O-N 3.26Å; T111-S113 PolarHBondContact O-N 3Å; T111-S113 PolarHBondContact OG1-OG 2.85Å; T111-A114 WeakPolarHBondContact O-CB 3.41Å; T111-A114 PolarHBondContact O-N 3.12Å; T111-A114 WeakPolarHBondContact OG1-CB 3.5Å; T111-A114 PolarHBondContact OG1-N 3.12Å; T111-A114 VanDerWaalsContact OG1-N 3.15Å; T111-K115 PolarHBondContact O-N 3.37Å
112P94.2Very high92.3Very high103 Ų10346 Ų4667%0.66926%0.259SS*.Hα-helixtrans-54.8-37.8175.6-27.635.8000113.1K115 Q116P112-K115 PolarHBondContact O-N 3.45Å; P112-Q116 PolarHBondContact O-N 2.88Å
113S94.3Very high91.6Very high62 Ų6252 Ų5243%0.43430%0.298SS..Hα-helixtrans-65-38.317550.80000113.4T111 S117T111-S113 PolarHBondContact O-N 3Å; T111-S113 PolarHBondContact OG1-OG 2.85Å; S113-S117 PolarHBondContact O-N 3.22Å
114A94.1Very high91.1Very high0 Ų057.9 Ų57.90%032%0.323CS..Hα-helixtrans-66.4-45.1173.900000110.8I87 M110 T111 Q116 S117 L118I87-A114 HydrophobicContact CG1-CB 3.97Å; M110-A114 HydrophobicContact CB-CB 4.12Å; T111-A114 WeakPolarHBondContact O-CB 3.41Å; T111-A114 PolarHBondContact O-N 3.12Å; T111-A114 WeakPolarHBondContact OG1-CB 3.5Å; T111-A114 PolarHBondContact OG1-N 3.12Å; T111-A114 VanDerWaalsContact OG1-N 3.15Å; A114-Q116 VanDerWaalsContact C-N 3.34Å; A114-Q116 PolarHBondContact O-N 3.3Å; A114-S117 PolarHBondContact O-N 3.17Å; A114-S117 VanDerWaalsContact O-N 3.14Å; A114-S117 PolarHBondContact O-OG 3.49Å; A114-L118 PolarHBondContact O-N 3.35Å; A114-L118 VanDerWaalsContact O-N 3.16Å
115K92Very high90.9Very high106 Ų10658.4 Ų58.446%0.46133%0.325SS..Hα-helixtrans-58.7-44.5175.8-67.8-172.9177.9-173.20112.3M110 T111 P112 S117 L118 V119M110-K115 HydrophobicContact CB-CG 3.81Å; T111-K115 PolarHBondContact O-N 3.37Å; P112-K115 PolarHBondContact O-N 3.45Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 2.94Å; K115-L118 WeakPolarHBondContact O-CB 3.18Å; K115-L118 PolarHBondContact O-N 3Å; K115-V119 PolarHBondContact O-N 3.33Å
116Q91.4Very high90.6Very high105 Ų10560.8 Ų60.849%0.49134%0.337SS..Hα-helixtrans-61-42.3176.4-172.659.84600111.1P112 A114 L118 V119 D120P112-Q116 PolarHBondContact O-N 2.88Å; A114-Q116 VanDerWaalsContact C-N 3.34Å; A114-Q116 PolarHBondContact O-N 3.3Å; Q116-L118 PolarHBondContact O-N 3.46Å; Q116-V119 WeakPolarHBondContact O-CB 3.33Å; Q116-V119 PolarHBondContact O-N 2.94Å; Q116-D120 PolarHBondContact NE2-OD1 2.76Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.08Å
117S90.5Very high90.5Very high9 Ų962 Ų626%0.06334%0.343CS..Hα-helixtrans-62.6-28.4178.270.70000113.9S113 A114 K115 V119 M121S113-S117 PolarHBondContact O-N 3.22Å; A114-S117 PolarHBondContact O-N 3.17Å; A114-S117 VanDerWaalsContact O-N 3.14Å; A114-S117 PolarHBondContact O-OG 3.49Å; K115-S117 VanDerWaalsContact C-N 3.31Å; K115-S117 PolarHBondContact O-N 2.94Å; S117-V119 VanDerWaalsContact C-N 3.34Å; S117-M121 WeakPolarHBondContact O-CB 3.27Å; S117-M121 WeakPolarHBondContact O-CG 3.47Å; S117-M121 PolarHBondContact O-N 3.18Å; S117-M121 VanDerWaalsContact O-N 3.13Å
118L88.6Confident90.5Very high22 Ų2262 Ų6212%0.11534%0.343CS..Hα-helixtrans-65-40.6172.4-57.8-177.5000111.4I87 I104 M110 A114 K115 Q116 A122 L127I87-L118 HydrophobicContact CD1-CD2 4.11Å; I87-L118 HydrophobicContact CG1-CD2 4.47Å; I87-L118 HydrophobicContact CG2-CD2 3.87Å; I104-L118 HydrophobicContact CD1-CD2 4.37Å; M110-L118 HydrophobicContact CE-CD1 4.21Å; M110-L118 HydrophobicContact SD-CD1 3.71Å; M110-L118 HydrophobicContact SD-CG 4.44Å; A114-L118 PolarHBondContact O-N 3.35Å; A114-L118 VanDerWaalsContact O-N 3.16Å; K115-L118 WeakPolarHBondContact O-CB 3.18Å; K115-L118 PolarHBondContact O-N 3Å; Q116-L118 PolarHBondContact O-N 3.46Å; L118-A122 PolarHBondContact O-N 3.25Å; L118-L127 HydrophobicContact CD2-CB 3.73Å; L118-L127 HydrophobicContact CD2-CD1 3.44Å; L118-L127 VanDerWaalsContact CD2-CD1 3.44Å; L118-L127 HydrophobicContact CD2-CG 4.22Å
119V88.3Confident90.6Very high94 Ų9456.7 Ų56.757%0.5732%0.317SS*.Hα-helixtrans-69.1-42.3178.5-179.20000110.7K115 Q116 S117 M121 A122K115-V119 PolarHBondContact O-N 3.33Å; Q116-V119 WeakPolarHBondContact O-CB 3.33Å; Q116-V119 PolarHBondContact O-N 2.94Å; S117-V119 VanDerWaalsContact C-N 3.34Å; V119-M121 PolarHBondContact O-N 3.34Å; V119-A122 WeakPolarHBondContact O-CB 3.21Å; V119-A122 PolarHBondContact O-N 3.03Å; V119-A122 VanDerWaalsContact O-N 3.12Å
120D87.9Confident90.8Very high104 Ų10456.8 Ų56.856%0.55631%0.314SS*.Hα-helixtrans-66.2-29.6-179.4-58.5-19.3000111.9Q116Q116-D120 PolarHBondContact NE2-OD1 2.76Å; Q116-D120 VanDerWaalsContact O-CG 3.25Å; Q116-D120 PolarHBondContact O-N 3.08Å
121M87.4Confident90.8Very high66 Ų6658.6 Ų58.633%0.32532%0.324SS..THydrogen-bonded Turntrans-83.5-10.9176.8-66-71.8178.200113.4S117 V119 P123 K124 Y125 L127S117-M121 WeakPolarHBondContact O-CB 3.27Å; S117-M121 WeakPolarHBondContact O-CG 3.47Å; S117-M121 PolarHBondContact O-N 3.18Å; S117-M121 VanDerWaalsContact O-N 3.13Å; V119-M121 PolarHBondContact O-N 3.34Å; M121-P123 WeakPolarHBondContact O-CD 3.43Å; M121-K124 PolarHBondContact O-N 3.28Å; M121-Y125 HydrophobicContact CB-CD2 4.39Å; M121-Y125 PolarHBondContact O-N 3.04Å; M121-Y125 HydrophobicContact SD-CD2 4.33Å; M121-L127 HydrophobicContact CB-CD1 4.42Å
122A76.3Confident90.8Very high59 Ų5958.4 Ų58.449%0.48832%0.321SS..THydrogen-bonded Turntrans-62.2-19.6-168.500000118L118 V119 K124 Y125L118-A122 PolarHBondContact O-N 3.25Å; V119-A122 WeakPolarHBondContact O-CB 3.21Å; V119-A122 PolarHBondContact O-N 3.03Å; V119-A122 VanDerWaalsContact O-N 3.12Å; A122-K124 VanDerWaalsContact C-N 3.34Å; A122-Y125 WeakPolarHBondContact CA-O 3.34Å
123P81.2Confident90.8Very high128 Ų12860.4 Ų60.483%0.83132%0.321SS*.THydrogen-bonded Turntrans-77.2-22.8171.127.2-31000112.7M121M121-P123 WeakPolarHBondContact O-CD 3.43Å
124K88.1Confident90.8Very high123 Ų12361.1 Ų61.154%0.53532%0.318SS..THydrogen-bonded Turntrans-104.1-39.2-176.6-170.5-179.2178.7-161.70112.9M121 A122M121-K124 PolarHBondContact O-N 3.28Å; A122-K124 VanDerWaalsContact C-N 3.34Å
125Y91.1Very high90.9Very high12 Ų1261.3 Ų61.35%0.04732%0.319CS..  trans-125.9139.3-176.4-58.5-72.8000110.7M94 Q95 T100 M121 A122M94-Y125 HydrophobicContact CB-CE1 4.29Å; M94-Y125 HydrophobicContact CE-CD1 3.8Å; M94-Y125 HydrophobicContact CE-CG 4.38Å; Q95-Y125 WeakPolarHBondContact CB-OH 3.45Å; T100-Y125 CarbonylContact O-C 3.57Å; T100-Y125 WeakPolarHBondContact O-CA 3.48Å; M121-Y125 HydrophobicContact CB-CD2 4.39Å; M121-Y125 PolarHBondContact O-N 3.04Å; M121-Y125 HydrophobicContact SD-CD2 4.33Å; A122-Y125 WeakPolarHBondContact CA-O 3.34Å
