A0A077ZDP3_TRITR Loading...

isoleucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A077ZDP3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 914 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
1M58.3Low75.2Confident132 Ų13273.8 Ų73.865%0.6536%0.363SS*.  01190-163.8169.1-81.600108E5 R6 E9M1-E5 WeakPolarHBondContact CA-OE2 3.12Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; M1-R6 HydrophobicContact SD-CB 4.33Å; M1-E9 HydrophobicContact CE-CB 3.82Å; M1-E9 HydrophobicContact CE-CG 3.7Å; M1-E9 HydrophobicContact SD-CB 3.92Å; M1-E9 HydrophobicContact SD-CG 4.27Å
2K66.4Low75.9Confident144 Ų14475.3 Ų75.363%0.62637%0.373SS*.  trans-64149.2168.7-69.1177.2-178.6171.80108.8D4 E5 R6K2-D4 VanDerWaalsContact C-N 3.3Å; K2-D4 PolarHBondContact O-N 2.81Å; K2-E5 HydrophobicContact CB-CG 4.13Å; K2-E5 PolarHBondContact N-OE2 2.89Å; K2-E5 WeakPolarHBondContact O-CB 2.81Å; K2-E5 PolarHBondContact O-N 3.12Å; K2-E5 VanDerWaalsContact O-N 3.1Å; K2-R6 PolarHBondContact O-N 3.16Å
3P61.5Low76.5Confident58 Ų5869.5 Ų69.538%0.37735%0.345SS..THydrogen-bonded Turntrans-21-62.3159.8-48.247.4000117.7E5 R6 P614 P615P3-E5 PolarHBondContact O-N 3.47Å; P3-R6 WeakPolarHBondContact O-CB 3.34Å; P3-R6 PolarHBondContact O-N 3.48Å; P3-R6 VanDerWaalsContact O-N 3.15Å; P3-P614 HydrophobicContact CG-CB 4.23Å; P3-P615 HydrophobicContact CB-CG 3.23Å; P3-P615 HydrophobicContact CG-CG 4.21Å; P3-P615 VanDerWaalsContact O-CG 3.31Å; P3-P615 WeakPolarHBondContact O-CG 3.5Å
4D66.1Low76.4Confident116 Ų11668.5 Ų68.562%0.6235%0.353SS*.THydrogen-bonded Turntrans-71.7-32.8-172.2-53.6-39.8000112.6K2 R6 I7K2-D4 VanDerWaalsContact C-N 3.3Å; K2-D4 PolarHBondContact O-N 2.81Å; D4-R6 PolarHBondContact O-N 2.78Å; D4-R6 VanDerWaalsContact O-N 3.17Å; D4-I7 PolarHBondContact O-N 3.03Å
5E79Confident76.1Confident89 Ų8972.9 Ų72.942%0.41638%0.375SS..Hα-helixtrans-62.1-22.8174.6-63.4163.9-168.300111.5M1 K2 P3 I7 E9M1-E5 WeakPolarHBondContact CA-OE2 3.12Å; M1-E5 HydrophobicContact CG-CB 3.48Å; M1-E5 VanDerWaalsContact CG-CB 3.48Å; K2-E5 HydrophobicContact CB-CG 4.13Å; K2-E5 PolarHBondContact N-OE2 2.89Å; K2-E5 WeakPolarHBondContact O-CB 2.81Å; K2-E5 PolarHBondContact O-N 3.12Å; K2-E5 VanDerWaalsContact O-N 3.1Å; P3-E5 PolarHBondContact O-N 3.47Å; E5-I7 PolarHBondContact O-N 2.91Å; E5-E9 WeakPolarHBondContact O-CB 3.34Å; E5-E9 PolarHBondContact O-N 3.34Å
6R81.9Confident75.7Confident15 Ų1572.7 Ų72.76%0.05739%0.388CS..Hα-helixtrans-64.3-40.6-178177.460.4-154.9-1741.3113.1M1 K2 P3 D4 E9 D10 E770M1-R6 HydrophobicContact SD-CB 4.33Å; K2-R6 PolarHBondContact O-N 3.16Å; P3-R6 WeakPolarHBondContact O-CB 3.34Å; P3-R6 PolarHBondContact O-N 3.48Å; P3-R6 VanDerWaalsContact O-N 3.15Å; D4-R6 PolarHBondContact O-N 2.78Å; D4-R6 VanDerWaalsContact O-N 3.17Å; R6-E9 PolarHBondContact O-N 3.04Å; R6-D10 IonicContact CZ-OD1 3.98Å; R6-D10 IonicContact CZ-OD2 3.03Å; R6-D10 VanDerWaalsContact NE-CG 3.34Å; R6-D10 IonicContact NE-OD1 3.16Å; R6-D10 PolarHBondContact NE-OD1 2.77Å; R6-D10 VanDerWaalsContact NE-OD1 3.09Å; R6-D10 IonicContact NE-OD2 3.77Å; R6-D10 PolarHBondContact NE-OD2 3.01Å; R6-D10 VanDerWaalsContact NE-OD2 3.16Å; R6-D10 IonicContact NH2-OD1 2.77Å; R6-D10 PolarHBondContact NH2-OD1 3.12Å; R6-D10 IonicContact NH2-OD2 3.26Å; R6-D10 WeakPolarHBondContact O-CB 3.21Å; R6-D10 PolarHBondContact O-N 2.63Å; R6-E770 IonicContact CZ-OE2 3.16Å; R6-E770 IonicContact NH1-OE1 2.67Å; R6-E770 IonicContact NH1-OE2 3.52Å; R6-E770 PolarHBondContact NH1-OE2 3.28Å; R6-E770 IonicContact NH2-OE2 2.73Å; R6-E770 PolarHBondContact NH2-OE2 2.83Å
7I79.2Confident75.4Confident19 Ų1969.8 Ų69.810%0.09737%0.371CS..Hα-helixtrans-74.7-39.3-174-61.8173.5000110.1D4 E5 E9 D10 K11 L603 R604D4-I7 PolarHBondContact O-N 3.03Å; E5-I7 PolarHBondContact O-N 2.91Å; I7-E9 VanDerWaalsContact C-N 3.28Å; I7-D10 PolarHBondContact O-N 2.92Å; I7-K11 HydrophobicContact CG2-CD 4.39Å; I7-K11 VanDerWaalsContact O-CG 3.32Å; I7-K11 WeakPolarHBondContact O-CG 3.33Å; I7-K11 PolarHBondContact O-N 3.45Å; I7-L603 WeakPolarHBondContact CD1-O 3.28Å; I7-L603 VanDerWaalsContact CG1-O 3.28Å; I7-L603 WeakPolarHBondContact CG1-O 3.36Å; I7-R604 HydrophobicContact CD1-CB 4.02Å; I7-R604 HydrophobicContact CD1-CG 3.31Å
8D83Confident75.6Confident89 Ų8971 Ų7148%0.47638%0.378SS..Hα-helixtrans-64.8-39175-66.7-23.3000109.9K11 N12D8-K11 PolarHBondContact O-N 3.27Å; D8-N12 WeakPolarHBondContact O-CB 3.25Å; D8-N12 PolarHBondContact O-N 3.44Å; D8-N12 PolarHBondContact O-ND2 3.29Å; D8-N12 PolarHBondContact O-OD1 2.85Å
9E84Confident76.1Confident54 Ų5468.3 Ų68.325%0.25236%0.364SS..Hα-helixtrans-62.6-47.6171.4-16866.5-169.600112.6M1 E5 R6 I7 K11 N12 L13M1-E9 HydrophobicContact CE-CB 3.82Å; M1-E9 HydrophobicContact CE-CG 3.7Å; M1-E9 HydrophobicContact SD-CB 3.92Å; M1-E9 HydrophobicContact SD-CG 4.27Å; E5-E9 WeakPolarHBondContact O-CB 3.34Å; E5-E9 PolarHBondContact O-N 3.34Å; R6-E9 PolarHBondContact O-N 3.04Å; I7-E9 VanDerWaalsContact C-N 3.28Å; E9-K11 PolarHBondContact O-N 2.6Å; E9-N12 PolarHBondContact O-N 2.81Å; E9-N12 VanDerWaalsContact O-N 3.12Å; E9-L13 HydrophobicContact CG-CD1 4.12Å; E9-L13 HydrophobicContact CG-CG 4.37Å; E9-L13 WeakPolarHBondContact O-CB 3.28Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.31Å; E9-L13 PolarHBondContact O-N 3.03Å
10D85.8Confident76.7Confident4 Ų467.3 Ų67.32%0.02136%0.357CS..Hα-helixtrans-56.7-39.8177-81.5-32.2000111.7R6 I7 A14 G617 V618 N766R6-D10 IonicContact CZ-OD1 3.98Å; R6-D10 IonicContact CZ-OD2 3.03Å; R6-D10 VanDerWaalsContact NE-CG 3.34Å; R6-D10 IonicContact NE-OD1 3.16Å; R6-D10 PolarHBondContact NE-OD1 2.77Å; R6-D10 VanDerWaalsContact NE-OD1 3.09Å; R6-D10 IonicContact NE-OD2 3.77Å; R6-D10 PolarHBondContact NE-OD2 3.01Å; R6-D10 VanDerWaalsContact NE-OD2 3.16Å; R6-D10 IonicContact NH2-OD1 2.77Å; R6-D10 PolarHBondContact NH2-OD1 3.12Å; R6-D10 IonicContact NH2-OD2 3.26Å; R6-D10 WeakPolarHBondContact O-CB 3.21Å; R6-D10 PolarHBondContact O-N 2.63Å; I7-D10 PolarHBondContact O-N 2.92Å; D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.02Å; D10-G617 VanDerWaalsContact OD2-CA 3.26Å; D10-G617 WeakPolarHBondContact OD2-CA 3.43Å; D10-V618 HydrophobicContact CB-CG2 4.14Å; D10-V618 PolarHBondContact OD2-N 3.4Å; D10-N766 WeakPolarHBondContact CB-ND2 3.33Å; D10-N766 VanDerWaalsContact CG-ND2 3.3Å; D10-N766 WeakPolarHBondContact OD1-CB 3.39Å; D10-N766 PolarHBondContact OD1-ND2 2.83Å
11K81.7Confident77.2Confident92 Ų9264.9 Ų64.940%0.435%0.346SS..Hα-helixtrans-68.8-44.4174.8-72.6171.2-176.1167.70112I7 D8 E9 L13 A14 I15I7-K11 HydrophobicContact CG2-CD 4.39Å; I7-K11 VanDerWaalsContact O-CG 3.32Å; I7-K11 WeakPolarHBondContact O-CG 3.33Å; I7-K11 PolarHBondContact O-N 3.45Å; D8-K11 PolarHBondContact O-N 3.27Å; E9-K11 PolarHBondContact O-N 2.6Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 2.95Å; K11-A14 PolarHBondContact O-N 2.78Å; K11-I15 VanDerWaalsContact O-CG1 3.28Å; K11-I15 WeakPolarHBondContact O-CG1 3.43Å; K11-I15 PolarHBondContact O-N 2.84Å
12N84.2Confident78.6Confident91 Ų9159.6 Ų59.649%0.48732%0.32SS..Hα-helixtrans-62.1-42.8179.1-70.7-22.4000111D8 E9 I15 A16D8-N12 WeakPolarHBondContact O-CB 3.25Å; D8-N12 PolarHBondContact O-N 3.44Å; D8-N12 PolarHBondContact O-ND2 3.29Å; D8-N12 PolarHBondContact O-OD1 2.85Å; E9-N12 PolarHBondContact O-N 2.81Å; E9-N12 VanDerWaalsContact O-N 3.12Å; N12-I15 PolarHBondContact O-N 2.9Å; N12-A16 WeakPolarHBondContact O-CB 3.4Å; N12-A16 PolarHBondContact O-N 3.16Å
13L83.2Confident79.8Confident1 Ų153 Ų531%0.00529%0.291CS..Hα-helixtrans-57.3-57.8171.1-69.5168.9000109.2E9 K11 I15 A16 H17 N766 E770E9-L13 HydrophobicContact CG-CD1 4.12Å; E9-L13 HydrophobicContact CG-CG 4.37Å; E9-L13 WeakPolarHBondContact O-CB 3.28Å; E9-L13 VanDerWaalsContact O-CG 3.29Å; E9-L13 WeakPolarHBondContact O-CG 3.31Å; E9-L13 PolarHBondContact O-N 3.03Å; K11-L13 VanDerWaalsContact C-N 3.32Å; K11-L13 PolarHBondContact O-N 2.95Å; L13-I15 PolarHBondContact O-N 2.57Å; L13-I15 VanDerWaalsContact O-N 3.1Å; L13-A16 PolarHBondContact O-N 2.98Å; L13-H17 VanDerWaalsContact C-CD2 3.5Å; L13-H17 PolarHBondContact O-CD2 3.32Å; L13-H17 PolarHBondContact O-N 3.03Å; L13-N766 HydrophobicContact CD1-CB 4.44Å; L13-E770 HydrophobicContact CD1-CB 4.01Å
14A75.1Confident81.2Confident55 Ų5554 Ų5446%0.45529%0.29SS..Hα-helixtrans-52.7-39.7-178.900000113.8D10 K11D10-A14 WeakPolarHBondContact O-CB 3.27Å; D10-A14 PolarHBondContact O-N 3.02Å; K11-A14 PolarHBondContact O-N 2.78Å
15I72.5Confident82.3Confident135 Ų13553.8 Ų53.869%0.69228%0.284SS*.Hα-helixtrans-71.1-45.5176.7-66.9165.6000111.6K11 N12 L13 H17K11-I15 VanDerWaalsContact O-CG1 3.28Å; K11-I15 WeakPolarHBondContact O-CG1 3.43Å; K11-I15 PolarHBondContact O-N 2.84Å; N12-I15 PolarHBondContact O-N 2.9Å; L13-I15 PolarHBondContact O-N 2.57Å; L13-I15 VanDerWaalsContact O-N 3.1Å; I15-H17 PolarHBondContact O-N 3.42Å
16A69.8Low82.9Confident69 Ų6950.6 Ų50.657%0.5727%0.269SS*.Hα-helixtrans-64.7-26-172.700000113.8N12 L13N12-A16 WeakPolarHBondContact O-CB 3.4Å; N12-A16 PolarHBondContact O-N 3.16Å; L13-A16 PolarHBondContact O-N 2.98Å
17H70Confident83.2Confident24 Ų2451.2 Ų51.211%0.11127%0.273CS..THydrogen-bonded Turntrans-98.9-11.4-173.5-59.7-76.1000114.7L13 I15 V19 E769 R772 H773L13-H17 VanDerWaalsContact C-CD2 3.5Å; L13-H17 PolarHBondContact O-CD2 3.32Å; L13-H17 PolarHBondContact O-N 3.03Å; I15-H17 PolarHBondContact O-N 3.42Å; H17-V19 HydrophobicContact CB-CG2 3.5Å; H17-V19 PolarHBondContact O-N 2.95Å; H17-E769 IonicContact CE1-OE2 3.05Å; H17-E769 PolarHBondContact CE1-OE2 3.14Å; H17-E769 IonicContact CG-OE2 3.27Å; H17-E769 IonicContact ND1-OE2 2.66Å; H17-E769 PolarHBondContact ND1-OE2 3.42Å; H17-E769 WeakPolarHBondContact NE2-CB 3.45Å; H17-E769 IonicContact NE2-OE2 3.34Å; H17-R772 PolarHBondContact CE1-NH2 3.49Å; H17-R772 PolarHBondContact ND1-NH2 2.84Å; H17-H773 AromaticContact CE1-CD2 3.36Å; H17-H773 PolarHBondContact CE1-CD2 3.14Å; H17-H773 AromaticContact CE1-NE2 2.87Å; H17-H773 PolarHBondContact CE1-NE2 3.26Å; H17-H773 AromaticContact ND1-NE2 3.92Å; H17-H773 AromaticContact NE2-CD2 3.62Å; H17-H773 AromaticContact NE2-CE1 3.86Å; H17-H773 AromaticContact NE2-NE2 2.89Å; H17-H773 PolarHBondContact NE2-NE2 2.69Å