126I92.1Very high91Very high54 Ų5458.8 Ų58.828%0.27731%0.31SS..EExtended strand (participates in β ladder)trans-100.4102.3174.5-56.8174.3000107.3T100 R101 A102T100-I126 PolarHBondContact O-N 2.86Å; R101-I126 WeakPolarHBondContact CA-O 3.47Å; R101-I126 HydrophobicContact CG-CB 4.31Å; R101-I126 HydrophobicContact CG-CD1 4.43Å; A102-I126 PolarHBondContact N-O 3.39Å
127L93.6Very high91.2Very high25 Ų2559.7 Ų59.713%0.13132%0.317CS..EExtended strand (participates in β ladder)trans-109121.3-180-56.6176.3000110I87 M94 A102 L118 M121I87-L127 HydrophobicContact CG2-CD1 4.45Å; M94-L127 HydrophobicContact CE-CD2 3.77Å; M94-L127 HydrophobicContact SD-CD2 3.5Å; M94-L127 WeakPolarHBondContact SD-CD2 3.43Å; A102-L127 HydrophobicContact CB-CD2 3.84Å; A102-L127 WeakPolarHBondContact O-CA 3.49Å; L118-L127 HydrophobicContact CD2-CB 3.73Å; L118-L127 HydrophobicContact CD2-CD1 3.44Å; L118-L127 VanDerWaalsContact CD2-CD1 3.44Å; L118-L127 HydrophobicContact CD2-CG 4.22Å; M121-L127 HydrophobicContact CB-CD1 4.42Å
128E94.1Very high91.5Very high24 Ų2459.5 Ų59.511%0.11232%0.315CS..EExtended strand (participates in β ladder)trans-110.4133.5-179.7-67.9177.5-154.600110.1R24 A102 I103 I104 F130 K186R24-E128 IonicContact CZ-OE2 3.33Å; R24-E128 VanDerWaalsContact CZ-OE2 3.28Å; R24-E128 IonicContact NH1-OE1 3.01Å; R24-E128 PolarHBondContact NH1-OE1 2.96Å; R24-E128 IonicContact NH1-OE2 3.49Å; R24-E128 PolarHBondContact NH1-OE2 3.11Å; R24-E128 IonicContact NH2-OE2 3.2Å; R24-E128 PolarHBondContact NH2-OE2 2.93Å; A102-E128 PolarHBondContact O-N 3.01Å; I103-E128 CarbonylContact C-O 3.57Å; I103-E128 WeakPolarHBondContact CA-O 3.36Å; I103-E128 HydrophobicContact CG1-CB 4.2Å; I104-E128 PolarHBondContact N-O 3.17Å; E128-F130 HydrophobicContact CB-CE2 4.4Å; E128-K186 IonicContact OE1-NZ 2.96Å; E128-K186 PolarHBondContact OE1-NZ 2.91Å
129Q94.4Very high91.8Very high43 Ų4361 Ų6120%0.20132%0.323CS..EExtended strand (participates in β ladder)trans-101.5133.3175.1175.8-172.2-17.500109.2V106 M110 R181V106-Q129 HydrophobicContact CG1-CG 4.37Å; V106-Q129 HydrophobicContact CG2-CG 4Å; M110-Q129 HydrophobicContact CE-CB 4.08Å; M110-Q129 HydrophobicContact CE-CG 3.92Å; M110-Q129 HydrophobicContact CG-CG 4.49Å; M110-Q129 HydrophobicContact SD-CG 4.42Å; Q129-R181 PolarHBondContact O-NH2 2.75Å
130F96.8Very high92.1Very high11 Ų1158.4 Ų58.45%0.04831%0.307CS..EExtended strand (participates in β ladder)trans-123.3139.9163.9-76.4-91.5000110.3L20 I103 I104 V105 V106 E128 L135 R181L20-F130 HydrophobicContact CD1-CE1 4.33Å; L20-F130 HydrophobicContact CD1-CE2 4.46Å; L20-F130 HydrophobicContact CD1-CZ 3.96Å; I103-F130 HydrophobicContact CD1-CE2 4.44Å; I103-F130 HydrophobicContact CG1-CE2 4.49Å; I103-F130 HydrophobicContact CG2-CD2 3.69Å; I103-F130 HydrophobicContact CG2-CE2 4.22Å; I104-F130 PolarHBondContact O-N 3.41Å; V105-F130 CarbonylContact C-O 3.54Å; V105-F130 WeakPolarHBondContact CA-O 3.42Å; V106-F130 PolarHBondContact N-O 3.31Å; E128-F130 HydrophobicContact CB-CE2 4.4Å; F130-L135 HydrophobicContact CB-CD1 3.73Å; F130-L135 HydrophobicContact CB-CD2 4.46Å; F130-L135 HydrophobicContact CB-CG 4.16Å; F130-L135 HydrophobicContact CD1-CD2 3.92Å; F130-L135 HydrophobicContact CD1-CG 4.38Å; F130-L135 HydrophobicContact CE1-CD2 4.47Å; F130-L135 HydrophobicContact CG-CD1 4.35Å; F130-L135 HydrophobicContact CG-CD2 4.29Å; F130-R181 HydrophobicContact CE1-CB 4.47Å; F130-R181 HydrophobicContact CZ-CB 4.48Å; F130-R181 WeakPolarHBondContact CZ-O 3.44Å
131L95.9Very high92.4Very high47 Ų4759 Ų5925%0.24631%0.307CS..EExtended strand (participates in β ladder)trans-79.9137.4166.4-71.8163.8000108.3V106 M108 Q133 E134V106-L131 HydrophobicContact CG2-CD2 3.74Å; V106-L131 HydrophobicContact CG2-CG 4.47Å; V106-L131 CarbonylContact O-C 2.91Å; V106-L131 WeakPolarHBondContact O-CA 3.3Å; M108-L131 WeakPolarHBondContact O-CD2 3.26Å; L131-Q133 PolarHBondContact O-N 2.81Å; L131-Q133 VanDerWaalsContact O-N 3.08Å; L131-E134 HydrophobicContact CB-CG 3.94Å; L131-E134 PolarHBondContact N-OE2 3.24Å; L131-E134 WeakPolarHBondContact O-CB 3.13Å; L131-E134 PolarHBondContact O-N 3.3Å
132Q94.3Very high92.8Very high29 Ų2960.7 Ų60.714%0.13631%0.313CS..G310 helixtrans-57-31.3179.877175.512.200112.4I13 V105 V106 E134 L135 L136I13-Q132 HydrophobicContact CD1-CB 3.75Å; I13-Q132 HydrophobicContact CD1-CG 4.37Å; V105-Q132 HydrophobicContact CG1-CB 4.11Å; V106-Q132 PolarHBondContact O-N 3.01Å; Q132-E134 VanDerWaalsContact C-N 3.3Å; Q132-E134 PolarHBondContact O-N 2.84Å; Q132-L135 PolarHBondContact O-N 2.8Å; Q132-L135 VanDerWaalsContact O-N 3.14Å; Q132-L136 PolarHBondContact O-N 2.96Å
133Q93.9Very high93.7Very high146 Ų14667 Ų6768%0.68233%0.333SS*.G310 helixtrans-64.5-32.4176.5-67.1178.9-17.900112.7L131 L135L131-Q133 PolarHBondContact O-N 2.81Å; L131-Q133 VanDerWaalsContact O-N 3.08Å; Q133-L135 PolarHBondContact O-N 2.91Å
134E94.3Very high94.3Very high76 Ų7667.7 Ų67.736%0.35533%0.329SS..G310 helixtrans-69.4-20.3176.5-63.5170.4152.800111.8L131 Q132 R181L131-E134 HydrophobicContact CB-CG 3.94Å; L131-E134 PolarHBondContact N-OE2 3.24Å; L131-E134 WeakPolarHBondContact O-CB 3.13Å; L131-E134 PolarHBondContact O-N 3.3Å; Q132-E134 VanDerWaalsContact C-N 3.3Å; Q132-E134 PolarHBondContact O-N 2.84Å; E134-R181 IonicContact OE1-CZ 3.42Å; E134-R181 IonicContact OE1-NH1 3.3Å; E134-R181 PolarHBondContact OE1-NH1 2.93Å; E134-R181 IonicContact OE1-NH2 2.84Å; E134-R181 IonicContact OE2-CZ 3.69Å; E134-R181 IonicContact OE2-NH1 2.87Å; E134-R181 PolarHBondContact OE2-NH1 2.97Å; E134-R181 IonicContact OE2-NH2 2.77Å; E134-R181 PolarHBondContact OE2-NH2 3.26Å
135L96.3Very high94.6Very high4 Ų463.7 Ų63.72%0.02132%0.315CS..G310 helixtrans-103.8-3.6-173.4-62.8170.2000113.5I13 T16 I17 V105 F130 Q132 Q133 I137I13-L135 HydrophobicContact CB-CB 4.46Å; I13-L135 HydrophobicContact CG1-CB 4.32Å; I13-L135 HydrophobicContact CG2-CB 3.92Å; I13-L135 HydrophobicContact CG2-CD1 3.98Å; T16-L135 WeakPolarHBondContact CB-O 3.4Å; T16-L135 HydrophobicContact CG2-CB 4.5Å; T16-L135 HydrophobicContact CG2-CD2 4.22Å; T16-L135 PolarHBondContact OG1-O 2.96Å; I17-L135 HydrophobicContact CD1-CD1 3.62Å; I17-L135 HydrophobicContact CD1-CD2 3.91Å; I17-L135 HydrophobicContact CD1-CG 4.4Å; I17-L135 HydrophobicContact CG1-CD1 3.89Å; I17-L135 HydrophobicContact CG1-CD2 4.47Å; V105-L135 HydrophobicContact CB-CD1 4.37Å; V105-L135 HydrophobicContact CG1-CD1 3.69Å; V105-L135 HydrophobicContact CG2-CD1 3.81Å; F130-L135 HydrophobicContact CB-CD1 3.73Å; F130-L135 HydrophobicContact CB-CD2 4.46Å; F130-L135 HydrophobicContact CB-CG 4.16Å; F130-L135 HydrophobicContact CD1-CD2 3.92Å; F130-L135 HydrophobicContact CD1-CG 4.38Å; F130-L135 HydrophobicContact CE1-CD2 4.47Å; F130-L135 HydrophobicContact CG-CD1 4.35Å; F130-L135 HydrophobicContact CG-CD2 4.29Å; Q132-L135 PolarHBondContact O-N 2.8Å; Q132-L135 VanDerWaalsContact O-N 3.14Å; Q133-L135 PolarHBondContact O-N 2.91Å; L135-I137 PolarHBondContact O-N 2.78Å