18D79.9Confident83.6Confident91 Ų9158.4 Ų58.449%0.48730%0.301SS..THydrogen-bonded Turntrans47.835.4-177.9-160.222.6000113Q20 S21 M22D18-Q20 PolarHBondContact O-N 3.03Å; D18-Q20 VanDerWaalsContact O-N 3.1Å; D18-S21 WeakPolarHBondContact O-CB 3.41Å; D18-S21 PolarHBondContact O-N 3.22Å; D18-S21 WeakPolarHBondContact OD1-CB 3.37Å; D18-S21 WeakPolarHBondContact OD2-CB 3.44Å; D18-S21 PolarHBondContact OD2-OG 3.12Å; D18-M22 PolarHBondContact O-N 2.96Å
19V83.9Confident83.8Confident19 Ų1960.5 Ų60.512%0.11531%0.311CS..Hα-helixtrans-58.6-30.8-172.7-1690000111.6H17 M22 Y23 L131 L784H17-V19 HydrophobicContact CB-CG2 3.5Å; H17-V19 PolarHBondContact O-N 2.95Å; V19-M22 HydrophobicContact CG1-CE 4.33Å; V19-M22 WeakPolarHBondContact O-CB 3.22Å; V19-M22 PolarHBondContact O-N 3.24Å; V19-Y23 PolarHBondContact O-N 2.87Å; V19-L131 HydrophobicContact CB-CD2 4.44Å; V19-L131 HydrophobicContact CG1-CD1 4.31Å; V19-L131 HydrophobicContact CG1-CD2 3.9Å; V19-L784 HydrophobicContact CG1-CD2 3.56Å
20Q88.7Confident84Confident48 Ų4860.5 Ų60.522%0.22431%0.313CS..Hα-helixtrans-65.9-45.9176.7179.555.144.800112.2D18 M22 Y23 E24 G132 W134D18-Q20 PolarHBondContact O-N 3.03Å; D18-Q20 VanDerWaalsContact O-N 3.1Å; Q20-M22 VanDerWaalsContact C-N 3.31Å; Q20-M22 PolarHBondContact O-N 3.26Å; Q20-Y23 WeakPolarHBondContact O-CB 3.24Å; Q20-Y23 PolarHBondContact O-N 3.32Å; Q20-E24 PolarHBondContact NE2-OE1 2.93Å; Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 2.83Å; Q20-G132 PolarHBondContact NE2-O 3.45Å; Q20-W134 VanDerWaalsContact CD-CD1 3.46Å; Q20-W134 VanDerWaalsContact OE1-CD1 3.26Å
21S87.7Confident84.1Confident18 Ų1864.5 Ų64.513%0.12634%0.339CS..Hα-helixtrans-64.9-35.5174.4161.50000111.6D18 E24 K25D18-S21 WeakPolarHBondContact O-CB 3.41Å; D18-S21 PolarHBondContact O-N 3.22Å; D18-S21 WeakPolarHBondContact OD1-CB 3.37Å; D18-S21 WeakPolarHBondContact OD2-CB 3.44Å; D18-S21 PolarHBondContact OD2-OG 3.12Å; S21-E24 PolarHBondContact O-N 3.27Å; S21-K25 WeakPolarHBondContact O-CB 3.42Å; S21-K25 WeakPolarHBondContact O-CD 3.27Å; S21-K25 VanDerWaalsContact O-CG 3.26Å; S21-K25 WeakPolarHBondContact O-CG 3.44Å; S21-K25 PolarHBondContact O-N 2.97Å; S21-K25 WeakPolarHBondContact OG-CE 3.4Å; S21-K25 PolarHBondContact OG-NZ 3.35Å
22M87.1Confident84.6Confident21 Ų2167.4 Ų67.410%0.10336%0.359CS..Hα-helixtrans-62.8-43.6171.1-174.1-13968.200111.6D18 V19 Q20 E24 K25 Q26 L784 E785D18-M22 PolarHBondContact O-N 2.96Å; V19-M22 HydrophobicContact CG1-CE 4.33Å; V19-M22 WeakPolarHBondContact O-CB 3.22Å; V19-M22 PolarHBondContact O-N 3.24Å; Q20-M22 VanDerWaalsContact C-N 3.31Å; Q20-M22 PolarHBondContact O-N 3.26Å; M22-E24 VanDerWaalsContact C-N 3.31Å; M22-E24 PolarHBondContact O-N 3.31Å; M22-K25 PolarHBondContact O-N 3.44Å; M22-Q26 PolarHBondContact O-N 3.2Å; M22-L784 HydrophobicContact CE-CB 4.45Å; M22-L784 HydrophobicContact CE-CD2 3.22Å; M22-L784 HydrophobicContact CE-CG 3.63Å; M22-L784 HydrophobicContact SD-CB 4.28Å; M22-L784 HydrophobicContact SD-CD2 4.07Å; M22-L784 HydrophobicContact SD-CG 4.02Å; M22-E785 HydrophobicContact CG-CG 3.92Å; M22-E785 WeakPolarHBondContact CG-OE1 3.24Å; M22-E785 HydrophobicContact SD-CG 3.37Å; M22-E785 WeakPolarHBondContact SD-CG 3.36Å
23Y91.3Very high85Confident6 Ų667.1 Ų67.12%0.02435%0.354CS..Hα-helixtrans-60-38.6173.9169.9-85.9000112.5V19 Q20 Q26 V64 I68 F76 L131 G132 D133V19-Y23 PolarHBondContact O-N 2.87Å; Q20-Y23 WeakPolarHBondContact O-CB 3.24Å; Q20-Y23 PolarHBondContact O-N 3.32Å; Y23-Q26 VanDerWaalsContact O-CG 3.23Å; Y23-Q26 WeakPolarHBondContact O-CG 3.49Å; Y23-Q26 PolarHBondContact O-NE2 3.37Å; Y23-V64 HydrophobicContact CD2-CG1 4.34Å; Y23-V64 HydrophobicContact CE2-CG1 3.95Å; Y23-I68 HydrophobicContact CD2-CD1 3.86Å; Y23-I68 HydrophobicContact CE2-CD1 4.41Å; Y23-F76 WeakPolarHBondContact OH-CA 3.46Å; Y23-F76 WeakPolarHBondContact OH-CB 3.4Å; Y23-F76 PolarHBondContact OH-N 3.17Å; Y23-F76 PolarHBondContact OH-O 3.05Å; Y23-L131 HydrophobicContact CD2-CB 3.85Å; Y23-L131 HydrophobicContact CD2-CD1 4.26Å; Y23-L131 HydrophobicContact CE2-CB 4.38Å; Y23-L131 HydrophobicContact CG-CB 4.11Å; Y23-G132 WeakPolarHBondContact CE1-O 3.23Å; Y23-D133 HydrophobicContact CE1-CB 4.36Å; Y23-D133 VanDerWaalsContact CE1-N 3.33Å
24E90.4Very high85.6Confident77 Ų7770.7 Ų70.736%0.3638%0.376SS..Hα-helixtrans-69.7-38.4177.7-71.7165.6-164.100111.6Q20 S21 M22Q20-E24 PolarHBondContact NE2-OE1 2.93Å; Q20-E24 WeakPolarHBondContact O-CG 3.47Å; Q20-E24 PolarHBondContact O-N 2.83Å; S21-E24 PolarHBondContact O-N 3.27Å; M22-E24 VanDerWaalsContact C-N 3.31Å; M22-E24 PolarHBondContact O-N 3.31Å
25K89.9Confident86.5Confident112 Ų11271.4 Ų71.449%0.48737%0.372SS..Hα-helixtrans-73-36.6179.8-71.1164.9-177.4157.10113.2S21 M22 L27 Y28 L29S21-K25 WeakPolarHBondContact O-CB 3.42Å; S21-K25 WeakPolarHBondContact O-CD 3.27Å; S21-K25 VanDerWaalsContact O-CG 3.26Å; S21-K25 WeakPolarHBondContact O-CG 3.44Å; S21-K25 PolarHBondContact O-N 2.97Å; S21-K25 WeakPolarHBondContact OG-CE 3.4Å; S21-K25 PolarHBondContact OG-NZ 3.35Å; M22-K25 PolarHBondContact O-N 3.44Å; K25-L27 PolarHBondContact O-N 3.34Å; K25-Y28 PolarHBondContact O-N 3.25Å; K25-L29 HydrophobicContact CB-CD1 3.9Å; K25-L29 HydrophobicContact CB-CG 4.15Å; K25-L29 WeakPolarHBondContact O-CG 3.44Å; K25-L29 PolarHBondContact O-N 3.33Å; K25-L29 VanDerWaalsContact O-N 3.08Å
26Q91.6Very high87.5Confident23 Ų2365.3 Ų65.311%0.10734%0.341CS..Hα-helixtrans-58.5-26.3-173.562.26740.400113.7M22 Y23 Y28 I68 V74M22-Q26 PolarHBondContact O-N 3.2Å; Y23-Q26 VanDerWaalsContact O-CG 3.23Å; Y23-Q26 WeakPolarHBondContact O-CG 3.49Å; Y23-Q26 PolarHBondContact O-NE2 3.37Å; Q26-Y28 PolarHBondContact O-N 3.34Å; Q26-I68 HydrophobicContact CG-CD1 4.45Å; Q26-V74 PolarHBondContact NE2-O 3.11Å
27L88Confident88.8Confident27 Ų2762.4 Ų62.414%0.14132%0.316CS..Hα-helixtrans-64.6-25.7179.1-172.360.4000112.8K25 L35 R73 H75K25-L27 PolarHBondContact O-N 3.34Å; L27-L35 HydrophobicContact CD1-CD1 3.81Å; L27-R73 HydrophobicContact CD1-CB 4.39Å; L27-R73 WeakPolarHBondContact O-CD 3.29Å; L27-H75 HydrophobicContact CD1-CB 4.28Å
28Y89Confident90Very high170 Ų17061.2 Ų61.267%0.66731%0.311SS*.Hα-helixtrans-118.7-16.6-172.6-53-71.9000114.4K25 Q26 D30K25-Y28 PolarHBondContact O-N 3.25Å; Q26-Y28 PolarHBondContact O-N 3.34Å; Y28-D30 PolarHBondContact O-N 3.06Å
29L86.4Confident90.8Very high133 Ų13357 Ų5770%0.69629%0.288SS*.Hα-helixtrans-64.8-35.4-175.4-79.6172.3000113.9K25K25-L29 HydrophobicContact CB-CD1 3.9Å; K25-L29 HydrophobicContact CB-CG 4.15Å; K25-L29 WeakPolarHBondContact O-CG 3.44Å; K25-L29 PolarHBondContact O-N 3.33Å; K25-L29 VanDerWaalsContact O-N 3.08Å
30D87.7Confident91.3Very high55 Ų5556 Ų5629%0.29428%0.282SS..  trans-142.984.9-174.9-176.1-6.5000110.4Y28 D32 K33 R73Y28-D30 PolarHBondContact O-N 3.06Å; D30-D32 PolarHBondContact O-N 3.07Å; D30-D32 VanDerWaalsContact O-N 3.16Å; D30-D32 PolarHBondContact OD1-N 3.44Å; D30-K33 HydrophobicContact CB-CD 4.01Å; D30-K33 HydrophobicContact CB-CG 4.33Å; D30-K33 PolarHBondContact O-N 3Å; D30-K33 WeakPolarHBondContact OD2-CD 3.47Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å; D30-K33 WeakPolarHBondContact OD2-CG 3.39Å; D30-K33 IonicContact OD2-NZ 2.9Å; D30-K33 PolarHBondContact OD2-NZ 3.18Å; D30-R73 WeakPolarHBondContact O-CD 3.33Å; D30-R73 PolarHBondContact O-NE 2.86Å
31P88.5Confident91.4Very high88 Ų8853.9 Ų53.957%0.57127%0.273SS*.THydrogen-bonded Turntrans-60.2-21.9-176.4-25.135.5000114.7K33 R73P31-K33 VanDerWaalsContact C-N 3.27Å; P31-K33 PolarHBondContact O-N 3.18Å; P31-R73 PolarHBondContact O-NH2 3.14Å; P31-R73 VanDerWaalsContact O-NH2 3.09Å
32D92.6Very high91.6Very high153 Ų15353.8 Ų53.882%0.81827%0.272SS*.THydrogen-bonded Turntrans-74.4-19.2-177.4-65.6-28.7000112.4D30D30-D32 PolarHBondContact O-N 3.07Å; D30-D32 VanDerWaalsContact O-N 3.16Å; D30-D32 PolarHBondContact OD1-N 3.44Å
33K92.8Very high91.9Very high85 Ų8553.6 Ų53.637%0.3727%0.272SS..SBendtrans-66.4143.5174.3-79.1175.4179.7160.10112.2D30 P31 L35 G71 R73D30-K33 HydrophobicContact CB-CD 4.01Å; D30-K33 HydrophobicContact CB-CG 4.33Å; D30-K33 PolarHBondContact O-N 3Å; D30-K33 WeakPolarHBondContact OD2-CD 3.47Å; D30-K33 WeakPolarHBondContact OD2-CE 3.47Å; D30-K33 WeakPolarHBondContact OD2-CG 3.39Å; D30-K33 IonicContact OD2-NZ 2.9Å; D30-K33 PolarHBondContact OD2-NZ 3.18Å; P31-K33 VanDerWaalsContact C-N 3.27Å; P31-K33 PolarHBondContact O-N 3.18Å; K33-L35 PolarHBondContact O-N 2.9Å; K33-G71 WeakPolarHBondContact CB-O 3.49Å; K33-G71 WeakPolarHBondContact CD-O 3.42Å; K33-G71 VanDerWaalsContact CG-O 3.25Å; K33-G71 WeakPolarHBondContact CG-O 3.24Å; K33-R73 HydrophobicContact CB-CG 3.84Å; K33-R73 PolarHBondContact O-NE 3.39Å; K33-R73 PolarHBondContact O-NH2 2.72Å; K33-R73 VanDerWaalsContact O-NH2 3.09Å
34P94Very high91.9Very high75 Ų7555.8 Ų55.849%0.48728%0.281SS..PPolyproline II helixtrans-61.3137.4176.726.2-34.2000111H72 R73P34-H72 CarbonylContact O-C 3.53Å; P34-H72 WeakPolarHBondContact O-CA 3.22Å; P34-R73 PolarHBondContact O-N 2.86Å
35L94.1Very high92Very high70 Ų7052.1 Ų52.137%0.36626%0.264SS..EExtended strand (participates in β ladder)trans-84.4130.4175.5-177.167000110L27 K33 V37 R73 H75L27-L35 HydrophobicContact CD1-CD1 3.81Å; K33-L35 PolarHBondContact O-N 2.9Å; L35-V37 HydrophobicContact CD2-CG2 3.79Å; L35-V37 HydrophobicContact CG-CG2 3.82Å; L35-R73 CarbonylContact C-O 3.55Å; L35-R73 WeakPolarHBondContact CA-O 3.37Å; L35-R73 HydrophobicContact CD1-CB 4.12Å; L35-H75 HydrophobicContact CD1-CB 4.1Å
36F95.2Very high91.9Very high7 Ų748.7 Ų48.73%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-113.4120170-178.9-90.3000109.3L38 I63 K67 H72 R73 V74 H75 D543 L544F36-L38 HydrophobicContact CE1-CB 4.4Å; F36-I63 HydrophobicContact CE1-CG2 4.23Å; F36-I63 HydrophobicContact CZ-CG2 3.99Å; F36-K67 HydrophobicContact CD1-CB 4.24Å; F36-K67 HydrophobicContact CD1-CG 4Å; F36-K67 HydrophobicContact CD2-CD 3.99Å; F36-K67 HydrophobicContact CD2-CG 3.96Å; F36-K67 HydrophobicContact CE1-CG 4.09Å; F36-K67 HydrophobicContact CE2-CD 4.17Å; F36-K67 HydrophobicContact CE2-CG 4.05Å; F36-K67 HydrophobicContact CG-CB 4.24Å; F36-K67 HydrophobicContact CG-CD 4.35Å; F36-K67 HydrophobicContact CG-CG 3.93Å; F36-K67 HydrophobicContact CZ-CG 4.11Å; F36-H72 HydrophobicContact CB-CB 4.07Å; F36-R73 PolarHBondContact N-O 2.82Å; F36-V74 HydrophobicContact CB-CG2 4.32Å; F36-V74 HydrophobicContact CD1-CG1 4.21Å; F36-V74 HydrophobicContact CD1-CG2 4.38Å; F36-V74 WeakPolarHBondContact O-CA 3.44Å; F36-H75 PolarHBondContact O-N 3.06Å; F36-D543 WeakPolarHBondContact CA-OD2 3.26Å; F36-D543 HydrophobicContact CD2-CB 3.56Å; F36-D543 HydrophobicContact CE2-CB 3.47Å; F36-D543 VanDerWaalsContact CE2-CB 3.47Å; F36-D543 HydrophobicContact CG-CB 4.27Å; F36-D543 HydrophobicContact CZ-CB 4.13Å; F36-L544 HydrophobicContact CE1-CB 4.37Å; F36-L544 HydrophobicContact CE2-CB 4.47Å; F36-L544 HydrophobicContact CZ-CB 3.7Å; F36-L544 HydrophobicContact CZ-CD2 4.09Å