136L95.3Very high94.9Very high54 Ų5465 Ų6528%0.28333%0.325SS..SBendtrans-66.4-26175.7-74.2170.6000112.3R9 K12 I13 Q132R9-L136 HydrophobicContact CB-CD2 3.94Å; R9-L136 HydrophobicContact CG-CD2 3.9Å; K12-L136 WeakPolarHBondContact CE-O 3.46Å; K12-L136 WeakPolarHBondContact CG-O 3.45Å; I13-L136 HydrophobicContact CD1-CD2 4.08Å; I13-L136 HydrophobicContact CG1-CD2 3.87Å; I13-L136 HydrophobicContact CG1-CG 4.29Å; Q132-L136 PolarHBondContact O-N 2.96Å
137I94.9Very high95Very high123 Ų12367.9 Ų67.963%0.63134%0.337SS*.SBendtrans-129.6127.6178.6-59.5173.3000107L135 I139L135-I137 PolarHBondContact O-N 2.78Å; I137-I139 PolarHBondContact O-N 3.24Å
138N95.9Very high95.2Very high5 Ų567.9 Ų67.93%0.02734%0.336CS..  trans-75.2112.4172.5-167.4-9.3000109.3T16 Q19 T140 E141 Y182T16-N138 HydrophobicContact CG2-CB 3.95Å; Q19-N138 PolarHBondContact OE1-ND2 2.98Å; N138-T140 PolarHBondContact ND2-OG1 3.18Å; N138-T140 PolarHBondContact O-N 3.03Å; N138-T140 PolarHBondContact OD1-N 3.39Å; N138-T140 PolarHBondContact OD1-OG1 2.89Å; N138-E141 HydrophobicContact CB-CG 4.07Å; N138-E141 PolarHBondContact O-N 3.38Å; N138-Y182 PolarHBondContact ND2-OH 2.96Å; N138-Y182 WeakPolarHBondContact OD1-CE2 3.42Å
139I95.3Very high95.3Very high53 Ų5369.8 Ų69.827%0.27235%0.347SS..G310 helixtrans-67.6-23.7-17860.6171.5000112.7I137 E141 H142 V145 P178 V179I137-I139 PolarHBondContact O-N 3.24Å; I139-E141 VanDerWaalsContact C-N 3.26Å; I139-E141 PolarHBondContact O-N 3.31Å; I139-H142 WeakPolarHBondContact O-CB 3.44Å; I139-H142 PolarHBondContact O-N 3.33Å; I139-V145 WeakPolarHBondContact O-CB 3.43Å; I139-V145 VanDerWaalsContact O-CG2 3.27Å; I139-V145 WeakPolarHBondContact O-CG2 3.44Å; I139-P178 HydrophobicContact CD1-CB 3.52Å; I139-V179 HydrophobicContact CD1-CG2 4.1Å
140T95Very high95.3Very high40 Ų4070.3 Ų70.325%0.24535%0.353CS..G310 helixtrans-73.4-21.3-179.461.80000112.6N138 H142 Y182 F183N138-T140 PolarHBondContact ND2-OG1 3.18Å; N138-T140 PolarHBondContact O-N 3.03Å; N138-T140 PolarHBondContact OD1-N 3.39Å; N138-T140 PolarHBondContact OD1-OG1 2.89Å; T140-H142 VanDerWaalsContact C-N 3.27Å; T140-Y182 HydrophobicContact CG2-CD1 3.68Å; T140-Y182 HydrophobicContact CG2-CD2 4.18Å; T140-Y182 HydrophobicContact CG2-CE1 3.52Å; T140-Y182 HydrophobicContact CG2-CE2 4.03Å; T140-Y182 HydrophobicContact CG2-CG 4Å; T140-F183 HydrophobicContact CG2-CE2 4.49Å
141E94.4Very high95.2Very high118 Ų11871 Ų7155%0.55136%0.356SS*.G310 helixtrans-81.8-7.1176.1-62.8179.7176.300112.6Q19 N138 I139Q19-E141 PolarHBondContact NE2-OE1 2.99Å; Q19-E141 PolarHBondContact OE1-OE1 3.13Å; N138-E141 HydrophobicContact CB-CG 4.07Å; N138-E141 PolarHBondContact O-N 3.38Å; I139-E141 VanDerWaalsContact C-N 3.26Å; I139-E141 PolarHBondContact O-N 3.31Å
142H95.9Very high95.2Very high100 Ų10072.1 Ų72.146%0.46337%0.365SS..SBendtrans-74.9134.2-177.9-171-77.9000111.4I139 T140 L144 V145I139-H142 WeakPolarHBondContact O-CB 3.44Å; I139-H142 PolarHBondContact O-N 3.33Å; T140-H142 VanDerWaalsContact C-N 3.27Å; H142-L144 VanDerWaalsContact C-N 3.27Å; H142-L144 PolarHBondContact ND1-N 3.21Å; H142-L144 VanDerWaalsContact ND1-N 3.12Å; H142-L144 PolarHBondContact O-N 3.16Å; H142-L144 VanDerWaalsContact O-N 3.12Å; H142-V145 HydrophobicContact CB-CB 4.49Å; H142-V145 HydrophobicContact CB-CG2 4.07Å; H142-V145 WeakPolarHBondContact O-CB 3.43Å; H142-V145 PolarHBondContact O-N 3.24Å
143E93.9Very high95.2Very high191 Ų19178.9 Ų78.989%0.89339%0.394SS*.THydrogen-bonded Turntrans-52.2-40.2-176.3-177.3-177.417900114.1V145E143-V145 VanDerWaalsContact C-N 3.25Å; E143-V145 PolarHBondContact O-N 2.96Å
144L93.9Very high95.3Very high144 Ų14478.4 Ų78.475%0.75439%0.392SS*.THydrogen-bonded Turntrans-74.3-9.4178.9-60.2179.4000114.6H142 P146H142-L144 VanDerWaalsContact C-N 3.27Å; H142-L144 PolarHBondContact ND1-N 3.21Å; H142-L144 VanDerWaalsContact ND1-N 3.12Å; H142-L144 PolarHBondContact O-N 3.16Å; H142-L144 VanDerWaalsContact O-N 3.12Å; L144-P146 WeakPolarHBondContact O-CD 3.08Å
145V95.8Very high95.4Very high38 Ų3878.9 Ų78.923%0.2339%0.394CS..SBendtrans-96.1110.4-179.2179.30000108.6I139 H142 E143 V179I139-V145 WeakPolarHBondContact O-CB 3.43Å; I139-V145 VanDerWaalsContact O-CG2 3.27Å; I139-V145 WeakPolarHBondContact O-CG2 3.44Å; H142-V145 HydrophobicContact CB-CB 4.49Å; H142-V145 HydrophobicContact CB-CG2 4.07Å; H142-V145 WeakPolarHBondContact O-CB 3.43Å; H142-V145 PolarHBondContact O-N 3.24Å; E143-V145 VanDerWaalsContact C-N 3.25Å; E143-V145 PolarHBondContact O-N 2.96Å; V145-V179 HydrophobicContact CG1-CG2 4.01Å
146P96.3Very high95.4Very high40 Ų4079.4 Ų79.426%0.2640%0.397SS..  trans-70.9168.217829.4-34.3000111.5L144 H148 I193 I194 R195L144-P146 WeakPolarHBondContact O-CD 3.08Å; P146-H148 PolarHBondContact O-CE1 3.47Å; P146-H148 PolarHBondContact O-N 2.87Å; P146-H148 PolarHBondContact O-ND1 3Å; P146-I193 HydrophobicContact CB-CG2 3.85Å; P146-I193 HydrophobicContact CG-CG2 3.49Å; P146-I193 VanDerWaalsContact CG-CG2 3.49Å; P146-I194 VanDerWaalsContact CB-O 3.31Å; P146-I194 WeakPolarHBondContact CB-O 3.4Å; P146-R195 HydrophobicContact CB-CB 3.84Å
147E95.8Very high95.4Very high115 Ų11581.4 Ų81.454%0.53741%0.412SS..EExtended strand (participates in β ladder)trans-70130.5176.1-171.9-175.4174.100110.4I149 I193 I194E147-I149 HydrophobicContact CG-CG1 4.3Å; E147-I193 WeakPolarHBondContact O-CA 3.42Å; E147-I194 HydrophobicContact CB-CB 4.35Å; E147-I194 PolarHBondContact N-O 2.87Å; E147-I194 PolarHBondContact O-N 3.26Å
148H96.8Very high95.5Very high25 Ų2580.7 Ų80.712%0.11641%0.406CS..EExtended strand (participates in β ladder)trans-117.1125179-70.175.7000109.4P146 V179 F183 V191 K192P146-H148 PolarHBondContact O-CE1 3.47Å; P146-H148 PolarHBondContact O-N 2.87Å; P146-H148 PolarHBondContact O-ND1 3Å; H148-V179 HydrophobicContact CB-CG1 4.12Å; H148-F183 HydrophobicContact CB-CD2 4.29Å; H148-F183 HydrophobicContact CB-CE2 3.75Å; H148-F183 HydrophobicContact CB-CZ 4.36Å; H148-F183 WeakPolarHBondContact O-CZ 3.34Å; H148-V191 HydrophobicContact CB-CG2 3.77Å; H148-K192 CarbonylContact C-O 3.54Å; H148-K192 WeakPolarHBondContact CA-O 3.32Å
149I95.6Very high95.6Very high64 Ų6480.9 Ų80.933%0.32841%0.407SS..EExtended strand (participates in β ladder)trans-121.8122.8-179.3-55.5173.4000108.2E147 M151 V191 K192 I194E147-I149 HydrophobicContact CG-CG1 4.3Å; I149-M151 PolarHBondContact O-N 3.39Å; I149-V191 WeakPolarHBondContact O-CG2 3.48Å; I149-K192 HydrophobicContact CB-CB 4.37Å; I149-K192 PolarHBondContact N-O 2.9Å; I149-K192 PolarHBondContact O-N 2.81Å; I149-I194 HydrophobicContact CD1-CD1 3.73Å
150V94.9Very high95.6Very high54 Ų5479.5 Ų79.533%0.32740%0.4SS..EExtended strand (participates in β ladder)trans-71.6126.5177.1-169.70000109F183 L185V150-F183 HydrophobicContact CG2-CB 4.23Å; V150-F183 HydrophobicContact CG2-CD1 4.25Å; V150-F183 HydrophobicContact CG2-CG 4.4Å; V150-L185 HydrophobicContact CB-CD2 4.46Å; V150-L185 HydrophobicContact CG1-CD2 4.07Å; V150-L185 HydrophobicContact CG2-CD2 3.61Å
151M95.2Very high95.7Very high26 Ų2680.9 Ų80.913%0.12842%0.416CS..PPolyproline II helixtrans-89.3140.9179.3-61.2-174.87000111.3I149 E155 V156 L159 V190 K192 Y206I149-M151 PolarHBondContact O-N 3.39Å; M151-E155 WeakPolarHBondContact CA-OE2 3.15Å; M151-E155 HydrophobicContact CB-CB 4.38Å; M151-E155 HydrophobicContact CE-CB 3.64Å; M151-V156 HydrophobicContact CB-CG2 3.71Å; M151-L159 HydrophobicContact CE-CB 4.34Å; M151-L159 HydrophobicContact CE-CD2 4.31Å; M151-L159 HydrophobicContact SD-CD2 4.28Å; M151-V190 WeakPolarHBondContact CB-O 3.34Å; M151-V190 PolarHBondContact N-O 2.9Å; M151-V190 HydrophobicContact SD-CG1 3.96Å; M151-K192 HydrophobicContact CG-CB 3.95Å; M151-K192 HydrophobicContact SD-CB 3.96Å; M151-Y206 HydrophobicContact CE-CD1 4.39Å; M151-Y206 HydrophobicContact CE-CE1 4.14Å; M151-Y206 HydrophobicContact SD-CD1 3.47Å; M151-Y206 WeakPolarHBondContact SD-CD1 3.32Å; M151-Y206 HydrophobicContact SD-CE1 3.72Å
152T94.6Very high95.8Very high70 Ų7083.1 Ų83.143%0.42942%0.419SS..PPolyproline II helixtrans-70.7161.8169.361.70000111E154 E155 V156T152-E154 WeakPolarHBondContact CB-OE2 3.38Å; T152-E154 PolarHBondContact O-N 2.91Å; T152-E155 PolarHBondContact N-OE2 2.96Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 WeakPolarHBondContact OG1-CB 3.1Å; T152-E155 VanDerWaalsContact OG1-CD 3.27Å; T152-E155 WeakPolarHBondContact OG1-CG 3.39Å; T152-E155 PolarHBondContact OG1-N 3.3Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; T152-V156 VanDerWaalsContact O-CG2 3.32Å; T152-V156 WeakPolarHBondContact O-CG2 3.46Å; T152-V156 PolarHBondContact O-N 3.25Å
153K94.5Very high95.8Very high171 Ų17184.6 Ų84.674%0.74342%0.421SS*.Hα-helixtrans-64.3-33.3-178.6-69.2-179.6-179.9174.70111.5V156 T157K153-V156 PolarHBondContact O-N 3.37Å; K153-T157 WeakPolarHBondContact O-CB 3.21Å; K153-T157 PolarHBondContact O-N 3.44Å; K153-T157 PolarHBondContact O-OG1 3.5Å
154E96Very high95.9Very high135 Ų13584.6 Ų84.663%0.63142%0.418SS*.Hα-helixtrans-65.1-49.8177.6-63.168.2-149.400110.1T152 V156 T157 E158T152-E154 WeakPolarHBondContact CB-OE2 3.38Å; T152-E154 PolarHBondContact O-N 2.91Å; E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.38Å; E154-T157 WeakPolarHBondContact O-CB 3.19Å; E154-T157 PolarHBondContact O-N 3.43Å; E154-E158 PolarHBondContact O-N 3.22Å
155E96.4Very high96Very high87 Ų8780.8 Ų80.841%0.40740%0.398SS..Hα-helixtrans-63-38176.6-70.3169.5131.800112.3M151 T152 E158 L159M151-E155 WeakPolarHBondContact CA-OE2 3.15Å; M151-E155 HydrophobicContact CB-CB 4.38Å; M151-E155 HydrophobicContact CE-CB 3.64Å; T152-E155 PolarHBondContact N-OE2 2.96Å; T152-E155 PolarHBondContact O-N 2.94Å; T152-E155 WeakPolarHBondContact OG1-CB 3.1Å; T152-E155 VanDerWaalsContact OG1-CD 3.27Å; T152-E155 WeakPolarHBondContact OG1-CG 3.39Å; T152-E155 PolarHBondContact OG1-N 3.3Å; T152-E155 PolarHBondContact OG1-OE2 2.88Å; E155-E158 PolarHBondContact O-N 3.49Å; E155-L159 WeakPolarHBondContact O-CB 3.47Å; E155-L159 PolarHBondContact O-N 2.91Å
156V96.6Very high95.9Very high15 Ų1586.2 Ų86.29%0.09142%0.419CS..Hα-helixtrans-65.2-42.5175.3174.20000111M151 T152 K153 E154 E158 L159 L160 V190M151-V156 HydrophobicContact CB-CG2 3.71Å; T152-V156 VanDerWaalsContact O-CG2 3.32Å; T152-V156 WeakPolarHBondContact O-CG2 3.46Å; T152-V156 PolarHBondContact O-N 3.25Å; K153-V156 PolarHBondContact O-N 3.37Å; E154-V156 VanDerWaalsContact C-N 3.33Å; E154-V156 PolarHBondContact O-N 3.38Å; V156-E158 VanDerWaalsContact C-N 3.31Å; V156-E158 PolarHBondContact O-N 3.14Å; V156-L159 WeakPolarHBondContact O-CB 3.45Å; V156-L159 PolarHBondContact O-N 3.08Å; V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.32Å; V156-L160 PolarHBondContact O-N 3.02Å; V156-V190 HydrophobicContact CG1-CG2 3.89Å; V156-V190 HydrophobicContact CG2-CB 3.62Å; V156-V190 HydrophobicContact CG2-CG1 4.38Å; V156-V190 HydrophobicContact CG2-CG2 3.84Å
157T96.5Very high95.8Very high96 Ų9689.3 Ų89.359%0.58943%0.43SS*.Hα-helixtrans-61.4-43.4177-57.60000110.7K153 E154 L160 A161K153-T157 WeakPolarHBondContact O-CB 3.21Å; K153-T157 PolarHBondContact O-N 3.44Å; K153-T157 PolarHBondContact O-OG1 3.5Å; E154-T157 WeakPolarHBondContact O-CB 3.19Å; E154-T157 PolarHBondContact O-N 3.43Å; T157-L160 PolarHBondContact O-N 3.46Å; T157-A161 WeakPolarHBondContact O-CB 3.35Å; T157-A161 PolarHBondContact O-N 2.84Å
158E97.1Very high95.6Very high107 Ų10787.4 Ų87.450%0.543%0.429SS..Hα-helixtrans-63.7-43.6176-165.5-168.9157.100112E154 E155 V156 L160 A161 R162E154-E158 PolarHBondContact O-N 3.22Å; E155-E158 PolarHBondContact O-N 3.49Å; V156-E158 VanDerWaalsContact C-N 3.31Å; V156-E158 PolarHBondContact O-N 3.14Å; E158-L160 PolarHBondContact O-N 3.36Å; E158-A161 PolarHBondContact O-N 3.43Å; E158-R162 VanDerWaalsContact O-CB 3.24Å; E158-R162 WeakPolarHBondContact O-CB 3.01Å; E158-R162 PolarHBondContact O-N 2.82Å; E158-R162 IonicContact OE1-CZ 3.67Å; E158-R162 IonicContact OE1-NE 3.99Å; E158-R162 IonicContact OE1-NH2 2.65Å; E158-R162 PolarHBondContact OE1-NH2 3Å
159L96.3Very high95.6Very high9 Ų991.8 Ų91.85%0.04745%0.45CS..Hα-helixtrans-56.6-51.4176.4174.270.9000111.4M151 E155 V156 A161 R162 Y163 Y206M151-L159 HydrophobicContact CE-CB 4.34Å; M151-L159 HydrophobicContact CE-CD2 4.31Å; M151-L159 HydrophobicContact SD-CD2 4.28Å; E155-L159 WeakPolarHBondContact O-CB 3.47Å; E155-L159 PolarHBondContact O-N 2.91Å; V156-L159 WeakPolarHBondContact O-CB 3.45Å; V156-L159 PolarHBondContact O-N 3.08Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.91Å; L159-R162 PolarHBondContact O-N 3.46Å; L159-Y163 HydrophobicContact CD1-CD2 3.59Å; L159-Y163 HydrophobicContact CD1-CE2 3.57Å; L159-Y163 HydrophobicContact CG-CD2 4.43Å; L159-Y163 WeakPolarHBondContact O-CD2 3.3Å; L159-Y163 PolarHBondContact O-N 2.83Å; L159-Y163 VanDerWaalsContact O-N 3.13Å; L159-Y206 HydrophobicContact CD1-CD1 4.31Å; L159-Y206 HydrophobicContact CD1-CD2 3.75Å; L159-Y206 HydrophobicContact CD1-CE1 4.05Å; L159-Y206 HydrophobicContact CD1-CE2 3.47Å; L159-Y206 VanDerWaalsContact CD1-CE2 3.47Å; L159-Y206 HydrophobicContact CD1-CG 4.16Å; L159-Y206 HydrophobicContact CD2-CD1 3.75Å; L159-Y206 HydrophobicContact CD2-CD2 4.03Å; L159-Y206 HydrophobicContact CD2-CE1 4.21Å; L159-Y206 HydrophobicContact CD2-CE2 4.48Å; L159-Y206 HydrophobicContact CD2-CG 3.64Å