37V95.5Very high91.7Very high8 Ų848.3 Ų48.35%0.04825%0.253CS..EExtended strand (participates in β ladder)trans-109121.1-176.8-175.20000110.5L35 H75 I534 L535 A542 D543 L544L35-V37 HydrophobicContact CD2-CG2 3.79Å; L35-V37 HydrophobicContact CG-CG2 3.82Å; V37-H75 HydrophobicContact CG2-CB 4.42Å; V37-I534 HydrophobicContact CG1-CG2 3.6Å; V37-L535 HydrophobicContact CG1-CD2 3.83Å; V37-A542 HydrophobicContact CG1-CB 4.29Å; V37-D543 PolarHBondContact N-OD2 3.47Å; V37-D543 PolarHBondContact O-N 2.83Å; V37-L544 PolarHBondContact O-N 3.19Å
38L96.1Very high91.8Very high0 Ų053 Ų530%028%0.278CS..EExtended strand (participates in β ladder)trans-100.3118.2173.1-168150.5000109.9F36 D40 K60 V64 H75 F76 L544F36-L38 HydrophobicContact CE1-CB 4.4Å; L38-D40 PolarHBondContact O-N 2.83Å; L38-K60 HydrophobicContact CD1-CB 3.86Å; L38-K60 HydrophobicContact CD1-CG 4.07Å; L38-K60 HydrophobicContact CD2-CB 4.38Å; L38-K60 HydrophobicContact CD2-CD 4.02Å; L38-K60 HydrophobicContact CD2-CG 4.09Å; L38-V64 HydrophobicContact CD1-CG2 3.91Å; L38-H75 PolarHBondContact N-O 2.55Å; L38-F76 HydrophobicContact CB-CB 4.23Å; L38-F76 HydrophobicContact CB-CD2 4.27Å; L38-F76 HydrophobicContact CB-CG 4.49Å; L38-F76 HydrophobicContact CD2-CD2 3.48Å; L38-F76 VanDerWaalsContact CD2-CD2 3.48Å; L38-F76 HydrophobicContact CD2-CE2 3.6Å; L38-F76 HydrophobicContact CD2-CG 4.3Å; L38-F76 HydrophobicContact CD2-CZ 4.49Å; L38-F76 HydrophobicContact CG-CD2 4.36Å; L38-L544 HydrophobicContact CD1-CD2 4.27Å
39L95.7Very high92Very high1 Ų146 Ų461%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-82.2108.3173176.358.8000109.6A530 W531 I534 A542 L544 V545 W555 L559 Y572L39-A530 HydrophobicContact CD1-CB 4.34Å; L39-W531 HydrophobicContact CD1-CB 4.35Å; L39-W531 HydrophobicContact CD2-CB 4.2Å; L39-I534 HydrophobicContact CD1-CD1 3.62Å; L39-I534 HydrophobicContact CD1-CG1 4.35Å; L39-A542 HydrophobicContact CB-CB 3.79Å; L39-L544 PolarHBondContact N-O 3.05Å; L39-V545 HydrophobicContact CB-CB 4.36Å; L39-V545 HydrophobicContact CG-CG2 4.48Å; L39-W555 HydrophobicContact CG-CH2 4.21Å; L39-L559 HydrophobicContact CD2-CD1 3.88Å; L39-L559 HydrophobicContact CD2-CD2 4.06Å; L39-Y572 HydrophobicContact CD2-CD1 4.46Å
40D94.7Very high92.3Very high0 Ų044.5 Ų44.50%024%0.242CC..PPolyproline II helixtrans-79.6121179.4-165.131.5000111.1L38 K57 K60 F76 P78 G79 Y138L38-D40 PolarHBondContact O-N 2.83Å; D40-K57 IonicContact OD1-NZ 3.94Å; D40-K57 PolarHBondContact OD1-NZ 2.99Å; D40-K57 IonicContact OD2-NZ 3.83Å; D40-K57 PolarHBondContact OD2-NZ 3.47Å; D40-K60 IonicContact OD1-NZ 3.62Å; D40-K60 PolarHBondContact OD1-NZ 3.42Å; D40-F76 HydrophobicContact CB-CD2 4.23Å; D40-F76 HydrophobicContact CB-CE2 3.66Å; D40-P78 VanDerWaalsContact OD2-CA 3.29Å; D40-P78 WeakPolarHBondContact OD2-CA 3.29Å; D40-G79 PolarHBondContact OD2-N 3.09Å; D40-Y138 PolarHBondContact O-OH 2.9Å
41G91Very high92.7Very high3 Ų341.9 Ų41.93%0.03123%0.229CC..PPolyproline II helixtrans-67.5123.6162.500000111.3P43 E547G41-P43 VanDerWaalsContact O-CD 3.27Å; G41-P43 WeakPolarHBondContact O-CD 3.38Å; G41-E547 WeakPolarHBondContact CA-OE1 3.3Å; G41-E547 PolarHBondContact N-OE1 3.06Å
42P92.6Very high92.9Very high16 Ų1638.7 Ų38.710%0.10421%0.211CC..PPolyproline II helixtrans-77.8118.8-174.230.3-31.5000109.6G79 W80 D81 Y138P42-G79 VanDerWaalsContact CB-C 3.49Å; P42-W80 VanDerWaalsContact CB-C 3.5Å; P42-D81 HydrophobicContact CB-CB 4.25Å; P42-D81 HydrophobicContact CG-CB 4.16Å; P42-Y138 HydrophobicContact CB-CE2 4.12Å; P42-Y138 WeakPolarHBondContact CB-OH 3.45Å; P42-Y138 VanDerWaalsContact CD-OH 3.3Å; P42-Y138 WeakPolarHBondContact CD-OH 3.37Å; P42-Y138 HydrophobicContact CG-CE2 4.31Å; P42-Y138 WeakPolarHBondContact CG-OH 3.24Å
43P93Very high93.1Very high16 Ų1632.6 Ų32.610%0.10418%0.178CC..PPolyproline II helixtrans-61.2152.8168.726.4-37.4000111G41 A45 G79 D81 F125G41-P43 VanDerWaalsContact O-CD 3.27Å; G41-P43 WeakPolarHBondContact O-CD 3.38Å; P43-A45 PolarHBondContact O-N 3.1Å; P43-G79 VanDerWaalsContact CD-O 3.29Å; P43-G79 WeakPolarHBondContact CD-O 3.08Å; P43-D81 PolarHBondContact O-N 2.84Å; P43-F125 HydrophobicContact CG-CE2 4.35Å; P43-F125 HydrophobicContact CG-CZ 4.41Å
44Y91.7Very high93.2Very high53 Ų5328.6 Ų28.621%0.20816%0.16CC..BIsolated β-bridgetrans-61.1129.5169.3-74-61.8000110.7N46 D81 Q121 V523Y44-N46 WeakPolarHBondContact CB-ND2 3.39Å; Y44-N46 PolarHBondContact O-N 3.08Å; Y44-D81 WeakPolarHBondContact CA-O 3.4Å; Y44-D81 HydrophobicContact CD1-CB 4.04Å; Y44-D81 HydrophobicContact CE1-CB 4.3Å; Y44-D81 WeakPolarHBondContact CE1-OD2 3.31Å; Y44-Q121 PolarHBondContact O-NE2 2.71Å; Y44-V523 HydrophobicContact CE1-CG2 4.07Å
45A92.7Very high93.4Very high0 Ų025 Ų250%014%0.137CC..SBendtrans-75.150.2171.100000111.7P43 D81 A114 A117 I118P43-A45 PolarHBondContact O-N 3.1Å; A45-D81 PolarHBondContact N-O 2.65Å; A45-A114 HydrophobicContact CB-CB 4.04Å; A45-A117 HydrophobicContact CB-CB 4.37Å; A45-A117 WeakPolarHBondContact O-CB 3.27Å; A45-I118 HydrophobicContact CB-CD1 4.29Å; A45-I118 HydrophobicContact CB-CG1 3.93Å
46N87.4Confident93.5Very high39 Ų3922.4 Ų22.421%0.20912%0.124CC..SBendtrans-108.4-3.1-167.576.717.4000115.1Y44 P86 V87 K90 F113Y44-N46 WeakPolarHBondContact CB-ND2 3.39Å; Y44-N46 PolarHBondContact O-N 3.08Å; N46-P86 HydrophobicContact CB-CB 4.25Å; N46-V87 HydrophobicContact CB-CG2 4.08Å; N46-K90 VanDerWaalsContact O-CD 3.29Å; N46-K90 WeakPolarHBondContact O-CD 3.44Å; N46-K90 PolarHBondContact O-NZ 2.91Å; N46-F113 WeakPolarHBondContact O-CE1 3.31Å; N46-F113 WeakPolarHBondContact O-CZ 3.31Å
47G86.9Confident93.6Very high16 Ų1622.2 Ų22.217%0.16512%0.123CC..SBendtrans158-162.4-177.900000113.5Q121G47-Q121 PolarHBondContact O-NE2 2.64Å
48D90.1Very high93.7Very high124 Ų12421.9 Ų21.966%0.66312%0.121SC*.  trans-67.5152.3-177-56-46.5000112.8
49V94Very high93.8Very high25 Ų2522 Ų2215%0.15212%0.122CC..  trans-66.3154.8175.5-61.70000111.8H53 Q121 C124 F125 W128V49-H53 HydrophobicContact CB-CB 4.46Å; V49-Q121 HydrophobicContact CG1-CB 3.86Å; V49-Q121 HydrophobicContact CG1-CG 3.67Å; V49-C124 HydrophobicContact CG1-CB 4.11Å; V49-C124 HydrophobicContact CG2-CB 3.66Å; V49-F125 HydrophobicContact CB-CE1 4.38Å; V49-F125 HydrophobicContact CG1-CD1 4.23Å; V49-F125 HydrophobicContact CG1-CE1 3.48Å; V49-F125 VanDerWaalsContact CG1-CE1 3.48Å; V49-F125 HydrophobicContact CG1-CZ 3.92Å; V49-W128 HydrophobicContact CB-CH2 3.71Å; V49-W128 HydrophobicContact CB-CZ2 4.09Å; V49-W128 HydrophobicContact CG1-CH2 4.19Å; V49-W128 HydrophobicContact CG2-CH2 3.7Å; V49-W128 HydrophobicContact CG2-CZ2 3.52Å
50H92.9Very high93.9Very high100 Ų10022 Ų2246%0.46312%0.121SC..  trans-135.8171.1176.460.759.4000110.5G52 H53 A54H50-G52 WeakPolarHBondContact ND1-CA 3.5Å; H50-G52 PolarHBondContact ND1-N 3.36Å; H50-G52 VanDerWaalsContact ND1-N 3.12Å; H50-G52 PolarHBondContact O-N 2.84Å; H50-G52 VanDerWaalsContact O-N 3.14Å; H50-H53 AromaticContact CD2-CE1 3.33Å; H50-H53 PolarHBondContact CD2-CE1 3.47Å; H50-H53 AromaticContact CD2-ND1 3.28Å; H50-H53 PolarHBondContact CD2-ND1 2.93Å; H50-H53 VanDerWaalsContact CD2-ND1 3.28Å; H50-H53 AromaticContact CE1-CE1 3.52Å; H50-H53 AromaticContact CE1-CG 3.98Å; H50-H53 AromaticContact CE1-ND1 3.2Å; H50-H53 PolarHBondContact CE1-ND1 2.86Å; H50-H53 AromaticContact CG-CE1 3.85Å; H50-H53 AromaticContact CG-ND1 3.29Å; H50-H53 VanDerWaalsContact CG-ND1 3.29Å; H50-H53 PolarHBondContact N-ND1 3.13Å; H50-H53 VanDerWaalsContact N-ND1 3.19Å; H50-H53 AromaticContact ND1-CE1 3.94Å; H50-H53 PolarHBondContact ND1-N 2.86Å; H50-H53 AromaticContact ND1-ND1 3.23Å; H50-H53 PolarHBondContact ND1-ND1 3.37Å; H50-H53 AromaticContact NE2-CE1 3.11Å; H50-H53 PolarHBondContact NE2-CE1 3.17Å; H50-H53 AromaticContact NE2-ND1 3.23Å; H50-H53 PolarHBondContact NE2-ND1 3.4Å; H50-H53 WeakPolarHBondContact O-CA 3.29Å; H50-H53 VanDerWaalsContact O-CB 3.27Å; H50-H53 WeakPolarHBondContact O-CB 3.5Å; H50-H53 PolarHBondContact O-N 3.06Å; H50-A54 PolarHBondContact O-N 2.85Å
51I94.2Very high94Very high1 Ų122 Ų221%0.00512%0.121CC..Hα-helixtrans-58.4-32.2-174.4-163.772.7000114.1H53 A54 V55 V581 M589 P599 F602 L621 W624I51-H53 VanDerWaalsContact C-N 3.31Å; I51-H53 PolarHBondContact O-N 2.85Å; I51-A54 HydrophobicContact CD1-CB 4.39Å; I51-A54 WeakPolarHBondContact O-CB 3.36Å; I51-A54 PolarHBondContact O-N 3.38Å; I51-A54 VanDerWaalsContact O-N 3.07Å; I51-V55 PolarHBondContact O-N 2.92Å; I51-V55 VanDerWaalsContact O-N 3.1Å; I51-V581 HydrophobicContact CG2-CB 4.1Å; I51-V581 HydrophobicContact CG2-CG1 3.72Å; I51-V581 HydrophobicContact CG2-CG2 4.26Å; I51-M589 HydrophobicContact CG2-CE 3.43Å; I51-M589 VanDerWaalsContact CG2-CE 3.43Å; I51-M589 HydrophobicContact CG2-SD 4.11Å; I51-P599 HydrophobicContact CD1-CB 4.5Å; I51-P599 HydrophobicContact CD1-CG 4.42Å; I51-F602 HydrophobicContact CD1-CD2 4.16Å; I51-F602 HydrophobicContact CD1-CE2 3.82Å; I51-L621 HydrophobicContact CD1-CD1 3.62Å; I51-W624 HydrophobicContact CD1-CE3 4.13Å; I51-W624 HydrophobicContact CD1-CH2 4.04Å; I51-W624 HydrophobicContact CD1-CZ3 3.61Å; I51-W624 HydrophobicContact CG1-CE3 4.42Å; I51-W624 HydrophobicContact CG1-CH2 3.42Å; I51-W624 VanDerWaalsContact CG1-CH2 3.42Å; I51-W624 HydrophobicContact CG1-CZ2 4.3Å; I51-W624 HydrophobicContact CG1-CZ3 3.49Å; I51-W624 VanDerWaalsContact CG1-CZ3 3.49Å
52G93.8Very high94.4Very high20 Ų2021.9 Ų21.921%0.20612%0.12CC..Hα-helixtrans-59.5-35.317000000114.5H50 A54 V55 N56H50-G52 WeakPolarHBondContact ND1-CA 3.5Å; H50-G52 PolarHBondContact ND1-N 3.36Å; H50-G52 VanDerWaalsContact ND1-N 3.12Å; H50-G52 PolarHBondContact O-N 2.84Å; H50-G52 VanDerWaalsContact O-N 3.14Å; G52-A54 VanDerWaalsContact C-N 3.32Å; G52-V55 PolarHBondContact O-N 3.4Å; G52-N56 PolarHBondContact O-N 2.9Å