160L96.5Very high95.6Very high25 Ų2589.2 Ų89.213%0.13144%0.437CS..Hα-helixtrans-63.9-40.7-179-66.7174000111.4V156 T157 E158 K164 L165 E167 L170V156-L160 HydrophobicContact CG1-CD1 4.01Å; V156-L160 HydrophobicContact CG1-CG 4.35Å; V156-L160 VanDerWaalsContact O-CG 3.29Å; V156-L160 WeakPolarHBondContact O-CG 3.32Å; V156-L160 PolarHBondContact O-N 3.02Å; T157-L160 PolarHBondContact O-N 3.46Å; E158-L160 PolarHBondContact O-N 3.36Å; L160-K164 CarbonylContact O-C 3.6Å; L160-K164 WeakPolarHBondContact O-CA 3.33Å; L160-K164 PolarHBondContact O-N 2.97Å; L160-L165 HydrophobicContact CD2-CB 4.02Å; L160-L165 PolarHBondContact O-N 2.77Å; L160-E167 HydrophobicContact CD1-CG 3.62Å; L160-L170 HydrophobicContact CD2-CD1 4.21Å; L160-L170 HydrophobicContact CD2-CG 4.46Å
161A96.9Very high95.7Very high69 Ų6990 Ų9057%0.5744%0.443SS*.Hα-helixtrans-64.7-45.8176.300000112T157 E158 L159 Y163 K164T157-A161 WeakPolarHBondContact O-CB 3.35Å; T157-A161 PolarHBondContact O-N 2.84Å; E158-A161 PolarHBondContact O-N 3.43Å; L159-A161 VanDerWaalsContact C-N 3.34Å; L159-A161 PolarHBondContact O-N 2.91Å; A161-Y163 PolarHBondContact O-N 2.76Å; A161-K164 PolarHBondContact O-N 3.38Å
162R96.9Very high95.8Very high165 Ų16594 Ų9462%0.62346%0.456SS*.Hα-helixtrans-60.6-45.1-178.3-175-177.2-65.2-171.1-0.7112.2E158 L159E158-R162 VanDerWaalsContact O-CB 3.24Å; E158-R162 WeakPolarHBondContact O-CB 3.01Å; E158-R162 PolarHBondContact O-N 2.82Å; E158-R162 IonicContact OE1-CZ 3.67Å; E158-R162 IonicContact OE1-NE 3.99Å; E158-R162 IonicContact OE1-NH2 2.65Å; E158-R162 PolarHBondContact OE1-NH2 3Å; L159-R162 PolarHBondContact O-N 3.46Å
163Y95.9Very high95.9Very high131 Ų13191.1 Ų91.151%0.51444%0.438SS..Hα-helixtrans-93.4-0.5-179.8-66.6-76.1000113.8L159 A161 L165L159-Y163 HydrophobicContact CD1-CD2 3.59Å; L159-Y163 HydrophobicContact CD1-CE2 3.57Å; L159-Y163 HydrophobicContact CG-CD2 4.43Å; L159-Y163 WeakPolarHBondContact O-CD2 3.3Å; L159-Y163 PolarHBondContact O-N 2.83Å; L159-Y163 VanDerWaalsContact O-N 3.13Å; A161-Y163 PolarHBondContact O-N 2.76Å; Y163-L165 HydrophobicContact CG-CD1 4.42Å; Y163-L165 PolarHBondContact O-N 2.56Å
164K96.1Very high96Very high191 Ų19190.1 Ų90.183%0.8344%0.436SS*.THydrogen-bonded Turntrans51.742.6-175.2-56.7-179.1-179.4-179.70112.3L160 A161L160-K164 CarbonylContact O-C 3.6Å; L160-K164 WeakPolarHBondContact O-CA 3.33Å; L160-K164 PolarHBondContact O-N 2.97Å; A161-K164 PolarHBondContact O-N 3.38Å
165L95.2Very high95.8Very high63 Ų6385.3 Ų85.333%0.3342%0.42SS..  trans-98.9154.9-178.4-64.9174.1000111.4L160 Y163 Q169 L170L160-L165 HydrophobicContact CD2-CB 4.02Å; L160-L165 PolarHBondContact O-N 2.77Å; Y163-L165 HydrophobicContact CG-CD1 4.42Å; Y163-L165 PolarHBondContact O-N 2.56Å; L165-Q169 HydrophobicContact CD2-CB 4.49Å; L165-L170 HydrophobicContact CD1-CD2 4.3Å
166K94.6Very high95.7Very high152 Ų15283.8 Ų83.866%0.66143%0.427SS*.  trans-94.9149.2162.4-60.3-178.7-179.4-179.10109S168 Q169K166-S168 PolarHBondContact O-N 3.46Å; K166-S168 VanDerWaalsContact O-N 3.11Å; K166-Q169 HydrophobicContact CB-CG 4.3Å; K166-Q169 WeakPolarHBondContact O-CB 3.21Å; K166-Q169 PolarHBondContact O-N 3.47Å
167E92.4Very high95.7Very high105 Ų10585.7 Ų85.749%0.49144%0.437SS..G310 helixtrans-51.7-37.8176.2-69.3179.2-178.500112.7L160 Q169 L170 L208L160-E167 HydrophobicContact CD1-CG 3.62Å; E167-Q169 PolarHBondContact O-N 3.21Å; E167-Q169 VanDerWaalsContact O-N 3.11Å; E167-L170 WeakPolarHBondContact O-CB 3.37Å; E167-L170 PolarHBondContact O-N 3.38Å; E167-L208 HydrophobicContact CB-CD2 4.44Å
168S93.3Very high95.6Very high76 Ų7685 Ų8553%0.53143%0.434SS..G310 helixtrans-62.4-18.8179.659.20000114.6K166K166-S168 PolarHBondContact O-N 3.46Å; K166-S168 VanDerWaalsContact O-N 3.11Å
169Q95.2Very high95.6Very high116 Ų11680.4 Ų80.454%0.54241%0.413SS..G310 helixtrans-88.9-11.3179.3-60.1176-63.500112.5L165 K166 E167L165-Q169 HydrophobicContact CD2-CB 4.49Å; K166-Q169 HydrophobicContact CB-CG 4.3Å; K166-Q169 WeakPolarHBondContact O-CB 3.21Å; K166-Q169 PolarHBondContact O-N 3.47Å; E167-Q169 PolarHBondContact O-N 3.21Å; E167-Q169 VanDerWaalsContact O-N 3.11Å
170L96.1Very high95.6Very high11 Ų1180 Ų806%0.05841%0.412CS..SBendtrans-69.4137.7175.6-66.1177000110.1L160 L165 E167 V190 L208L160-L170 HydrophobicContact CD2-CD1 4.21Å; L160-L170 HydrophobicContact CD2-CG 4.46Å; L165-L170 HydrophobicContact CD1-CD2 4.3Å; E167-L170 WeakPolarHBondContact O-CB 3.37Å; E167-L170 PolarHBondContact O-N 3.38Å; L170-V190 HydrophobicContact CD1-CG1 4.3Å; L170-V190 HydrophobicContact CD1-CG2 3.9Å; L170-L208 HydrophobicContact CB-CB 4.01Å; L170-L208 HydrophobicContact CD1-CB 4.41Å
171P97.2Very high95.6Very high69 Ų6982.3 Ų82.345%0.44842%0.418SS..  trans-54.4150.7168.1-2332.8000110.7R207 L208P171-R207 HydrophobicContact CB-CG 4.34Å; P171-R207 CarbonylContact O-C 3.45Å; P171-R207 WeakPolarHBondContact O-CA 3.45Å; P171-L208 PolarHBondContact O-N 3.09Å
172R97.1Very high95.6Very high111 Ų11179.3 Ų79.342%0.41939%0.392SS..EExtended strand (participates in β ladder)trans-106.2150.7-171.9-54.8-168.1-178.4-143.7-5.9112.5R207 L208R172-R207 PolarHBondContact O-NH1 3.18Å; R172-L208 CarbonylContact C-O 3.42Å; R172-L208 VanDerWaalsContact CA-O 3.28Å; R172-L208 WeakPolarHBondContact CA-O 3.19Å
173I97Very high95.5Very high10 Ų1073.1 Ų73.15%0.05137%0.37CS..EExtended strand (participates in β ladder)trans-124.4137.8166.6-173.8169.8000107.7D177 A180 V191 R207 L208 V209 Q210I173-D177 HydrophobicContact CD1-CB 4.12Å; I173-D177 HydrophobicContact CG1-CB 3.85Å; I173-A180 HydrophobicContact CD1-CB 4.34Å; I173-V191 HydrophobicContact CG2-CG1 4.3Å; I173-R207 HydrophobicContact CB-CB 4.09Å; I173-R207 HydrophobicContact CG2-CB 3.97Å; I173-L208 PolarHBondContact N-O 2.62Å; I173-V209 HydrophobicContact CG2-CB 4.28Å; I173-V209 HydrophobicContact CG2-CG2 3.71Å; I173-V209 CarbonylContact O-C 3.35Å; I173-V209 WeakPolarHBondContact O-CA 3.39Å; I173-Q210 PolarHBondContact O-N 3.2Å
174Q96.6Very high95.4Very high150 Ų15067.4 Ų67.470%0.70135%0.351SS*.  trans-75.1140.6178.8-66.6-176.1-17.200109.6G176 D177 A180 Q210Q174-G176 PolarHBondContact O-N 3.32Å; Q174-G176 VanDerWaalsContact O-N 3.15Å; Q174-D177 WeakPolarHBondContact O-CB 3.35Å; Q174-D177 PolarHBondContact O-N 3.24Å; Q174-A180 WeakPolarHBondContact O-CB 3.44Å; Q174-Q210 CarbonylContact C-O 3.32Å; Q174-Q210 WeakPolarHBondContact CA-O 3.33Å
175A93.1Very high95.4Very high34 Ų3458.8 Ų58.828%0.28131%0.313SS..THydrogen-bonded Turntrans-61.3-21.4172.700000112.8D177 V209 Q210A175-D177 VanDerWaalsContact C-N 3.34Å; A175-V209 HydrophobicContact CB-CG1 4.01Å; A175-Q210 PolarHBondContact N-O 3.39Å