53H95.6Very high94.6Very high26 Ų2621.3 Ų21.312%0.1212%0.116CC..Hα-helixtrans-67.1-36.1173.1-65.898.7000111.3V49 H50 I51 N56 K57 F125 W128V49-H53 HydrophobicContact CB-CB 4.46Å; H50-H53 AromaticContact CD2-CE1 3.33Å; H50-H53 PolarHBondContact CD2-CE1 3.47Å; H50-H53 AromaticContact CD2-ND1 3.28Å; H50-H53 PolarHBondContact CD2-ND1 2.93Å; H50-H53 VanDerWaalsContact CD2-ND1 3.28Å; H50-H53 AromaticContact CE1-CE1 3.52Å; H50-H53 AromaticContact CE1-CG 3.98Å; H50-H53 AromaticContact CE1-ND1 3.2Å; H50-H53 PolarHBondContact CE1-ND1 2.86Å; H50-H53 AromaticContact CG-CE1 3.85Å; H50-H53 AromaticContact CG-ND1 3.29Å; H50-H53 VanDerWaalsContact CG-ND1 3.29Å; H50-H53 PolarHBondContact N-ND1 3.13Å; H50-H53 VanDerWaalsContact N-ND1 3.19Å; H50-H53 AromaticContact ND1-CE1 3.94Å; H50-H53 PolarHBondContact ND1-N 2.86Å; H50-H53 AromaticContact ND1-ND1 3.23Å; H50-H53 PolarHBondContact ND1-ND1 3.37Å; H50-H53 AromaticContact NE2-CE1 3.11Å; H50-H53 PolarHBondContact NE2-CE1 3.17Å; H50-H53 AromaticContact NE2-ND1 3.23Å; H50-H53 PolarHBondContact NE2-ND1 3.4Å; H50-H53 WeakPolarHBondContact O-CA 3.29Å; H50-H53 VanDerWaalsContact O-CB 3.27Å; H50-H53 WeakPolarHBondContact O-CB 3.5Å; H50-H53 PolarHBondContact O-N 3.06Å; I51-H53 VanDerWaalsContact C-N 3.31Å; I51-H53 PolarHBondContact O-N 2.85Å; H53-N56 PolarHBondContact O-N 2.96Å; H53-K57 PolarHBondContact O-N 3.38Å; H53-F125 HydrophobicContact CB-CE1 4.1Å; H53-W128 HydrophobicContact CB-CH2 4.24Å; H53-W128 HydrophobicContact CB-CZ3 4.3Å
54A96.7Very high94.8Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-63.5-45177.200000111.3H50 I51 G52 N56 I58 W128 P599 L621H50-A54 PolarHBondContact O-N 2.85Å; I51-A54 HydrophobicContact CD1-CB 4.39Å; I51-A54 WeakPolarHBondContact O-CB 3.36Å; I51-A54 PolarHBondContact O-N 3.38Å; I51-A54 VanDerWaalsContact O-N 3.07Å; G52-A54 VanDerWaalsContact C-N 3.32Å; A54-N56 PolarHBondContact O-N 2.91Å; A54-I58 HydrophobicContact CB-CD1 4.19Å; A54-I58 WeakPolarHBondContact O-CB 3.49Å; A54-I58 WeakPolarHBondContact O-CD1 2.88Å; A54-I58 VanDerWaalsContact O-CG1 3.23Å; A54-I58 WeakPolarHBondContact O-CG1 3.13Å; A54-I58 PolarHBondContact O-N 3.22Å; A54-W128 VanDerWaalsContact CA-CZ3 3.44Å; A54-W128 HydrophobicContact CB-CE3 4.14Å; A54-W128 HydrophobicContact CB-CH2 3.99Å; A54-W128 HydrophobicContact CB-CZ2 4.47Å; A54-W128 HydrophobicContact CB-CZ3 3.82Å; A54-P599 HydrophobicContact CB-CG 4.49Å; A54-L621 HydrophobicContact CB-CD1 4.07Å; A54-L621 HydrophobicContact CB-CD2 4.02Å; A54-L621 HydrophobicContact CB-CG 4.34Å
55V96.8Very high95.1Very high1 Ų118.7 Ų18.71%0.00610%0.104CC..Hα-helixtrans-54.7-54.5172.91750000110.5I51 G52 K57 L59 V581 W624 V625 I635I51-V55 PolarHBondContact O-N 2.92Å; I51-V55 VanDerWaalsContact O-N 3.1Å; G52-V55 PolarHBondContact O-N 3.4Å; V55-K57 PolarHBondContact O-N 3.02Å; V55-L59 HydrophobicContact CG1-CD1 3.73Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 WeakPolarHBondContact O-CG 3.28Å; V55-L59 PolarHBondContact O-N 3.5Å; V55-L59 VanDerWaalsContact O-N 3.09Å; V55-V581 HydrophobicContact CG2-CG2 3.79Å; V55-W624 HydrophobicContact CG2-CH2 3.57Å; V55-W624 HydrophobicContact CG2-CZ3 3.56Å; V55-V625 HydrophobicContact CG2-CG2 4.3Å; V55-I635 HydrophobicContact CG1-CD1 3.75Å; V55-I635 HydrophobicContact CG2-CD1 4.24Å
56N96.2Very high95.3Very high15 Ų1518.8 Ų18.88%0.0810%0.104CC..Hα-helixtrans-58.9-51.6-176.3-176.8-92.6000112.7G52 H53 A54 K60 V546 E547 H578G52-N56 PolarHBondContact O-N 2.9Å; H53-N56 PolarHBondContact O-N 2.96Å; A54-N56 PolarHBondContact O-N 2.91Å; N56-K60 WeakPolarHBondContact O-CG 3.35Å; N56-K60 PolarHBondContact O-N 3.05Å; N56-K60 WeakPolarHBondContact OD1-CE 3.2Å; N56-K60 PolarHBondContact OD1-NZ 2.72Å; N56-V546 PolarHBondContact ND2-O 3.01Å; N56-E547 PolarHBondContact ND2-OE2 3.35Å; N56-H578 PolarHBondContact ND2-NE2 2.88Å; N56-H578 VanDerWaalsContact ND2-NE2 3.16Å
57K97.5Very high95.8Very high3 Ų317.5 Ų17.51%0.01310%0.097CC..Hα-helixtrans-73.7-36.6-175.7-65.8-56-166.7-168.40113.1D40 H53 V55 K60 D61 F125 V130D40-K57 IonicContact OD1-NZ 3.94Å; D40-K57 PolarHBondContact OD1-NZ 2.99Å; D40-K57 IonicContact OD2-NZ 3.83Å; D40-K57 PolarHBondContact OD2-NZ 3.47Å; H53-K57 PolarHBondContact O-N 3.38Å; V55-K57 PolarHBondContact O-N 3.02Å; K57-K60 HydrophobicContact CD-CD 4.49Å; K57-K60 PolarHBondContact O-N 2.99Å; K57-D61 WeakPolarHBondContact O-CB 3.35Å; K57-D61 PolarHBondContact O-N 2.89Å; K57-F125 HydrophobicContact CG-CD1 4.05Å; K57-F125 HydrophobicContact CG-CD2 4.37Å; K57-F125 HydrophobicContact CG-CE1 3.98Å; K57-F125 HydrophobicContact CG-CE2 4.31Å; K57-F125 HydrophobicContact CG-CG 4.25Å; K57-F125 HydrophobicContact CG-CZ 4.11Å; K57-V130 HydrophobicContact CB-CG2 4.05Å
58I98.1Very high96.2Very high0 Ų017.9 Ų17.90%010%0.095CC..Hα-helixtrans-72-38.3-179.6-67.3167.5000111A54 K60 D61 I62 L621 R622 V625A54-I58 HydrophobicContact CB-CD1 4.19Å; A54-I58 WeakPolarHBondContact O-CB 3.49Å; A54-I58 WeakPolarHBondContact O-CD1 2.88Å; A54-I58 VanDerWaalsContact O-CG1 3.23Å; A54-I58 WeakPolarHBondContact O-CG1 3.13Å; A54-I58 PolarHBondContact O-N 3.22Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.91Å; I58-D61 PolarHBondContact O-N 3.29Å; I58-I62 HydrophobicContact CG2-CD1 3.94Å; I58-I62 HydrophobicContact CG2-CG1 4.24Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 2.92Å; I58-L621 HydrophobicContact CD1-CD2 3.92Å; I58-L621 HydrophobicContact CD1-CG 3.73Å; I58-R622 HydrophobicContact CD1-CG 4.02Å; I58-R622 HydrophobicContact CG1-CG 4.38Å; I58-R622 HydrophobicContact CG2-CB 4.17Å; I58-R622 HydrophobicContact CG2-CG 4.09Å; I58-V625 HydrophobicContact CB-CB 4.23Å; I58-V625 HydrophobicContact CB-CG1 4.02Å; I58-V625 HydrophobicContact CB-CG2 4.15Å; I58-V625 HydrophobicContact CD1-CG2 3.89Å; I58-V625 HydrophobicContact CG2-CB 3.88Å; I58-V625 HydrophobicContact CG2-CG1 3.87Å; I58-V625 HydrophobicContact CG2-CG2 4.26Å
59L97.8Very high96.4Very high4 Ų412.3 Ų12.32%0.0217%0.065CC..Hα-helixtrans-59.3-43.3174.4-70.8172000111.7V55 I63 V546 H578 V625 I705V55-L59 HydrophobicContact CG1-CD1 3.73Å; V55-L59 HydrophobicContact CG1-CG 4.42Å; V55-L59 WeakPolarHBondContact O-CB 3.33Å; V55-L59 WeakPolarHBondContact O-CG 3.28Å; V55-L59 PolarHBondContact O-N 3.5Å; V55-L59 VanDerWaalsContact O-N 3.09Å; L59-I63 WeakPolarHBondContact O-CG1 3.25Å; L59-I63 PolarHBondContact O-N 3.37Å; L59-V546 HydrophobicContact CB-CG1 4.34Å; L59-H578 HydrophobicContact CD1-CB 3.94Å; L59-V625 HydrophobicContact CD2-CG1 3.79Å; L59-V625 HydrophobicContact CG-CG1 3.73Å; L59-I705 HydrophobicContact CD2-CD1 3.63Å
60K97.9Very high96.5Very high0 Ų012.7 Ų12.70%07%0.067CC..Hα-helixtrans-58.7-49173.8-69.7169.5177.9168.40111L38 D40 N56 K57 I58 I62 I63 V64 F76 V546 E547L38-K60 HydrophobicContact CD1-CB 3.86Å; L38-K60 HydrophobicContact CD1-CG 4.07Å; L38-K60 HydrophobicContact CD2-CB 4.38Å; L38-K60 HydrophobicContact CD2-CD 4.02Å; L38-K60 HydrophobicContact CD2-CG 4.09Å; D40-K60 IonicContact OD1-NZ 3.62Å; D40-K60 PolarHBondContact OD1-NZ 3.42Å; N56-K60 WeakPolarHBondContact O-CG 3.35Å; N56-K60 PolarHBondContact O-N 3.05Å; N56-K60 WeakPolarHBondContact OD1-CE 3.2Å; N56-K60 PolarHBondContact OD1-NZ 2.72Å; K57-K60 HydrophobicContact CD-CD 4.49Å; K57-K60 PolarHBondContact O-N 2.99Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.91Å; K60-I62 PolarHBondContact O-N 3.28Å; K60-I63 PolarHBondContact O-N 3.19Å; K60-V64 WeakPolarHBondContact O-CG2 3.42Å; K60-V64 PolarHBondContact O-N 3.24Å; K60-F76 HydrophobicContact CB-CZ 4.47Å; K60-F76 HydrophobicContact CD-CZ 4.44Å; K60-V546 WeakPolarHBondContact CE-O 3.45Å; K60-V546 HydrophobicContact CG-CB 3.87Å; K60-V546 HydrophobicContact CG-CG1 4.42Å; K60-V546 HydrophobicContact CG-CG2 4.12Å; K60-V546 PolarHBondContact NZ-O 3.41Å; K60-E547 WeakPolarHBondContact CE-OE1 3.12Å; K60-E547 IonicContact NZ-OE1 3.8Å; K60-E547 PolarHBondContact NZ-OE1 2.89Å
61D97.7Very high96.6Very high0 Ų09.2 Ų9.20%06%0.059CC..Hα-helixtrans-63.5-39.2-178-176.270.2000113.7K57 I58 I63 V64 R65 V130 L131 R622K57-D61 WeakPolarHBondContact O-CB 3.35Å; K57-D61 PolarHBondContact O-N 2.89Å; I58-D61 PolarHBondContact O-N 3.29Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.47Å; D61-V64 PolarHBondContact O-N 3.28Å; D61-R65 WeakPolarHBondContact O-CG 3.41Å; D61-R65 PolarHBondContact O-N 2.97Å; D61-R65 IonicContact OD1-NE 2.67Å; D61-R65 PolarHBondContact OD1-NE 3.18Å; D61-R65 WeakPolarHBondContact OD2-CD 3.48Å; D61-R65 IonicContact OD2-CZ 3.7Å; D61-R65 IonicContact OD2-NE 2.88Å; D61-R65 PolarHBondContact OD2-NE 3.16Å; D61-R65 IonicContact OD2-NH2 3.6Å; D61-V130 HydrophobicContact CB-CB 4.48Å; D61-V130 HydrophobicContact CB-CG1 4.22Å; D61-V130 HydrophobicContact CB-CG2 4.35Å; D61-L131 PolarHBondContact OD1-N 3.49Å; D61-R622 IonicContact OD2-CZ 3.71Å; D61-R622 IonicContact OD2-NH1 2.72Å; D61-R622 PolarHBondContact OD2-NH1 2.67Å; D61-R622 IonicContact OD2-NH2 3.02Å; D61-R622 PolarHBondContact OD2-NH2 2.97Å
62I98.2Very high96.6Very high0 Ų011.3 Ų11.30%07%0.068CC..Hα-helixtrans-56.3-45175.3-70.2168.9000110.2I58 K60 Y66 A626 L700 I705 P762 I763I58-I62 HydrophobicContact CG2-CD1 3.94Å; I58-I62 HydrophobicContact CG2-CG1 4.24Å; I58-I62 VanDerWaalsContact O-CG1 3.29Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 2.92Å; K60-I62 PolarHBondContact O-N 3.28Å; I62-Y66 WeakPolarHBondContact O-CB 3.03Å; I62-Y66 PolarHBondContact O-N 3.32Å; I62-A626 HydrophobicContact CD1-CB 4.29Å; I62-L700 HydrophobicContact CG2-CD2 4.46Å; I62-I705 HydrophobicContact CB-CD1 4.33Å; I62-I705 HydrophobicContact CD1-CG2 3.94Å; I62-I705 HydrophobicContact CG2-CD1 4.07Å; I62-I705 HydrophobicContact CG2-CG1 4.23Å; I62-I705 HydrophobicContact CG2-CG2 4.34Å; I62-P762 HydrophobicContact CG2-CB 4.44Å; I62-I763 HydrophobicContact CD1-CG1 4.44Å; I62-I763 HydrophobicContact CD1-CG2 4.41Å; I62-I763 HydrophobicContact CG1-CG1 4.45Å; I62-I763 HydrophobicContact CG2-CG1 3.97Å
63I97.9Very high96.7Very high5 Ų512.7 Ų12.73%0.0267%0.067CC..Hα-helixtrans-70.4-42.1-179.8-61.4166.7000110.8F36 L59 K60 D61 R65 Y66 K67 L544 I576 Y703 I705F36-I63 HydrophobicContact CE1-CG2 4.23Å; F36-I63 HydrophobicContact CZ-CG2 3.99Å; L59-I63 WeakPolarHBondContact O-CG1 3.25Å; L59-I63 PolarHBondContact O-N 3.37Å; K60-I63 PolarHBondContact O-N 3.19Å; D61-I63 VanDerWaalsContact C-N 3.26Å; D61-I63 PolarHBondContact O-N 3.47Å; I63-R65 PolarHBondContact O-N 3.43Å; I63-Y66 PolarHBondContact O-N 3.09Å; I63-K67 HydrophobicContact CG2-CG 4.24Å; I63-K67 WeakPolarHBondContact O-CB 3.15Å; I63-K67 WeakPolarHBondContact O-CG 3.48Å; I63-K67 PolarHBondContact O-N 3.34Å; I63-L544 HydrophobicContact CB-CD2 4.33Å; I63-L544 HydrophobicContact CD1-CD2 3.53Å; I63-L544 HydrophobicContact CG1-CD2 4.49Å; I63-L544 HydrophobicContact CG2-CD2 3.79Å; I63-I576 HydrophobicContact CD1-CD1 3.63Å; I63-Y703 HydrophobicContact CD1-CD1 3.67Å; I63-Y703 HydrophobicContact CD1-CE1 4.23Å; I63-Y703 HydrophobicContact CG1-CD1 4.1Å; I63-Y703 HydrophobicContact CG2-CD1 4.29Å; I63-Y703 HydrophobicContact CG2-CE1 3.94Å; I63-I705 HydrophobicContact CD1-CD1 4.31Å; I63-I705 HydrophobicContact CG1-CD1 4.17Å
64V97.4Very high96.7Very high0 Ų011.4 Ų11.40%06%0.061CC..Hα-helixtrans-55.8-51.3175.51640000110.7Y23 L38 K60 D61 Y66 K67 I68 V74 F76 L131Y23-V64 HydrophobicContact CD2-CG1 4.34Å; Y23-V64 HydrophobicContact CE2-CG1 3.95Å; L38-V64 HydrophobicContact CD1-CG2 3.91Å; K60-V64 WeakPolarHBondContact O-CG2 3.42Å; K60-V64 PolarHBondContact O-N 3.24Å; D61-V64 PolarHBondContact O-N 3.28Å; V64-Y66 PolarHBondContact O-N 3.06Å; V64-K67 PolarHBondContact O-N 3.11Å; V64-I68 HydrophobicContact CG1-CD1 4.02Å; V64-I68 WeakPolarHBondContact O-CG1 3.21Å; V64-I68 PolarHBondContact O-N 2.83Å; V64-V74 HydrophobicContact CB-CG1 4.28Å; V64-V74 HydrophobicContact CG1-CB 4.49Å; V64-V74 HydrophobicContact CG1-CG1 3.87Å; V64-V74 HydrophobicContact CG2-CG1 3.98Å; V64-F76 HydrophobicContact CG2-CB 4.07Å; V64-F76 HydrophobicContact CG2-CD1 3.94Å; V64-F76 HydrophobicContact CG2-CG 4.21Å; V64-L131 HydrophobicContact CG1-CB 4.46Å
65R97Very high96.6Very high13 Ų1313.3 Ų13.35%0.0497%0.07CC..Hα-helixtrans-62-44.7178.6-70.9173.4-179.3-85.90.2111.5D61 I63 K67 I68 M69 A129 L131 P762 L784D61-R65 WeakPolarHBondContact O-CG 3.41Å; D61-R65 PolarHBondContact O-N 2.97Å; D61-R65 IonicContact OD1-NE 2.67Å; D61-R65 PolarHBondContact OD1-NE 3.18Å; D61-R65 WeakPolarHBondContact OD2-CD 3.48Å; D61-R65 IonicContact OD2-CZ 3.7Å; D61-R65 IonicContact OD2-NE 2.88Å; D61-R65 PolarHBondContact OD2-NE 3.16Å; D61-R65 IonicContact OD2-NH2 3.6Å; I63-R65 PolarHBondContact O-N 3.43Å; R65-K67 VanDerWaalsContact C-N 3.35Å; R65-K67 PolarHBondContact O-N 3.39Å; R65-I68 PolarHBondContact O-N 3.28Å; R65-M69 VanDerWaalsContact O-CG 3.29Å; R65-M69 WeakPolarHBondContact O-CG 3.47Å; R65-M69 PolarHBondContact O-N 3.24Å; R65-A129 PolarHBondContact NH2-O 3.09Å; R65-L131 HydrophobicContact CG-CD1 3.86Å; R65-P762 HydrophobicContact CB-CB 3.84Å; R65-P762 HydrophobicContact CB-CG 4.43Å; R65-P762 WeakPolarHBondContact CD-O 3.49Å; R65-L784 HydrophobicContact CB-CD1 4.31Å
66Y97.7Very high96.6Very high2 Ų213.2 Ų13.21%0.0087%0.07CC..Hα-helixtrans-59-43.8176.5172.6-105.1000112.5I62 I63 V64 M69 T70 R697 L700 E701 W788I62-Y66 WeakPolarHBondContact O-CB 3.03Å; I62-Y66 PolarHBondContact O-N 3.32Å; I63-Y66 PolarHBondContact O-N 3.09Å; V64-Y66 PolarHBondContact O-N 3.06Å; Y66-M69 PolarHBondContact O-N 2.92Å; Y66-T70 HydrophobicContact CD2-CG2 4.15Å; Y66-T70 HydrophobicContact CE1-CG2 4.16Å; Y66-T70 HydrophobicContact CE2-CG2 3.59Å; Y66-T70 WeakPolarHBondContact O-CG2 3.32Å; Y66-T70 PolarHBondContact O-N 3.25Å; Y66-T70 PolarHBondContact O-OG1 2.75Å; Y66-R697 WeakPolarHBondContact OH-CG 3.47Å; Y66-L700 HydrophobicContact CD1-CB 4.09Å; Y66-L700 HydrophobicContact CD2-CB 3.92Å; Y66-L700 HydrophobicContact CD2-CD1 3.52Å; Y66-L700 HydrophobicContact CD2-CG 4.34Å; Y66-L700 HydrophobicContact CE1-CB 3.98Å; Y66-L700 HydrophobicContact CE2-CB 3.78Å; Y66-L700 HydrophobicContact CE2-CD1 3.82Å; Y66-L700 HydrophobicContact CE2-CG 4.47Å; Y66-L700 HydrophobicContact CG-CB 4.07Å; Y66-L700 HydrophobicContact CG-CD1 4.15Å; Y66-E701 HydrophobicContact CE1-CG 4.36Å; Y66-E701 VanDerWaalsContact CE1-OE1 3.25Å; Y66-E701 WeakPolarHBondContact CE1-OE1 3.5Å; Y66-E701 VanDerWaalsContact CZ-OE1 3.3Å; Y66-E701 VanDerWaalsContact OH-CD 3.26Å; Y66-E701 WeakPolarHBondContact OH-CG 3.01Å; Y66-E701 PolarHBondContact OH-OE1 3.39Å; Y66-W788 HydrophobicContact CD2-CD2 4.15Å; Y66-W788 AromaticContact CD2-CE3 3.63Å; Y66-W788 HydrophobicContact CD2-CE3 3.63Å; Y66-W788 HydrophobicContact CD2-CH2 4.1Å; Y66-W788 AromaticContact CD2-CZ3 3.62Å; Y66-W788 HydrophobicContact CD2-CZ3 3.62Å; Y66-W788 AromaticContact CE2-CD2 3.8Å; Y66-W788 HydrophobicContact CE2-CD2 3.8Å; Y66-W788 AromaticContact CE2-CE2 3.93Å; Y66-W788 AromaticContact CE2-CE3 3.78Å; Y66-W788 HydrophobicContact CE2-CE3 3.78Å; Y66-W788 HydrophobicContact CE2-CH2 4.04Å; Y66-W788 HydrophobicContact CE2-CZ2 4.04Å; Y66-W788 AromaticContact CE2-CZ3 3.91Å; Y66-W788 HydrophobicContact CE2-CZ3 3.91Å
67K97.1Very high96.5Very high13 Ų1315.3 Ų15.36%0.0578%0.076CC..Hα-helixtrans-66.9-39.1178.6-70.5-64.1-176.7-175.30112.4F36 I63 V64 R65 T70 G71 H72 V74 E701F36-K67 HydrophobicContact CD1-CB 4.24Å; F36-K67 HydrophobicContact CD1-CG 4Å; F36-K67 HydrophobicContact CD2-CD 3.99Å; F36-K67 HydrophobicContact CD2-CG 3.96Å; F36-K67 HydrophobicContact CE1-CG 4.09Å; F36-K67 HydrophobicContact CE2-CD 4.17Å; F36-K67 HydrophobicContact CE2-CG 4.05Å; F36-K67 HydrophobicContact CG-CB 4.24Å; F36-K67 HydrophobicContact CG-CD 4.35Å; F36-K67 HydrophobicContact CG-CG 3.93Å; F36-K67 HydrophobicContact CZ-CG 4.11Å; I63-K67 HydrophobicContact CG2-CG 4.24Å; I63-K67 WeakPolarHBondContact O-CB 3.15Å; I63-K67 WeakPolarHBondContact O-CG 3.48Å; I63-K67 PolarHBondContact O-N 3.34Å; V64-K67 PolarHBondContact O-N 3.11Å; R65-K67 VanDerWaalsContact C-N 3.35Å; R65-K67 PolarHBondContact O-N 3.39Å; K67-T70 WeakPolarHBondContact CA-OG1 3.37Å; K67-T70 PolarHBondContact O-N 3.06Å; K67-T70 PolarHBondContact O-OG1 2.94Å; K67-T70 VanDerWaalsContact O-OG1 3.1Å; K67-G71 PolarHBondContact O-N 3.23Å; K67-H72 HydrophobicContact CB-CB 4.18Å; K67-H72 VanDerWaalsContact O-CB 3.3Å; K67-H72 WeakPolarHBondContact O-CB 3.12Å; K67-H72 PolarHBondContact O-N 3.41Å; K67-H72 PolarHBondContact O-ND1 2.83Å; K67-V74 HydrophobicContact CB-CG2 3.73Å; K67-E701 IonicContact NZ-OE1 3.23Å; K67-E701 IonicContact NZ-OE2 3.59Å; K67-E701 PolarHBondContact NZ-OE2 3.45Å
68I95.5Very high96.4Very high23 Ų2315.2 Ų15.212%0.1188%0.076CC..Hα-helixtrans-58.5-49.6171.2-67.5167.4000110.3Y23 Q26 V64 R65 T70 G71 V74 L131 L784Y23-I68 HydrophobicContact CD2-CD1 3.86Å; Y23-I68 HydrophobicContact CE2-CD1 4.41Å; Q26-I68 HydrophobicContact CG-CD1 4.45Å; V64-I68 HydrophobicContact CG1-CD1 4.02Å; V64-I68 WeakPolarHBondContact O-CG1 3.21Å; V64-I68 PolarHBondContact O-N 2.83Å; R65-I68 PolarHBondContact O-N 3.28Å; I68-T70 VanDerWaalsContact C-N 3.25Å; I68-T70 PolarHBondContact O-N 3.05Å; I68-G71 PolarHBondContact O-N 2.69Å; I68-G71 VanDerWaalsContact O-N 3.08Å; I68-V74 HydrophobicContact CD1-CB 4.49Å; I68-V74 HydrophobicContact CD1-CG2 4.5Å; I68-V74 HydrophobicContact CG1-CB 4.03Å; I68-V74 HydrophobicContact CG1-CG2 3.62Å; I68-L131 HydrophobicContact CD1-CD1 4.46Å; I68-L784 HydrophobicContact CB-CD1 4.31Å; I68-L784 HydrophobicContact CG2-CD1 4.02Å; I68-L784 HydrophobicContact CG2-CG 4.28Å
69M95.3Very high96.3Very high8 Ų815.2 Ų15.24%0.0398%0.076CC..Hα-helixtrans-63.7-30.9-178.8-69.6-17578.400112.8R65 Y66 G71 R758 A761 P762 L784 G787 W788R65-M69 VanDerWaalsContact O-CG 3.29Å; R65-M69 WeakPolarHBondContact O-CG 3.47Å; R65-M69 PolarHBondContact O-N 3.24Å; Y66-M69 PolarHBondContact O-N 2.92Å; M69-G71 PolarHBondContact O-N 3.2Å; M69-R758 HydrophobicContact CE-CB 4.15Å; M69-R758 VanDerWaalsContact CE-O 3.28Å; M69-R758 WeakPolarHBondContact CE-O 3.47Å; M69-A761 HydrophobicContact CE-CB 4.22Å; M69-A761 HydrophobicContact SD-CB 4.14Å; M69-P762 HydrophobicContact SD-CG 3.66Å; M69-L784 HydrophobicContact CG-CD1 3.49Å; M69-L784 VanDerWaalsContact CG-CD1 3.49Å; M69-L784 HydrophobicContact SD-CD1 4.05Å; M69-G787 WeakPolarHBondContact CE-O 3.16Å; M69-G787 CarbonylContact O-C 3.55Å; M69-G787 WeakPolarHBondContact O-CA 3.37Å; M69-W788 HydrophobicContact CB-CB 4.08Å; M69-W788 HydrophobicContact CB-CE3 4.5Å; M69-W788 WeakPolarHBondContact O-CB 3.3Å; M69-W788 PolarHBondContact O-N 3.2Å
70T95.7Very high96.3Very high33 Ų3315 Ų1520%0.2028%0.075CC..THydrogen-bonded Turntrans-87.112.7177.351.80000113.8Y66 K67 I68 H72 W788Y66-T70 HydrophobicContact CD2-CG2 4.15Å; Y66-T70 HydrophobicContact CE1-CG2 4.16Å; Y66-T70 HydrophobicContact CE2-CG2 3.59Å; Y66-T70 WeakPolarHBondContact O-CG2 3.32Å; Y66-T70 PolarHBondContact O-N 3.25Å; Y66-T70 PolarHBondContact O-OG1 2.75Å; K67-T70 WeakPolarHBondContact CA-OG1 3.37Å; K67-T70 PolarHBondContact O-N 3.06Å; K67-T70 PolarHBondContact O-OG1 2.94Å; K67-T70 VanDerWaalsContact O-OG1 3.1Å; I68-T70 VanDerWaalsContact C-N 3.25Å; I68-T70 PolarHBondContact O-N 3.05Å; T70-H72 PolarHBondContact OG1-ND1 3.01Å; T70-W788 HydrophobicContact CG2-CB 3.77Å; T70-W788 HydrophobicContact CG2-CD2 4.36Å; T70-W788 HydrophobicContact CG2-CG 3.88Å
71G93.9Very high96.1Very high27 Ų2715.2 Ų15.228%0.2788%0.076SC..THydrogen-bonded Turntrans87.918.8171.300000115K33 K67 I68 M69K33-G71 WeakPolarHBondContact CB-O 3.49Å; K33-G71 WeakPolarHBondContact CD-O 3.42Å; K33-G71 VanDerWaalsContact CG-O 3.25Å; K33-G71 WeakPolarHBondContact CG-O 3.24Å; K67-G71 PolarHBondContact O-N 3.23Å; I68-G71 PolarHBondContact O-N 2.69Å; I68-G71 VanDerWaalsContact O-N 3.08Å; M69-G71 PolarHBondContact O-N 3.2Å
72H95.7Very high96Very high44 Ų4415.2 Ų15.220%0.2048%0.076CC..  trans-90.1147.9171.2-60.371.3000111P34 F36 K67 T70 V74P34-H72 CarbonylContact O-C 3.53Å; P34-H72 WeakPolarHBondContact O-CA 3.22Å; F36-H72 HydrophobicContact CB-CB 4.07Å; K67-H72 HydrophobicContact CB-CB 4.18Å; K67-H72 VanDerWaalsContact O-CB 3.3Å; K67-H72 WeakPolarHBondContact O-CB 3.12Å; K67-H72 PolarHBondContact O-N 3.41Å; K67-H72 PolarHBondContact O-ND1 2.83Å; T70-H72 PolarHBondContact OG1-ND1 3.01Å; H72-V74 HydrophobicContact CB-CG2 4.45Å