176G93.7Very high95.2Very high55 Ų5559.7 Ų59.757%0.56732%0.315SS*.THydrogen-bonded Turntrans-83.1-4.3173.700000114.9Q174Q174-G176 PolarHBondContact O-N 3.32Å; Q174-G176 VanDerWaalsContact O-N 3.15Å
177D96Very high95.2Very high55 Ų5561.9 Ų61.929%0.29432%0.319SS..SBendtrans-58.8137.4175.2-175.2-70.4000110.1I173 Q174 A175 V179 A180 R181I173-D177 HydrophobicContact CD1-CB 4.12Å; I173-D177 HydrophobicContact CG1-CB 3.85Å; Q174-D177 WeakPolarHBondContact O-CB 3.35Å; Q174-D177 PolarHBondContact O-N 3.24Å; A175-D177 VanDerWaalsContact C-N 3.34Å; D177-V179 VanDerWaalsContact C-N 3.25Å; D177-V179 PolarHBondContact O-N 2.96Å; D177-V179 WeakPolarHBondContact OD1-CB 3.12Å; D177-V179 PolarHBondContact OD1-N 3.36Å; D177-A180 HydrophobicContact CB-CB 3.86Å; D177-A180 WeakPolarHBondContact O-CB 3.47Å; D177-A180 PolarHBondContact O-N 2.64Å; D177-A180 VanDerWaalsContact O-N 3.07Å; D177-R181 PolarHBondContact O-N 3.05Å
178P95.2Very high95.2Very high80 Ų8059.1 Ų59.152%0.51932%0.318SS..Hα-helixtrans-53.5-39.6-179.9-2835.9000113.8I139 R181 Y182I139-P178 HydrophobicContact CD1-CB 3.52Å; P178-R181 PolarHBondContact O-N 3.45Å; P178-Y182 WeakPolarHBondContact O-CB 3.16Å; P178-Y182 PolarHBondContact O-N 3.36Å
179V96.1Very high95.3Very high12 Ų1259 Ų597%0.07331%0.309CS..Hα-helixtrans-73.6-38.3178.3-179.10000110.6I139 V145 H148 D177 R181 Y182 F183I139-V179 HydrophobicContact CD1-CG2 4.1Å; V145-V179 HydrophobicContact CG1-CG2 4.01Å; H148-V179 HydrophobicContact CB-CG1 4.12Å; D177-V179 VanDerWaalsContact C-N 3.25Å; D177-V179 PolarHBondContact O-N 2.96Å; D177-V179 WeakPolarHBondContact OD1-CB 3.12Å; D177-V179 PolarHBondContact OD1-N 3.36Å; V179-R181 VanDerWaalsContact C-N 3.3Å; V179-R181 PolarHBondContact O-N 3.41Å; V179-Y182 WeakPolarHBondContact O-CB 3.46Å; V179-Y182 PolarHBondContact O-N 2.69Å; V179-F183 HydrophobicContact CG1-CD2 3.8Å; V179-F183 HydrophobicContact CG1-CE2 3.85Å; V179-F183 WeakPolarHBondContact O-CD2 3.42Å; V179-F183 PolarHBondContact O-N 3.49Å
180A96.4Very high95.4Very high1 Ų153.5 Ų53.51%0.00828%0.284CS..Hα-helixtrans-62-40.5174.200000111.7I173 Q174 D177 G184 L185I173-A180 HydrophobicContact CD1-CB 4.34Å; Q174-A180 WeakPolarHBondContact O-CB 3.44Å; D177-A180 HydrophobicContact CB-CB 3.86Å; D177-A180 WeakPolarHBondContact O-CB 3.47Å; D177-A180 PolarHBondContact O-N 2.64Å; D177-A180 VanDerWaalsContact O-N 3.07Å; A180-G184 PolarHBondContact O-N 3.03Å; A180-G184 VanDerWaalsContact O-N 3.12Å; A180-L185 HydrophobicContact CB-CB 4.28Å; A180-L185 HydrophobicContact CB-CD1 4.03Å; A180-L185 HydrophobicContact CB-CG 4.39Å; A180-L185 PolarHBondContact O-N 3.14Å
181R95.9Very high95.5Very high72 Ų7253 Ų5327%0.27228%0.282SS..Hα-helixtrans-64.8-43171.9-72.5179.961.8-150.4-7.4111.5R24 Q129 F130 E134 D177 P178 V179 F183 G184R24-R181 PolarHBondContact NH2-O 3.3Å; Q129-R181 PolarHBondContact O-NH2 2.75Å; F130-R181 HydrophobicContact CE1-CB 4.47Å; F130-R181 HydrophobicContact CZ-CB 4.48Å; F130-R181 WeakPolarHBondContact CZ-O 3.44Å; E134-R181 IonicContact OE1-CZ 3.42Å; E134-R181 IonicContact OE1-NH1 3.3Å; E134-R181 PolarHBondContact OE1-NH1 2.93Å; E134-R181 IonicContact OE1-NH2 2.84Å; E134-R181 IonicContact OE2-CZ 3.69Å; E134-R181 IonicContact OE2-NH1 2.87Å; E134-R181 PolarHBondContact OE2-NH1 2.97Å; E134-R181 IonicContact OE2-NH2 2.77Å; E134-R181 PolarHBondContact OE2-NH2 3.26Å; D177-R181 PolarHBondContact O-N 3.05Å; P178-R181 PolarHBondContact O-N 3.45Å; V179-R181 VanDerWaalsContact C-N 3.3Å; V179-R181 PolarHBondContact O-N 3.41Å; R181-F183 PolarHBondContact O-N 3.44Å; R181-G184 PolarHBondContact O-N 3.18Å
182Y96.9Very high95.5Very high6 Ų652.6 Ų52.62%0.02427%0.272CS..Hα-helixtrans-55.2-48178.2-175.7-87.9000111.9L20 D23 R24 N138 T140 P178 V179 G184L20-Y182 WeakPolarHBondContact CA-OH 3.35Å; L20-Y182 HydrophobicContact CB-CD2 4.38Å; L20-Y182 HydrophobicContact CB-CE1 4.5Å; L20-Y182 HydrophobicContact CB-CE2 3.73Å; L20-Y182 HydrophobicContact CD1-CD2 3.7Å; L20-Y182 HydrophobicContact CD1-CE2 3.9Å; L20-Y182 HydrophobicContact CD1-CG 4.23Å; L20-Y182 HydrophobicContact CG-CD2 4.1Å; L20-Y182 HydrophobicContact CG-CE1 4.45Å; L20-Y182 HydrophobicContact CG-CE2 3.95Å; L20-Y182 HydrophobicContact CG-CG 4.43Å; L20-Y182 PolarHBondContact N-OH 3.36Å; D23-Y182 HydrophobicContact CB-CE1 3.92Å; D23-Y182 WeakPolarHBondContact OD2-CE1 3.47Å; D23-Y182 PolarHBondContact OD2-OH 3.15Å; R24-Y182 PolarHBondContact NE-O 2.98Å; R24-Y182 PolarHBondContact NH2-O 2.99Å; N138-Y182 PolarHBondContact ND2-OH 2.96Å; N138-Y182 WeakPolarHBondContact OD1-CE2 3.42Å; T140-Y182 HydrophobicContact CG2-CD1 3.68Å; T140-Y182 HydrophobicContact CG2-CD2 4.18Å; T140-Y182 HydrophobicContact CG2-CE1 3.52Å; T140-Y182 HydrophobicContact CG2-CE2 4.03Å; T140-Y182 HydrophobicContact CG2-CG 4Å; P178-Y182 WeakPolarHBondContact O-CB 3.16Å; P178-Y182 PolarHBondContact O-N 3.36Å; V179-Y182 WeakPolarHBondContact O-CB 3.46Å; V179-Y182 PolarHBondContact O-N 2.69Å; Y182-G184 VanDerWaalsContact C-N 3.31Å; Y182-G184 PolarHBondContact O-N 3.28Å
183F95.8Very high95.5Very high36 Ų3647.7 Ų47.716%0.15826%0.255CS..THydrogen-bonded Turntrans-83.30.4177.4-72.3-76.2000114.5D23 T140 H148 V150 V179 R181 L185D23-F183 HydrophobicContact CB-CE1 4.19Å; T140-F183 HydrophobicContact CG2-CE2 4.49Å; H148-F183 HydrophobicContact CB-CD2 4.29Å; H148-F183 HydrophobicContact CB-CE2 3.75Å; H148-F183 HydrophobicContact CB-CZ 4.36Å; H148-F183 WeakPolarHBondContact O-CZ 3.34Å; V150-F183 HydrophobicContact CG2-CB 4.23Å; V150-F183 HydrophobicContact CG2-CD1 4.25Å; V150-F183 HydrophobicContact CG2-CG 4.4Å; V179-F183 HydrophobicContact CG1-CD2 3.8Å; V179-F183 HydrophobicContact CG1-CE2 3.85Å; V179-F183 WeakPolarHBondContact O-CD2 3.42Å; V179-F183 PolarHBondContact O-N 3.49Å; R181-F183 PolarHBondContact O-N 3.44Å; F183-L185 VanDerWaalsContact C-N 3.25Å; F183-L185 HydrophobicContact CB-CD2 3.72Å; F183-L185 HydrophobicContact CB-CG 3.9Å; F183-L185 PolarHBondContact O-N 3.01Å
184G94.2Very high95.5Very high10 Ų1048.7 Ų48.710%0.10326%0.26CS..THydrogen-bonded Turntrans66.426.6179.600000113.7A180 R181 Y182 K186A180-G184 PolarHBondContact O-N 3.03Å; A180-G184 VanDerWaalsContact O-N 3.12Å; R181-G184 PolarHBondContact O-N 3.18Å; Y182-G184 VanDerWaalsContact C-N 3.31Å; Y182-G184 PolarHBondContact O-N 3.28Å; G184-K186 WeakPolarHBondContact O-CE 3.17Å