73R95.1Very high95.7Very high49 Ų4915.7 Ų15.719%0.1858%0.078CC..EExtended strand (participates in β ladder)trans-78.4130.6157-65.8-177-71.3130.51.1108.2L27 D30 P31 K33 P34 L35 F36L27-R73 HydrophobicContact CD1-CB 4.39Å; L27-R73 WeakPolarHBondContact O-CD 3.29Å; D30-R73 WeakPolarHBondContact O-CD 3.33Å; D30-R73 PolarHBondContact O-NE 2.86Å; P31-R73 PolarHBondContact O-NH2 3.14Å; P31-R73 VanDerWaalsContact O-NH2 3.09Å; K33-R73 HydrophobicContact CB-CG 3.84Å; K33-R73 PolarHBondContact O-NE 3.39Å; K33-R73 PolarHBondContact O-NH2 2.72Å; K33-R73 VanDerWaalsContact O-NH2 3.09Å; P34-R73 PolarHBondContact O-N 2.86Å; L35-R73 CarbonylContact C-O 3.55Å; L35-R73 WeakPolarHBondContact CA-O 3.37Å; L35-R73 HydrophobicContact CD1-CB 4.12Å; F36-R73 PolarHBondContact N-O 2.82Å
74V95.5Very high94.9Very high0 Ų015.4 Ų15.40%08%0.077CC..EExtended strand (participates in β ladder)trans-111.2128.2-178.5-179.30000110.8Q26 F36 V64 K67 I68 H72 F76Q26-V74 PolarHBondContact NE2-O 3.11Å; F36-V74 HydrophobicContact CB-CG2 4.32Å; F36-V74 HydrophobicContact CD1-CG1 4.21Å; F36-V74 HydrophobicContact CD1-CG2 4.38Å; F36-V74 WeakPolarHBondContact O-CA 3.44Å; V64-V74 HydrophobicContact CB-CG1 4.28Å; V64-V74 HydrophobicContact CG1-CB 4.49Å; V64-V74 HydrophobicContact CG1-CG1 3.87Å; V64-V74 HydrophobicContact CG2-CG1 3.98Å; K67-V74 HydrophobicContact CB-CG2 3.73Å; I68-V74 HydrophobicContact CD1-CB 4.49Å; I68-V74 HydrophobicContact CD1-CG2 4.5Å; I68-V74 HydrophobicContact CG1-CB 4.03Å; I68-V74 HydrophobicContact CG1-CG2 3.62Å; H72-V74 HydrophobicContact CB-CG2 4.45Å; V74-F76 HydrophobicContact CG1-CB 4.41Å
75H94.7Very high93.9Very high39 Ų3915.9 Ų15.918%0.1818%0.079CC..EExtended strand (participates in β ladder)trans-111.3100.5170.6-177-155.4000109.3L27 L35 F36 V37 L38L27-H75 HydrophobicContact CD1-CB 4.28Å; L35-H75 HydrophobicContact CD1-CB 4.1Å; F36-H75 PolarHBondContact O-N 3.06Å; V37-H75 HydrophobicContact CG2-CB 4.42Å; L38-H75 PolarHBondContact N-O 2.55Å
76F95.6Very high93.2Very high0 Ų016 Ų160%08%0.082CC..EExtended strand (participates in β ladder)trans-121.6105.9173.3170.5-144.7000109.3Y23 L38 D40 K60 V64 V74 P78 V130 L131 D133Y23-F76 WeakPolarHBondContact OH-CA 3.46Å; Y23-F76 WeakPolarHBondContact OH-CB 3.4Å; Y23-F76 PolarHBondContact OH-N 3.17Å; Y23-F76 PolarHBondContact OH-O 3.05Å; L38-F76 HydrophobicContact CB-CB 4.23Å; L38-F76 HydrophobicContact CB-CD2 4.27Å; L38-F76 HydrophobicContact CB-CG 4.49Å; L38-F76 HydrophobicContact CD2-CD2 3.48Å; L38-F76 VanDerWaalsContact CD2-CD2 3.48Å; L38-F76 HydrophobicContact CD2-CE2 3.6Å; L38-F76 HydrophobicContact CD2-CG 4.3Å; L38-F76 HydrophobicContact CD2-CZ 4.49Å; L38-F76 HydrophobicContact CG-CD2 4.36Å; D40-F76 HydrophobicContact CB-CD2 4.23Å; D40-F76 HydrophobicContact CB-CE2 3.66Å; K60-F76 HydrophobicContact CB-CZ 4.47Å; K60-F76 HydrophobicContact CD-CZ 4.44Å; V64-F76 HydrophobicContact CG2-CB 4.07Å; V64-F76 HydrophobicContact CG2-CD1 3.94Å; V64-F76 HydrophobicContact CG2-CG 4.21Å; V74-F76 HydrophobicContact CG1-CB 4.41Å; F76-P78 HydrophobicContact CZ-CG 4.42Å; F76-P78 WeakPolarHBondContact O-CD 3.18Å; F76-V130 HydrophobicContact CE1-CG1 4.06Å; F76-L131 WeakPolarHBondContact CD1-O 3.33Å; F76-L131 WeakPolarHBondContact CE1-O 3.3Å; F76-D133 PolarHBondContact O-N 3.08Å
77R94.9Very high92.5Very high59 Ų5916 Ų1622%0.2238%0.082CC..  trans-105.4106.7-179.6-173.9-173.6178.3168.79.9109.9N136 R137 Y138 A533 I534R77-N136 WeakPolarHBondContact CD-O 3.11Å; R77-N136 VanDerWaalsContact CG-O 3.26Å; R77-N136 WeakPolarHBondContact CG-O 3.39Å; R77-N136 VanDerWaalsContact CZ-O 3.26Å; R77-N136 PolarHBondContact NE-O 3.07Å; R77-N136 PolarHBondContact NH2-O 3.06Å; R77-R137 PolarHBondContact NH2-O 3.4Å; R77-R137 VanDerWaalsContact NH2-O 3.15Å; R77-Y138 HydrophobicContact CG-CD1 4.29Å; R77-A533 WeakPolarHBondContact CD-O 3.49Å; R77-A533 PolarHBondContact NH1-O 2.9Å; R77-I534 HydrophobicContact CB-CD1 4.36Å; R77-I534 HydrophobicContact CB-CG1 4.23Å
78P96.2Very high91.8Very high0 Ų016.2 Ų16.20%08%0.083CC..  trans-65.1141.8-178.1-24.836.8000113.6D40 F76 W80 D133 W134 R137 Y138D40-P78 VanDerWaalsContact OD2-CA 3.29Å; D40-P78 WeakPolarHBondContact OD2-CA 3.29Å; F76-P78 HydrophobicContact CZ-CG 4.42Å; F76-P78 WeakPolarHBondContact O-CD 3.18Å; P78-W80 HydrophobicContact CB-CH2 4.14Å; P78-W80 HydrophobicContact CB-CZ3 3.89Å; P78-D133 WeakPolarHBondContact CD-O 3.18Å; P78-W134 HydrophobicContact CB-CE3 3.99Å; P78-W134 HydrophobicContact CB-CH2 4.37Å; P78-W134 HydrophobicContact CB-CZ3 3.66Å; P78-W134 HydrophobicContact CG-CD2 4.2Å; P78-W134 HydrophobicContact CG-CE3 3.69Å; P78-W134 HydrophobicContact CG-CH2 4.04Å; P78-W134 HydrophobicContact CG-CZ3 3.6Å; P78-R137 WeakPolarHBondContact O-CA 3.43Å; P78-Y138 PolarHBondContact O-N 3.1Å
79G95.8Very high91.1Very high0 Ų018.3 Ų18.30%09%0.094CC..EExtended strand (participates in β ladder)trans-120.2160.3-174.500000115.7D40 P42 P43 Y138D40-G79 PolarHBondContact OD2-N 3.09Å; P42-G79 VanDerWaalsContact CB-C 3.49Å; P43-G79 VanDerWaalsContact CD-O 3.29Å; P43-G79 WeakPolarHBondContact CD-O 3.08Å; G79-Y138 CarbonylContact C-O 3.51Å; G79-Y138 VanDerWaalsContact CA-CD1 3.47Å; G79-Y138 VanDerWaalsContact CA-O 3.31Å; G79-Y138 WeakPolarHBondContact CA-O 3.42Å
80W96.7Very high90.5Very high0 Ų022.3 Ų22.30%011%0.111CC..EExtended strand (participates in β ladder)trans-142.5131.7171.3-77.7-92.5000113.7P42 P78 I118 M122 F125 W134 R137 Y138 A139 T140P42-W80 VanDerWaalsContact CB-C 3.5Å; P78-W80 HydrophobicContact CB-CH2 4.14Å; P78-W80 HydrophobicContact CB-CZ3 3.89Å; W80-I118 HydrophobicContact CB-CD1 4.28Å; W80-I118 HydrophobicContact CB-CG1 3.93Å; W80-I118 HydrophobicContact CD2-CG1 4.07Å; W80-I118 HydrophobicContact CD2-CG2 3.99Å; W80-I118 HydrophobicContact CE3-CG2 4.28Å; W80-I118 HydrophobicContact CG-CB 4.48Å; W80-I118 HydrophobicContact CG-CD1 4.43Å; W80-I118 HydrophobicContact CG-CG1 3.6Å; W80-I118 HydrophobicContact CG-CG2 4.42Å; W80-I118 HydrophobicContact CZ2-CG2 4.25Å; W80-M122 HydrophobicContact CH2-CB 3.96Å; W80-M122 HydrophobicContact CH2-CG 4.31Å; W80-M122 HydrophobicContact CZ2-CB 3.87Å; W80-F125 HydrophobicContact CZ2-CD2 4.26Å; W80-F125 HydrophobicContact CZ2-CE2 4.14Å; W80-W134 HydrophobicContact CH2-CE3 4.18Å; W80-W134 AromaticContact CH2-CZ3 3.89Å; W80-W134 HydrophobicContact CH2-CZ3 3.89Å; W80-R137 HydrophobicContact CE3-CB 4.2Å; W80-R137 HydrophobicContact CZ3-CB 3.63Å; W80-R137 HydrophobicContact CZ3-CG 4.22Å; W80-Y138 PolarHBondContact N-O 3.49Å; W80-A139 HydrophobicContact CB-CB 4.45Å; W80-A139 WeakPolarHBondContact O-CA 3.39Å; W80-T140 PolarHBondContact O-N 3.36Å; W80-T140 VanDerWaalsContact O-N 3.16Å
81D94.8Very high89.7Confident5 Ų520.7 Ų20.73%0.02710%0.101CC..BIsolated β-bridgetrans-91.8112.9176.1179.1-15.1000107.4P42 P43 Y44 A45 H83 V523P42-D81 HydrophobicContact CB-CB 4.25Å; P42-D81 HydrophobicContact CG-CB 4.16Å; P43-D81 PolarHBondContact O-N 2.84Å; Y44-D81 WeakPolarHBondContact CA-O 3.4Å; Y44-D81 HydrophobicContact CD1-CB 4.04Å; Y44-D81 HydrophobicContact CE1-CB 4.3Å; Y44-D81 WeakPolarHBondContact CE1-OD2 3.31Å; A45-D81 PolarHBondContact N-O 2.65Å; D81-H83 PolarHBondContact OD1-N 3.01Å; D81-V523 WeakPolarHBondContact OD1-CG2 3.43Å; D81-V523 WeakPolarHBondContact OD2-CG2 3.49Å
82C94.7Very high89Confident0 Ų021.1 Ų21.10%010%0.098CC..  trans-105.6-16.5-170.5-58.20000113.4A114 T140 F141 W459C82-A114 HydrophobicContact CB-CB 4.39Å; C82-T140 PolarHBondContact N-OG1 3.24Å; C82-F141 HydrophobicContact CB-CB 4.39Å; C82-F141 HydrophobicContact CB-CD1 3.37Å; C82-F141 HydrophobicContact CB-CE1 4Å; C82-F141 HydrophobicContact CB-CG 4.26Å; C82-F141 WeakPolarHBondContact SG-CD1 3.43Å; C82-F141 VanDerWaalsContact SG-CE1 3.52Å; C82-W459 PolarHBondContact O-NE1 3.37Å
83H91.6Very high88.1Confident9 Ų927.3 Ų27.34%0.04213%0.125CC..  trans-98.511-170.6-61.3141.3000113.8D81 T140 W459 G460 T461 D526D81-H83 PolarHBondContact OD1-N 3.01Å; H83-T140 PolarHBondContact CE1-O 3.32Å; H83-T140 PolarHBondContact ND1-OG1 2.76Å; H83-W459 AromaticContact CD2-CE2 3.86Å; H83-G460 VanDerWaalsContact CD2-CA 3.49Å; H83-G460 WeakPolarHBondContact CD2-CA 3.39Å; H83-T461 PolarHBondContact CE1-OG1 3.38Å; H83-D526 WeakPolarHBondContact CB-OD2 3.26Å; H83-D526 IonicContact CE1-OD2 3.66Å; H83-D526 IonicContact CG-OD2 2.69Å; H83-D526 IonicContact ND1-OD1 3.18Å; H83-D526 IonicContact ND1-OD2 3.45Å; H83-D526 PolarHBondContact ND1-OD2 2.86Å
84G81.1Confident86.7Confident0 Ų029.2 Ų29.20%015%0.146CC..  trans-64.2141172.500000113.7P86 V87G84-P86 VanDerWaalsContact C-N 3.27Å; G84-P86 VanDerWaalsContact O-N 3.14Å; G84-V87 WeakPolarHBondContact O-CB 3.46Å; G84-V87 PolarHBondContact O-N 3.04Å
85L77.1Confident85.5Confident9 Ų931.5 Ų31.55%0.04716%0.158CC..Hα-helixtrans-50.9-35.9174.7-163.846.5000114.6V87 E88 L89 R399L85-V87 PolarHBondContact O-N 3.29Å; L85-E88 HydrophobicContact CD1-CB 4.26Å; L85-E88 WeakPolarHBondContact CD1-OE2 3.4Å; L85-E88 PolarHBondContact O-N 3.46Å; L85-L89 HydrophobicContact CD1-CD1 4.44Å; L85-L89 HydrophobicContact CD1-CG 4.01Å; L85-L89 HydrophobicContact CD2-CD1 4.15Å; L85-L89 HydrophobicContact CG-CD1 3.78Å; L85-L89 HydrophobicContact CG-CG 3.87Å; L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.69Å; L85-R399 HydrophobicContact CD2-CB 4.36Å; L85-R399 HydrophobicContact CD2-CG 4.39Å
86P81.6Confident83.7Confident17 Ų1737.7 Ų37.711%0.1119%0.192CC..Hα-helixtrans-58.9-29.2177.7-26.736.7000113.6N46 G84 K90 W398N46-P86 HydrophobicContact CB-CB 4.25Å; G84-P86 VanDerWaalsContact C-N 3.27Å; G84-P86 VanDerWaalsContact O-N 3.14Å; P86-K90 VanDerWaalsContact O-CB 3.29Å; P86-K90 WeakPolarHBondContact O-CB 3.42Å; P86-K90 WeakPolarHBondContact O-CG 3.39Å; P86-K90 PolarHBondContact O-N 2.9Å; P86-K90 VanDerWaalsContact O-N 3.1Å; P86-W398 HydrophobicContact CG-CH2 3.73Å; P86-W398 HydrophobicContact CG-CZ2 4.22Å
87V83.8Confident81.4Confident0 Ų042 Ų420%022%0.222CC..Hα-helixtrans-67.3-53.6174.4176.90000109.4N46 G84 L85 L89 K90 A91 A110 F113 A114N46-V87 HydrophobicContact CB-CG2 4.08Å; G84-V87 WeakPolarHBondContact O-CB 3.46Å; G84-V87 PolarHBondContact O-N 3.04Å; L85-V87 PolarHBondContact O-N 3.29Å; V87-L89 PolarHBondContact O-N 3.49Å; V87-K90 PolarHBondContact O-N 3.3Å; V87-A91 VanDerWaalsContact O-CB 3.28Å; V87-A91 WeakPolarHBondContact O-CB 3.37Å; V87-A91 PolarHBondContact O-N 3.4Å; V87-A110 HydrophobicContact CG1-CB 4.28Å; V87-F113 HydrophobicContact CG1-CD1 4.1Å; V87-A114 HydrophobicContact CG1-CB 4.18Å