185L94.8Very high95.4Very high10 Ų1047.2 Ų47.25%0.05225%0.248CC..  trans-61.6139.4-172.3-57.4-174.2000112.1V150 A180 F183 V191 V209V150-L185 HydrophobicContact CB-CD2 4.46Å; V150-L185 HydrophobicContact CG1-CD2 4.07Å; V150-L185 HydrophobicContact CG2-CD2 3.61Å; A180-L185 HydrophobicContact CB-CB 4.28Å; A180-L185 HydrophobicContact CB-CD1 4.03Å; A180-L185 HydrophobicContact CB-CG 4.39Å; A180-L185 PolarHBondContact O-N 3.14Å; F183-L185 VanDerWaalsContact C-N 3.25Å; F183-L185 HydrophobicContact CB-CD2 3.72Å; F183-L185 HydrophobicContact CB-CG 3.9Å; F183-L185 PolarHBondContact O-N 3.01Å; L185-V191 HydrophobicContact CD1-CB 4.23Å; L185-V191 HydrophobicContact CD1-CG1 4.46Å; L185-V209 HydrophobicContact CB-CG1 4.32Å; L185-V209 HydrophobicContact CB-CG2 3.86Å; L185-V209 HydrophobicContact CD1-CG2 3.77Å; L185-V209 HydrophobicContact CG-CG2 4.42Å
186K92.4Very high95.4Very high83 Ų8351 Ų5136%0.36127%0.269SS..  trans-109.5154.6177.3-54.2-55.4177-159.30110.7E128 G184 G188 Q189 V209E128-K186 IonicContact OE1-NZ 2.96Å; E128-K186 PolarHBondContact OE1-NZ 2.91Å; G184-K186 WeakPolarHBondContact O-CE 3.17Å; K186-G188 PolarHBondContact O-N 3.41Å; K186-Q189 WeakPolarHBondContact O-CB 3.33Å; K186-Q189 PolarHBondContact O-N 3.23Å; K186-V209 WeakPolarHBondContact O-CB 3.12Å; K186-V209 WeakPolarHBondContact O-CG1 3.48Å
187R93.1Very high95.4Very high198 Ų19849.7 Ų49.775%0.74725%0.251SS*.THydrogen-bonded Turntrans-51.5134.8176.3-73.3-179.4166.7158.20111.1Q189 V209 Q210R187-Q189 VanDerWaalsContact C-N 3.31Å; R187-V209 WeakPolarHBondContact CA-O 3.27Å; R187-Q210 WeakPolarHBondContact CG-OXT 3.26Å; R187-Q210 PolarHBondContact NE-OXT 2.79Å; R187-Q210 PolarHBondContact NH2-OXT 2.88Å
188G93.6Very high95.2Very high46 Ų4656.9 Ų56.947%0.47428%0.283SS..THydrogen-bonded Turntrans87.8-12.6-178.300000114.7K186 L208 V209K186-G188 PolarHBondContact O-N 3.41Å; G188-L208 WeakPolarHBondContact O-CD1 3.44Å; G188-V209 PolarHBondContact N-O 2.8Å
189Q95.7Very high95.2Very high73 Ų7359.6 Ų59.634%0.34130%0.299SS..  trans-73.6152.6170.4-66.9-175.1-55.200111K186 R187 V209K186-Q189 WeakPolarHBondContact O-CB 3.33Å; K186-Q189 PolarHBondContact O-N 3.23Å; R187-Q189 VanDerWaalsContact C-N 3.31Å; Q189-V209 HydrophobicContact CB-CG2 4.41Å; Q189-V209 VanDerWaalsContact O-CG2 3.29Å; Q189-V209 WeakPolarHBondContact O-CG2 3.44Å; Q189-V209 PolarHBondContact O-N 3.36Å
190V96.9Very high94.9Very high2 Ų262.2 Ų62.21%0.01232%0.322CS..EExtended strand (participates in β ladder)trans-115.2136.2176.7-179.90000108.9M151 V156 L170 R207 L208M151-V190 WeakPolarHBondContact CB-O 3.34Å; M151-V190 PolarHBondContact N-O 2.9Å; M151-V190 HydrophobicContact SD-CG1 3.96Å; V156-V190 HydrophobicContact CG1-CG2 3.89Å; V156-V190 HydrophobicContact CG2-CB 3.62Å; V156-V190 HydrophobicContact CG2-CG1 4.38Å; V156-V190 HydrophobicContact CG2-CG2 3.84Å; L170-V190 HydrophobicContact CD1-CG1 4.3Å; L170-V190 HydrophobicContact CD1-CG2 3.9Å; V190-R207 CarbonylContact C-O 3.56Å; V190-R207 VanDerWaalsContact CA-O 3.28Å; V190-R207 WeakPolarHBondContact CA-O 3.46Å; V190-L208 HydrophobicContact CG2-CD1 3.77Å
191V97.3Very high94.7Very high1 Ų164.5 Ų64.51%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-111.4131.9174.4640000109.5H148 I149 I173 L185 I193 Y206 R207H148-V191 HydrophobicContact CB-CG2 3.77Å; I149-V191 WeakPolarHBondContact O-CG2 3.48Å; I173-V191 HydrophobicContact CG2-CG1 4.3Å; L185-V191 HydrophobicContact CD1-CB 4.23Å; L185-V191 HydrophobicContact CD1-CG1 4.46Å; V191-I193 HydrophobicContact CG1-CD1 4.37Å; V191-I193 HydrophobicContact CG1-CG1 4.25Å; V191-I193 HydrophobicContact CG2-CG1 4.5Å; V191-Y206 CarbonylContact O-C 3.58Å; V191-Y206 WeakPolarHBondContact O-CA 3.23Å; V191-R207 HydrophobicContact CG1-CB 3.98Å; V191-R207 PolarHBondContact N-O 3.28Å; V191-R207 PolarHBondContact O-N 3.29Å
192K97.5Very high94.6Very high59 Ų5970.6 Ų70.626%0.25737%0.368SS..EExtended strand (participates in β ladder)trans-86131.3168.3176.7-176.9177.8-172.10108.3H148 I149 M151 I194 I204 Y206H148-K192 CarbonylContact C-O 3.54Å; H148-K192 WeakPolarHBondContact CA-O 3.32Å; I149-K192 HydrophobicContact CB-CB 4.37Å; I149-K192 PolarHBondContact N-O 2.9Å; I149-K192 PolarHBondContact O-N 2.81Å; M151-K192 HydrophobicContact CG-CB 3.95Å; M151-K192 HydrophobicContact SD-CB 3.96Å; K192-I194 HydrophobicContact CG-CG1 4.44Å; K192-I204 HydrophobicContact CD-CG2 4.3Å; K192-I204 HydrophobicContact CG-CG2 3.85Å; K192-Y206 HydrophobicContact CB-CD1 3.93Å; K192-Y206 HydrophobicContact CB-CE1 3.9Å; K192-Y206 HydrophobicContact CD-CE1 4.12Å; K192-Y206 HydrophobicContact CG-CD1 4.12Å; K192-Y206 HydrophobicContact CG-CE1 3.68Å
193I97.6Very high94.5Very high9 Ų975.1 Ų75.15%0.04639%0.386CS..EExtended strand (participates in β ladder)trans-119.3122.2-178.3-52.3178.6000108.2P146 E147 V191 I204 T205 R207P146-I193 HydrophobicContact CB-CG2 3.85Å; P146-I193 HydrophobicContact CG-CG2 3.49Å; P146-I193 VanDerWaalsContact CG-CG2 3.49Å; E147-I193 WeakPolarHBondContact O-CA 3.42Å; V191-I193 HydrophobicContact CG1-CD1 4.37Å; V191-I193 HydrophobicContact CG1-CG1 4.25Å; V191-I193 HydrophobicContact CG2-CG1 4.5Å; I193-I204 WeakPolarHBondContact O-CA 3.48Å; I193-T205 HydrophobicContact CB-CG2 3.75Å; I193-T205 HydrophobicContact CD1-CG2 4.37Å; I193-T205 HydrophobicContact CG1-CG2 4.44Å; I193-T205 HydrophobicContact CG2-CG2 4.33Å; I193-T205 PolarHBondContact N-O 3.27Å; I193-T205 PolarHBondContact O-N 2.91Å; I193-R207 HydrophobicContact CD1-CB 4.43Å; I193-R207 HydrophobicContact CD1-CG 3.84Å
194I96.5Very high94.6Very high30 Ų3077 Ų7715%0.15440%0.397CS..EExtended strand (participates in β ladder)trans-108.4113.9178.1-51.9176.7000107.5P146 E147 I149 K192 I204P146-I194 VanDerWaalsContact CB-O 3.31Å; P146-I194 WeakPolarHBondContact CB-O 3.4Å; E147-I194 HydrophobicContact CB-CB 4.35Å; E147-I194 PolarHBondContact N-O 2.87Å; E147-I194 PolarHBondContact O-N 3.26Å; I149-I194 HydrophobicContact CD1-CD1 3.73Å; K192-I194 HydrophobicContact CG-CG1 4.44Å; I194-I204 HydrophobicContact CG1-CG1 4.5Å
195R95.4Very high94.7Very high120 Ų12078 Ų7845%0.45340%0.401SS..EExtended strand (participates in β ladder)trans-119.2147.1179.466.8-179.7-178.3-177.9-3.1111.9P146 Y203P146-R195 HydrophobicContact CB-CB 3.84Å; R195-Y203 HydrophobicContact CG-CD1 3.99Å; R195-Y203 HydrophobicContact CG-CG 4.48Å; R195-Y203 PolarHBondContact N-O 2.93Å; R195-Y203 VanDerWaalsContact NH2-CD1 3.31Å; R195-Y203 PolarHBondContact O-N 2.59Å
196P93.1Very high94.8Very high112 Ų11279.5 Ų79.573%0.72741%0.406SS*.EExtended strand (participates in β ladder)trans-61.8143.9168.427.6-33.4000109.7
197S93.4Very high95.1Very high28 Ų2880.4 Ų80.420%0.19641%0.407CS..EExtended strand (participates in β ladder)trans-135.2127.3178.9175.70000109.3T199 A200 G201S197-T199 PolarHBondContact O-N 3.03Å; S197-T199 PolarHBondContact OG-OG1 3.23Å; S197-A200 PolarHBondContact OG-N 2.92Å; S197-G201 PolarHBondContact N-O 2.94Å; S197-G201 CarbonylContact O-C 3.54Å; S197-G201 WeakPolarHBondContact O-CA 3.12Å; S197-G201 PolarHBondContact O-N 3.15Å