88E83.6Confident79.2Confident19 Ų1942.2 Ų42.29%0.08924%0.242CC..Hα-helixtrans-58.8-46.2179.1-176.2178.1-167.800112.1L85 A91 T92 I106 R457 W459L85-E88 HydrophobicContact CD1-CB 4.26Å; L85-E88 WeakPolarHBondContact CD1-OE2 3.4Å; L85-E88 PolarHBondContact O-N 3.46Å; E88-A91 PolarHBondContact O-N 2.87Å; E88-T92 PolarHBondContact O-N 3.29Å; E88-T92 PolarHBondContact O-OG1 2.9Å; E88-I106 HydrophobicContact CG-CG2 3.91Å; E88-R457 WeakPolarHBondContact OE2-CD 3.49Å; E88-W459 HydrophobicContact CB-CB 4.04Å; E88-W459 HydrophobicContact CB-CG 4.3Å; E88-W459 HydrophobicContact CG-CB 3.97Å
89L80.8Confident77Confident67 Ų6748.1 Ų48.135%0.35128%0.283SS..Hα-helixtrans-65.3-39.5178.5-72.3175000113L85 V87 T92 K93 R399L85-L89 HydrophobicContact CD1-CD1 4.44Å; L85-L89 HydrophobicContact CD1-CG 4.01Å; L85-L89 HydrophobicContact CD2-CD1 4.15Å; L85-L89 HydrophobicContact CG-CD1 3.78Å; L85-L89 HydrophobicContact CG-CG 3.87Å; L85-L89 WeakPolarHBondContact O-CB 3.31Å; L85-L89 WeakPolarHBondContact O-CG 3.46Å; L85-L89 PolarHBondContact O-N 2.69Å; V87-L89 PolarHBondContact O-N 3.49Å; L89-T92 WeakPolarHBondContact CA-OG1 3.37Å; L89-T92 PolarHBondContact O-OG1 3.06Å; L89-K93 WeakPolarHBondContact O-CB 3.48Å; L89-K93 VanDerWaalsContact O-CG 3.29Å; L89-K93 WeakPolarHBondContact O-CG 3.44Å; L89-K93 PolarHBondContact O-N 3.43Å; L89-R399 HydrophobicContact CD1-CB 4.41Å
90K81.9Confident74.9Confident91 Ų9155.8 Ų55.840%0.39632%0.324SS..Hα-helixtrans-70.7-37176.7-75.5179.8-173.7-176.40111.2N46 P86 V87 F113N46-K90 VanDerWaalsContact O-CD 3.29Å; N46-K90 WeakPolarHBondContact O-CD 3.44Å; N46-K90 PolarHBondContact O-NZ 2.91Å; P86-K90 VanDerWaalsContact O-CB 3.29Å; P86-K90 WeakPolarHBondContact O-CB 3.42Å; P86-K90 WeakPolarHBondContact O-CG 3.39Å; P86-K90 PolarHBondContact O-N 2.9Å; P86-K90 VanDerWaalsContact O-N 3.1Å; V87-K90 PolarHBondContact O-N 3.3Å; K90-F113 HydrophobicContact CB-CE1 4.05Å; K90-F113 HydrophobicContact CB-CE2 4.08Å; K90-F113 HydrophobicContact CB-CZ 3.77Å; K90-F113 HydrophobicContact CD-CE1 4.03Å; K90-F113 HydrophobicContact CD-CE2 4.5Å; K90-F113 HydrophobicContact CD-CZ 3.6Å; K90-F113 HydrophobicContact CG-CZ 4.33Å
91A79.5Confident73.4Confident0 Ų057.7 Ų57.70%034%0.336CS..Hα-helixtrans-67.1-46.2175.200000111.9V87 E88 K93 S94 A109 A110 F113V87-A91 VanDerWaalsContact O-CB 3.28Å; V87-A91 WeakPolarHBondContact O-CB 3.37Å; V87-A91 PolarHBondContact O-N 3.4Å; E88-A91 PolarHBondContact O-N 2.87Å; A91-K93 PolarHBondContact O-N 3.27Å; A91-S94 PolarHBondContact O-N 3.28Å; A91-S94 VanDerWaalsContact O-N 3.09Å; A91-S94 PolarHBondContact O-OG 2.86Å; A91-A109 HydrophobicContact CB-CB 4.08Å; A91-A110 HydrophobicContact CB-CB 4.07Å; A91-F113 HydrophobicContact CB-CB 4.29Å
92T78.6Confident72.9Confident35 Ų3561.9 Ų61.922%0.21536%0.358CS..Hα-helixtrans-67.5-32.2177.833.10000113.3E88 L89 S94 L95 I106E88-T92 PolarHBondContact O-N 3.29Å; E88-T92 PolarHBondContact O-OG1 2.9Å; L89-T92 WeakPolarHBondContact CA-OG1 3.37Å; L89-T92 PolarHBondContact O-OG1 3.06Å; T92-S94 PolarHBondContact O-N 3.46Å; T92-S94 VanDerWaalsContact O-N 3.15Å; T92-L95 HydrophobicContact CG2-CD1 4.35Å; T92-L95 PolarHBondContact O-N 3.41Å; T92-I106 HydrophobicContact CG2-CD1 4.49Å; T92-I106 HydrophobicContact CG2-CG1 3.95Å; T92-I106 HydrophobicContact CG2-CG2 4.2Å
93K76Confident72.6Confident175 Ų17563.8 Ų63.876%0.76137%0.371SS*.THydrogen-bonded Turntrans-58.7-24.4170.8-81.6178.2-177.5-175.40113.9L89 A91L89-K93 WeakPolarHBondContact O-CB 3.48Å; L89-K93 VanDerWaalsContact O-CG 3.29Å; L89-K93 WeakPolarHBondContact O-CG 3.44Å; L89-K93 PolarHBondContact O-N 3.43Å; A91-K93 PolarHBondContact O-N 3.27Å
94S67.2Low72.5Confident89 Ų8965.2 Ų65.262%0.62238%0.378SS*.THydrogen-bonded Turntrans-86.9-9.3175.970.60000113.8A91 T92A91-S94 PolarHBondContact O-N 3.28Å; A91-S94 VanDerWaalsContact O-N 3.09Å; A91-S94 PolarHBondContact O-OG 2.86Å; T92-S94 PolarHBondContact O-N 3.46Å; T92-S94 VanDerWaalsContact O-N 3.15Å
95L69.2Low72.9Confident48 Ų4867 Ų6725%0.25139%0.392SS..SBendtrans-96.9107.1172.6-60.8170000107T92 C97 A109T92-L95 HydrophobicContact CG2-CD1 4.35Å; T92-L95 PolarHBondContact O-N 3.41Å; L95-C97 PolarHBondContact O-N 3.29Å; L95-A109 HydrophobicContact CD1-CB 3.75Å; L95-A109 HydrophobicContact CD2-CB 4.23Å; L95-A109 HydrophobicContact CG-CB 4.13Å
96D56.9Low73.5Confident169 Ų16967.2 Ų67.290%0.90439%0.394SS*.  trans-67.425.2178-82.8-29.6000114.1
97C46.8Very low74Confident91 Ų9166.8 Ų66.862%0.61539%0.39SS*.  trans-105.7131.4-172.9-62.70000110.9L95 T101L95-C97 PolarHBondContact O-N 3.29Å; C97-T101 HydrophobicContact CB-CG2 3.98Å
98G48.9Very low74.4Confident63 Ų6370.5 Ų70.565%0.64941%0.413SS*.  trans-56176-179.500000115N100G98-N100 PolarHBondContact O-N 3.02Å
99S51.1Low74.8Confident124 Ų12470.4 Ų70.487%0.86742%0.415SS*.SBendtrans-59.911.8-166.160.50000118.4
100N51.3Low75.3Confident161 Ų16167.2 Ų67.286%0.86140%0.399SS*.  trans-128.452.6-178.8-137.629.2000110.6G98G98-N100 PolarHBondContact O-N 3.02Å
101T65.2Low75.9Confident40 Ų4067.9 Ų67.925%0.24540%0.399CS..  trans-76134.3-176.87.70000111.3C97 I106C97-T101 HydrophobicContact CB-CG2 3.98Å; T101-I106 HydrophobicContact CG2-CG1 4.4Å
102D84.6Confident76.5Confident92 Ų9275.4 Ų75.449%0.49243%0.432SS..  trans-48125.916716819000110.6I104 A105 I106D102-I104 PolarHBondContact O-N 2.74Å; D102-I104 VanDerWaalsContact O-N 3.12Å; D102-I104 PolarHBondContact OD1-N 2.97Å; D102-A105 HydrophobicContact CB-CB 4.15Å; D102-A105 WeakPolarHBondContact O-CB 3.39Å; D102-A105 PolarHBondContact O-N 2.84Å; D102-A105 VanDerWaalsContact O-N 3.09Å; D102-I106 PolarHBondContact O-N 3Å
103P87.3Confident77.2Confident41 Ų4176.7 Ų76.727%0.26643%0.434SS..Hα-helixtrans-49.3-36.4176.2-29.435.4000113.5I106 R107 V458 W497P103-I106 PolarHBondContact O-N 3.26Å; P103-R107 WeakPolarHBondContact O-CB 3.35Å; P103-R107 WeakPolarHBondContact O-CG 3.38Å; P103-R107 PolarHBondContact O-N 3.18Å; P103-V458 HydrophobicContact CB-CB 4.18Å; P103-V458 HydrophobicContact CB-CG1 3.91Å; P103-V458 HydrophobicContact CG-CG1 4.13Å; P103-W497 HydrophobicContact CB-CB 4.2Å; P103-W497 HydrophobicContact CB-CD2 4.22Å; P103-W497 HydrophobicContact CB-CE3 4.12Å; P103-W497 HydrophobicContact CB-CG 4.27Å; P103-W497 HydrophobicContact CG-CE3 4.37Å
104I91Very high78.1Confident38 Ų3868.3 Ų68.320%0.19540%0.398CS..Hα-helixtrans-69.8-41.6-179-62.9-53.3000112D102 I106 R107 T108 D494 W497 T498D102-I104 PolarHBondContact O-N 2.74Å; D102-I104 VanDerWaalsContact O-N 3.12Å; D102-I104 PolarHBondContact OD1-N 2.97Å; I104-I106 VanDerWaalsContact C-N 3.32Å; I104-I106 PolarHBondContact O-N 2.82Å; I104-R107 PolarHBondContact O-N 3.01Å; I104-T108 VanDerWaalsContact O-CB 3.28Å; I104-T108 WeakPolarHBondContact O-CB 3.43Å; I104-T108 PolarHBondContact O-N 3.4Å; I104-T108 PolarHBondContact O-OG1 2.94Å; I104-D494 HydrophobicContact CD1-CB 3.83Å; I104-W497 HydrophobicContact CD1-CB 3.94Å; I104-T498 HydrophobicContact CD1-CG2 3.62Å; I104-T498 HydrophobicContact CG1-CG2 3.54Å
105A89.5Confident79.5Confident37 Ų3767.3 Ų67.331%0.30638%0.383SS..Hα-helixtrans-59.4-43.9175.500000111.5D102 A109D102-A105 HydrophobicContact CB-CB 4.15Å; D102-A105 WeakPolarHBondContact O-CB 3.39Å; D102-A105 PolarHBondContact O-N 2.84Å; D102-A105 VanDerWaalsContact O-N 3.09Å; A105-A109 WeakPolarHBondContact O-CB 2.77Å; A105-A109 PolarHBondContact O-N 3.11Å
106I89.4Confident80.7Confident15 Ų1572.4 Ų72.48%0.07740%0.403CS..Hα-helixtrans-62.9-50177-63.5168.2000110.5E88 T92 T101 D102 P103 I104 T108 A109 A110 V458E88-I106 HydrophobicContact CG-CG2 3.91Å; T92-I106 HydrophobicContact CG2-CD1 4.49Å; T92-I106 HydrophobicContact CG2-CG1 3.95Å; T92-I106 HydrophobicContact CG2-CG2 4.2Å; T101-I106 HydrophobicContact CG2-CG1 4.4Å; D102-I106 PolarHBondContact O-N 3Å; P103-I106 PolarHBondContact O-N 3.26Å; I104-I106 VanDerWaalsContact C-N 3.32Å; I104-I106 PolarHBondContact O-N 2.82Å; I106-T108 PolarHBondContact O-N 3.42Å; I106-A109 PolarHBondContact O-N 3.2Å; I106-A110 VanDerWaalsContact O-CB 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.03Å; I106-A110 PolarHBondContact O-N 3.04Å; I106-V458 HydrophobicContact CB-CG2 3.79Å; I106-V458 HydrophobicContact CD1-CG2 3.69Å; I106-V458 HydrophobicContact CG1-CG2 4.35Å; I106-V458 HydrophobicContact CG2-CG2 3.56Å
107R92Very high82.5Confident7 Ų764.7 Ų64.73%0.02636%0.363CS..Hα-helixtrans-64.1-40.1-176.7-69.6173.264.582.31.9112.2P103 I104 A110 R111 V458 W459 G460 D494 W497P103-R107 WeakPolarHBondContact O-CB 3.35Å; P103-R107 WeakPolarHBondContact O-CG 3.38Å; P103-R107 PolarHBondContact O-N 3.18Å; I104-R107 PolarHBondContact O-N 3.01Å; R107-A110 PolarHBondContact O-N 3.2Å; R107-R111 VanDerWaalsContact O-CB 3.29Å; R107-R111 WeakPolarHBondContact O-CB 3.44Å; R107-R111 PolarHBondContact O-N 3.49Å; R107-V458 WeakPolarHBondContact CD-O 3.48Å; R107-V458 WeakPolarHBondContact CG-O 3.25Å; R107-V458 PolarHBondContact NH1-O 3.31Å; R107-W459 HydrophobicContact CB-CE3 4.07Å; R107-W459 HydrophobicContact CB-CZ3 4.31Å; R107-W459 HydrophobicContact CG-CE3 4.1Å; R107-W459 VanDerWaalsContact O-CZ3 3.27Å; R107-W459 WeakPolarHBondContact O-CZ3 3.18Å; R107-G460 PolarHBondContact NH1-O 3.17Å; R107-D494 IonicContact CZ-OD1 2.73Å; R107-D494 VanDerWaalsContact CZ-OD1 3.25Å; R107-D494 IonicContact NE-OD1 3.58Å; R107-D494 PolarHBondContact NE-OD1 3.34Å; R107-D494 IonicContact NH2-OD1 2.86Å; R107-D494 PolarHBondContact NH2-OD1 2.88Å; R107-W497 VanDerWaalsContact CD-CD1 3.41Å
108T91.9Very high84.9Confident79 Ų7960.8 Ų60.849%0.48534%0.336SS..Hα-helixtrans-65.4-44.7177.2-62.40000111.1I104 I106 K112I104-T108 VanDerWaalsContact O-CB 3.28Å; I104-T108 WeakPolarHBondContact O-CB 3.43Å; I104-T108 PolarHBondContact O-N 3.4Å; I104-T108 PolarHBondContact O-OG1 2.94Å; I106-T108 PolarHBondContact O-N 3.42Å; T108-K112 WeakPolarHBondContact O-CB 3.3Å; T108-K112 PolarHBondContact O-N 2.8Å
109A91.3Very high87.1Confident17 Ų1763.8 Ų63.814%0.1433%0.333CS..Hα-helixtrans-64.6-43.6176.600000112A91 L95 A105 I106 K112 F113A91-A109 HydrophobicContact CB-CB 4.08Å; L95-A109 HydrophobicContact CD1-CB 3.75Å; L95-A109 HydrophobicContact CD2-CB 4.23Å; L95-A109 HydrophobicContact CG-CB 4.13Å; A105-A109 WeakPolarHBondContact O-CB 2.77Å; A105-A109 PolarHBondContact O-N 3.11Å; I106-A109 PolarHBondContact O-N 3.2Å; A109-K112 PolarHBondContact O-N 2.98Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 2.88Å