198E92.5Very high95.3Very high206 Ų20671.6 Ų71.696%0.96338%0.375SS*.THydrogen-bonded Turntrans-61.5-32.7178.8-63.6-178.1166.800112.5
199T94.6Very high95.4Very high138 Ų13869.6 Ų69.685%0.84735%0.354SS*.THydrogen-bonded Turntrans-91.7-41.5-17753.70000113.2S197S197-T199 PolarHBondContact O-N 3.03Å; S197-T199 PolarHBondContact OG-OG1 3.23Å
200A89.3Confident95.2Very high67 Ų6771.2 Ų71.255%0.55436%0.361SS*.THydrogen-bonded Turntrans-103.6-1.1-173.200000113.7S197 R202S197-A200 PolarHBondContact OG-N 2.92Å; A200-R202 PolarHBondContact O-N 2.87Å
201G92.6Very high95.2Very high49 Ų4974.7 Ų74.751%0.50538%0.379SS..EExtended strand (participates in β ladder)trans73.4-60.7-169.300000112S197S197-G201 PolarHBondContact N-O 2.94Å; S197-G201 CarbonylContact O-C 3.54Å; S197-G201 WeakPolarHBondContact O-CA 3.12Å; S197-G201 PolarHBondContact O-N 3.15Å
202R93.6Very high95Very high200 Ų20078.6 Ų78.676%0.75540%0.398SS*.EExtended strand (participates in β ladder)trans-129.8136.6174.9-64.4-176.5-177.3-177.6-0.8110.6A200A200-R202 PolarHBondContact O-N 2.87Å
203Y95.8Very high94.9Very high100 Ų10079.7 Ų79.739%0.39241%0.406SS..EExtended strand (participates in β ladder)trans-119.8129.7174.8179-92.4000110.1R195 T205R195-Y203 HydrophobicContact CG-CD1 3.99Å; R195-Y203 HydrophobicContact CG-CG 4.48Å; R195-Y203 PolarHBondContact N-O 2.93Å; R195-Y203 VanDerWaalsContact NH2-CD1 3.31Å; R195-Y203 PolarHBondContact O-N 2.59Å; Y203-T205 HydrophobicContact CE1-CG2 4.33Å
204I96.6Very high94.7Very high77 Ų7783.8 Ų83.840%0.39543%0.427SS..EExtended strand (participates in β ladder)trans-106.6130.8179.7-56.8176.1000108.6K192 I193 I194 Y206K192-I204 HydrophobicContact CD-CG2 4.3Å; K192-I204 HydrophobicContact CG-CG2 3.85Å; I193-I204 WeakPolarHBondContact O-CA 3.48Å; I194-I204 HydrophobicContact CG1-CG1 4.5Å; I204-Y206 HydrophobicContact CG2-CE1 4.12Å; I204-Y206 HydrophobicContact CG2-CE2 4.12Å
205T96.6Very high94.6Very high30 Ų3087.2 Ų87.218%0.18445%0.445CS..EExtended strand (participates in β ladder)trans-135.5165.7173-165.50000111I193 Y203I193-T205 HydrophobicContact CB-CG2 3.75Å; I193-T205 HydrophobicContact CD1-CG2 4.37Å; I193-T205 HydrophobicContact CG1-CG2 4.44Å; I193-T205 HydrophobicContact CG2-CG2 4.33Å; I193-T205 PolarHBondContact N-O 3.27Å; I193-T205 PolarHBondContact O-N 2.91Å; Y203-T205 HydrophobicContact CE1-CG2 4.33Å
206Y97.3Very high94.6Very high41 Ų4185 Ų8516%0.16144%0.444CS..EExtended strand (participates in β ladder)trans-131.9138.1-174.7-53.2-82.8000109.3M151 L159 V191 K192 I204M151-Y206 HydrophobicContact CE-CD1 4.39Å; M151-Y206 HydrophobicContact CE-CE1 4.14Å; M151-Y206 HydrophobicContact SD-CD1 3.47Å; M151-Y206 WeakPolarHBondContact SD-CD1 3.32Å; M151-Y206 HydrophobicContact SD-CE1 3.72Å; L159-Y206 HydrophobicContact CD1-CD1 4.31Å; L159-Y206 HydrophobicContact CD1-CD2 3.75Å; L159-Y206 HydrophobicContact CD1-CE1 4.05Å; L159-Y206 HydrophobicContact CD1-CE2 3.47Å; L159-Y206 VanDerWaalsContact CD1-CE2 3.47Å; L159-Y206 HydrophobicContact CD1-CG 4.16Å; L159-Y206 HydrophobicContact CD2-CD1 3.75Å; L159-Y206 HydrophobicContact CD2-CD2 4.03Å; L159-Y206 HydrophobicContact CD2-CE1 4.21Å; L159-Y206 HydrophobicContact CD2-CE2 4.48Å; L159-Y206 HydrophobicContact CD2-CG 3.64Å; V191-Y206 CarbonylContact O-C 3.58Å; V191-Y206 WeakPolarHBondContact O-CA 3.23Å; K192-Y206 HydrophobicContact CB-CD1 3.93Å; K192-Y206 HydrophobicContact CB-CE1 3.9Å; K192-Y206 HydrophobicContact CD-CE1 4.12Å; K192-Y206 HydrophobicContact CG-CD1 4.12Å; K192-Y206 HydrophobicContact CG-CE1 3.68Å; I204-Y206 HydrophobicContact CG2-CE1 4.12Å; I204-Y206 HydrophobicContact CG2-CE2 4.12Å
207R97.8Very high94.7Very high102 Ų10283.1 Ų83.139%0.38542%0.424SS..EExtended strand (participates in β ladder)trans-130.6137.1177-64.2-166.4174.1-140.69112.2P171 R172 I173 V190 V191 I193P171-R207 HydrophobicContact CB-CG 4.34Å; P171-R207 CarbonylContact O-C 3.45Å; P171-R207 WeakPolarHBondContact O-CA 3.45Å; R172-R207 PolarHBondContact O-NH1 3.18Å; I173-R207 HydrophobicContact CB-CB 4.09Å; I173-R207 HydrophobicContact CG2-CB 3.97Å; V190-R207 CarbonylContact C-O 3.56Å; V190-R207 VanDerWaalsContact CA-O 3.28Å; V190-R207 WeakPolarHBondContact CA-O 3.46Å; V191-R207 HydrophobicContact CG1-CB 3.98Å; V191-R207 PolarHBondContact N-O 3.28Å; V191-R207 PolarHBondContact O-N 3.29Å; I193-R207 HydrophobicContact CD1-CB 4.43Å; I193-R207 HydrophobicContact CD1-CG 3.84Å
208L97.3Very high94.8Very high14 Ų1487.3 Ų87.37%0.07344%0.441CS..EExtended strand (participates in β ladder)trans-90.3133.4173.4-178.771000110.5E167 L170 P171 R172 I173 G188 V190E167-L208 HydrophobicContact CB-CD2 4.44Å; L170-L208 HydrophobicContact CB-CB 4.01Å; L170-L208 HydrophobicContact CD1-CB 4.41Å; P171-L208 PolarHBondContact O-N 3.09Å; R172-L208 CarbonylContact C-O 3.42Å; R172-L208 VanDerWaalsContact CA-O 3.28Å; R172-L208 WeakPolarHBondContact CA-O 3.19Å; I173-L208 PolarHBondContact N-O 2.62Å; G188-L208 WeakPolarHBondContact O-CD1 3.44Å; V190-L208 HydrophobicContact CG2-CD1 3.77Å
209V97Very high95Very high4 Ų477.4 Ų77.42%0.02440%0.398CS..EExtended strand (participates in β ladder)trans-80129-179.2-178.90000110.9I173 A175 L185 K186 R187 G188 Q189I173-V209 HydrophobicContact CG2-CB 4.28Å; I173-V209 HydrophobicContact CG2-CG2 3.71Å; I173-V209 CarbonylContact O-C 3.35Å; I173-V209 WeakPolarHBondContact O-CA 3.39Å; A175-V209 HydrophobicContact CB-CG1 4.01Å; L185-V209 HydrophobicContact CB-CG1 4.32Å; L185-V209 HydrophobicContact CB-CG2 3.86Å; L185-V209 HydrophobicContact CD1-CG2 3.77Å; L185-V209 HydrophobicContact CG-CG2 4.42Å; K186-V209 WeakPolarHBondContact O-CB 3.12Å; K186-V209 WeakPolarHBondContact O-CG1 3.48Å; R187-V209 WeakPolarHBondContact CA-O 3.27Å; G188-V209 PolarHBondContact N-O 2.8Å; Q189-V209 HydrophobicContact CB-CG2 4.41Å; Q189-V209 VanDerWaalsContact O-CG2 3.29Å; Q189-V209 WeakPolarHBondContact O-CG2 3.44Å; Q189-V209 PolarHBondContact O-N 3.36Å
210Q91.7Very high95Very high107 Ų10771.9 Ų71.950%0.536%0.357SS..  trans-126.10178.5-176.2177.73.600113.3I173 Q174 A175 R187I173-Q210 PolarHBondContact O-N 3.2Å; Q174-Q210 CarbonylContact C-O 3.32Å; Q174-Q210 WeakPolarHBondContact CA-O 3.33Å; A175-Q210 PolarHBondContact N-O 3.39Å; R187-Q210 WeakPolarHBondContact CG-OXT 3.26Å; R187-Q210 PolarHBondContact NE-OXT 2.79Å; R187-Q210 PolarHBondContact NH2-OXT 2.88Å

Retrieved 210 of 210 residues in 66.2 ms (Link to these results)

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