110A92.5Very high89.3Confident0 Ų059 Ų590%030%0.3CS..Hα-helixtrans-64.1-42.8178.700000111.9V87 A91 I106 R107 F113 A114 W459V87-A110 HydrophobicContact CG1-CB 4.28Å; A91-A110 HydrophobicContact CB-CB 4.07Å; I106-A110 VanDerWaalsContact O-CB 3.29Å; I106-A110 WeakPolarHBondContact O-CB 3.03Å; I106-A110 PolarHBondContact O-N 3.04Å; R107-A110 PolarHBondContact O-N 3.2Å; A110-F113 PolarHBondContact O-N 3.2Å; A110-A114 WeakPolarHBondContact O-CB 3.47Å; A110-A114 PolarHBondContact O-N 3.21Å; A110-W459 HydrophobicContact CB-CB 4.48Å; A110-W459 HydrophobicContact CB-CD2 3.36Å; A110-W459 HydrophobicContact CB-CE3 3.64Å; A110-W459 HydrophobicContact CB-CG 3.75Å; A110-W459 HydrophobicContact CB-CH2 4.27Å; A110-W459 HydrophobicContact CB-CZ2 4.03Å; A110-W459 HydrophobicContact CB-CZ3 4.08Å
111R93.5Very high91.4Very high104 Ų10451.4 Ų51.439%0.39226%0.259SS..Hα-helixtrans-60-52.1174.6-177.2171.5-176.9151.44.8112.1R107 F113 A114 E115 W459R107-R111 VanDerWaalsContact O-CB 3.29Å; R107-R111 WeakPolarHBondContact O-CB 3.44Å; R107-R111 PolarHBondContact O-N 3.49Å; R111-F113 VanDerWaalsContact C-N 3.25Å; R111-F113 PolarHBondContact O-N 2.98Å; R111-A114 PolarHBondContact O-N 3.23Å; R111-A114 VanDerWaalsContact O-N 3.15Å; R111-E115 HydrophobicContact CG-CG 4.39Å; R111-E115 WeakPolarHBondContact CG-OE1 3.42Å; R111-E115 IonicContact CZ-OE1 3.25Å; R111-E115 IonicContact NE-OE1 3.28Å; R111-E115 PolarHBondContact NE-OE1 3.5Å; R111-E115 IonicContact NH2-OE1 2.76Å; R111-E115 WeakPolarHBondContact O-CG 3.2Å; R111-E115 PolarHBondContact O-N 2.86Å; R111-W459 HydrophobicContact CB-CH2 3.7Å; R111-W459 HydrophobicContact CB-CZ3 4.01Å; R111-W459 HydrophobicContact CG-CH2 4.45Å
112K93.3Very high92.9Very high159 Ų15951.4 Ų51.469%0.69126%0.257SS*.Hα-helixtrans-58.8-39.3179.1-176.7176.5-178.4176.60112T108 A109 K116T108-K112 WeakPolarHBondContact O-CB 3.3Å; T108-K112 PolarHBondContact O-N 2.8Å; A109-K112 PolarHBondContact O-N 2.98Å; K112-K116 PolarHBondContact O-N 2.68Å
113F93Very high93.4Very high61 Ų6153.6 Ų53.627%0.26826%0.258SS..Hα-helixtrans-65.7-45.9176.4-176.7-90000111.9N46 V87 K90 A91 A109 A110 R111 K116 A117N46-F113 WeakPolarHBondContact O-CE1 3.31Å; N46-F113 WeakPolarHBondContact O-CZ 3.31Å; V87-F113 HydrophobicContact CG1-CD1 4.1Å; K90-F113 HydrophobicContact CB-CE1 4.05Å; K90-F113 HydrophobicContact CB-CE2 4.08Å; K90-F113 HydrophobicContact CB-CZ 3.77Å; K90-F113 HydrophobicContact CD-CE1 4.03Å; K90-F113 HydrophobicContact CD-CE2 4.5Å; K90-F113 HydrophobicContact CD-CZ 3.6Å; K90-F113 HydrophobicContact CG-CZ 4.33Å; A91-F113 HydrophobicContact CB-CB 4.29Å; A109-F113 WeakPolarHBondContact O-CB 3.4Å; A109-F113 PolarHBondContact O-N 2.88Å; A110-F113 PolarHBondContact O-N 3.2Å; R111-F113 VanDerWaalsContact C-N 3.25Å; R111-F113 PolarHBondContact O-N 2.98Å; F113-K116 PolarHBondContact O-N 3.39Å; F113-A117 WeakPolarHBondContact O-CB 3.45Å; F113-A117 PolarHBondContact O-N 2.74Å
114A94.4Very high93.7Very high0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-62.7-46.1178.100000111.9A45 C82 V87 A110 R111 K116 A117 I118 F141A45-A114 HydrophobicContact CB-CB 4.04Å; C82-A114 HydrophobicContact CB-CB 4.39Å; V87-A114 HydrophobicContact CG1-CB 4.18Å; A110-A114 WeakPolarHBondContact O-CB 3.47Å; A110-A114 PolarHBondContact O-N 3.21Å; R111-A114 PolarHBondContact O-N 3.23Å; R111-A114 VanDerWaalsContact O-N 3.15Å; A114-K116 PolarHBondContact O-N 3.49Å; A114-A117 WeakPolarHBondContact O-CB 3.35Å; A114-A117 PolarHBondContact O-N 3.4Å; A114-A117 VanDerWaalsContact O-N 3.14Å; A114-I118 WeakPolarHBondContact O-CD1 3.35Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.12Å; A114-I118 PolarHBondContact O-N 2.72Å; A114-F141 HydrophobicContact CB-CD1 4.47Å; A114-F141 HydrophobicContact CB-CE1 4.02Å
115E95.7Very high93.9Very high68 Ų6850.3 Ų50.332%0.31824%0.24SC..Hα-helixtrans-57.5-46.9177.6-74.5169.8171.700111.5R111 A117 I118 E119 F141R111-E115 HydrophobicContact CG-CG 4.39Å; R111-E115 WeakPolarHBondContact CG-OE1 3.42Å; R111-E115 IonicContact CZ-OE1 3.25Å; R111-E115 IonicContact NE-OE1 3.28Å; R111-E115 PolarHBondContact NE-OE1 3.5Å; R111-E115 IonicContact NH2-OE1 2.76Å; R111-E115 WeakPolarHBondContact O-CG 3.2Å; R111-E115 PolarHBondContact O-N 2.86Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 2.98Å; E115-I118 WeakPolarHBondContact O-CB 3.49Å; E115-I118 PolarHBondContact O-N 3.46Å; E115-E119 WeakPolarHBondContact O-CG 3.26Å; E115-E119 PolarHBondContact O-N 3.32Å; E115-F141 HydrophobicContact CG-CE1 4.33Å; E115-F141 HydrophobicContact CG-CZ 3.79Å
116K95.4Very high94.1Very high155 Ų15553.3 Ų53.367%0.67425%0.245SC*.Hα-helixtrans-61.9-39.9175.4-174.9179.2179.8-179.30112.7K112 F113 A114 S120K112-K116 PolarHBondContact O-N 2.68Å; F113-K116 PolarHBondContact O-N 3.39Å; A114-K116 PolarHBondContact O-N 3.49Å; K116-S120 PolarHBondContact O-N 3.43Å; K116-S120 VanDerWaalsContact O-N 3.14Å
117A94.7Very high94.2Very high7 Ų754.5 Ų54.56%0.05825%0.251CS..Hα-helixtrans-65.4-44.3177.200000111.2A45 F113 A114 E115 E119 S120 Q121A45-A117 HydrophobicContact CB-CB 4.37Å; A45-A117 WeakPolarHBondContact O-CB 3.27Å; F113-A117 WeakPolarHBondContact O-CB 3.45Å; F113-A117 PolarHBondContact O-N 2.74Å; A114-A117 WeakPolarHBondContact O-CB 3.35Å; A114-A117 PolarHBondContact O-N 3.4Å; A114-A117 VanDerWaalsContact O-N 3.14Å; E115-A117 VanDerWaalsContact C-N 3.34Å; E115-A117 PolarHBondContact O-N 2.98Å; A117-E119 PolarHBondContact O-N 2.79Å; A117-S120 PolarHBondContact O-N 3.38Å; A117-Q121 WeakPolarHBondContact O-CB 3.29Å; A117-Q121 WeakPolarHBondContact O-CG 3.26Å; A117-Q121 PolarHBondContact O-N 2.76Å
118I96.4Very high94.4Very high8 Ų854.2 Ų54.24%0.04125%0.25CC..Hα-helixtrans-56.7-50.9175.9-70.6154.7000110.6A45 W80 A114 E115 S120 Q121 M122 A139 F141A45-I118 HydrophobicContact CB-CD1 4.29Å; A45-I118 HydrophobicContact CB-CG1 3.93Å; W80-I118 HydrophobicContact CB-CD1 4.28Å; W80-I118 HydrophobicContact CB-CG1 3.93Å; W80-I118 HydrophobicContact CD2-CG1 4.07Å; W80-I118 HydrophobicContact CD2-CG2 3.99Å; W80-I118 HydrophobicContact CE3-CG2 4.28Å; W80-I118 HydrophobicContact CG-CB 4.48Å; W80-I118 HydrophobicContact CG-CD1 4.43Å; W80-I118 HydrophobicContact CG-CG1 3.6Å; W80-I118 HydrophobicContact CG-CG2 4.42Å; W80-I118 HydrophobicContact CZ2-CG2 4.25Å; A114-I118 WeakPolarHBondContact O-CD1 3.35Å; A114-I118 VanDerWaalsContact O-CG1 3.26Å; A114-I118 WeakPolarHBondContact O-CG1 3.12Å; A114-I118 PolarHBondContact O-N 2.72Å; E115-I118 WeakPolarHBondContact O-CB 3.49Å; E115-I118 PolarHBondContact O-N 3.46Å; I118-S120 VanDerWaalsContact C-N 3.35Å; I118-S120 PolarHBondContact O-N 3.33Å; I118-Q121 PolarHBondContact O-N 2.84Å; I118-M122 WeakPolarHBondContact O-CB 3.4Å; I118-M122 PolarHBondContact O-N 2.68Å; I118-A139 HydrophobicContact CD1-CB 4.48Å; I118-F141 HydrophobicContact CD1-CE1 3.8Å; I118-F141 HydrophobicContact CD1-CZ 3.94Å
119E96.2Very high94.5Very high126 Ų12651.1 Ų51.159%0.58923%0.232SC*.Hα-helixtrans-57.9-46.3179.5-73.6175.3-17600112.2E115 A117 R123E115-E119 WeakPolarHBondContact O-CG 3.26Å; E115-E119 PolarHBondContact O-N 3.32Å; A117-E119 PolarHBondContact O-N 2.79Å; E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 PolarHBondContact O-N 2.9Å
120S96.1Very high94.7Very high25 Ų2550.5 Ų50.518%0.17523%0.227CC..Hα-helixtrans-64.5-47.4179-169.50000111.8K116 A117 I118 R123 C124K116-S120 PolarHBondContact O-N 3.43Å; K116-S120 VanDerWaalsContact O-N 3.14Å; A117-S120 PolarHBondContact O-N 3.38Å; I118-S120 VanDerWaalsContact C-N 3.35Å; I118-S120 PolarHBondContact O-N 3.33Å; S120-R123 PolarHBondContact O-N 3.06Å; S120-R123 PolarHBondContact OG-NH2 3.38Å; S120-C124 PolarHBondContact O-N 3.03Å; S120-C124 VanDerWaalsContact O-N 3.11Å; S120-C124 PolarHBondContact O-SG 3.25Å; S120-C124 VanDerWaalsContact O-SG 3.42Å
121Q96.8Very high94.8Very high0 Ų050.8 Ų50.80%023%0.228CC..Hα-helixtrans-64.3-45.8-179.7-69.2175.9-5.500111.6Y44 G47 V49 A117 I118 R123 C124 F125Y44-Q121 PolarHBondContact O-NE2 2.71Å; G47-Q121 PolarHBondContact O-NE2 2.64Å; V49-Q121 HydrophobicContact CG1-CB 3.86Å; V49-Q121 HydrophobicContact CG1-CG 3.67Å; A117-Q121 WeakPolarHBondContact O-CB 3.29Å; A117-Q121 WeakPolarHBondContact O-CG 3.26Å; A117-Q121 PolarHBondContact O-N 2.76Å; I118-Q121 PolarHBondContact O-N 2.84Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.26Å; Q121-C124 PolarHBondContact O-N 3.05Å; Q121-F125 HydrophobicContact CB-CE2 4.1Å; Q121-F125 HydrophobicContact CB-CZ 4.12Å; Q121-F125 WeakPolarHBondContact O-CD1 3.31Å; Q121-F125 WeakPolarHBondContact O-CD2 3.4Å; Q121-F125 WeakPolarHBondContact O-CG 3.25Å; Q121-F125 PolarHBondContact O-N 3.47Å
122M95.8Very high94.8Very high41 Ų4145.8 Ų45.820%0.20221%0.209CC..Hα-helixtrans-58.4-44.9176.6178175.755.700111.6W80 I118 C124 F125 K126 W134W80-M122 HydrophobicContact CH2-CB 3.96Å; W80-M122 HydrophobicContact CH2-CG 4.31Å; W80-M122 HydrophobicContact CZ2-CB 3.87Å; I118-M122 WeakPolarHBondContact O-CB 3.4Å; I118-M122 PolarHBondContact O-N 2.68Å; M122-C124 VanDerWaalsContact C-N 3.33Å; M122-C124 PolarHBondContact O-N 3.34Å; M122-F125 PolarHBondContact O-N 3.13Å; M122-K126 HydrophobicContact CG-CD 4.29Å; M122-K126 WeakPolarHBondContact O-CG 3.04Å; M122-K126 PolarHBondContact O-N 3.46Å; M122-W134 HydrophobicContact CG-CD2 4.34Å; M122-W134 HydrophobicContact CG-CE3 3.69Å; M122-W134 HydrophobicContact CG-CZ3 4.13Å; M122-W134 HydrophobicContact SD-CB 4.32Å; M122-W134 HydrophobicContact SD-CE3 4.19Å
123R94.4Very high94.9Very high138 Ų13839.1 Ų39.152%0.52118%0.181SC..Hα-helixtrans-58.7-44.4175.8177.6-17855.784.28.6111.5E119 S120 Q121 K126 E127E119-R123 WeakPolarHBondContact O-CB 3.31Å; E119-R123 PolarHBondContact O-N 2.9Å; S120-R123 PolarHBondContact O-N 3.06Å; S120-R123 PolarHBondContact OG-NH2 3.38Å; Q121-R123 VanDerWaalsContact C-N 3.34Å; Q121-R123 PolarHBondContact O-N 3.26Å; R123-K126 PolarHBondContact O-N 3.32Å; R123-E127 WeakPolarHBondContact O-CB 3.42Å; R123-E127 PolarHBondContact O-N 3.13Å
124C94.8Very high94.9Very high10 Ų1036.7 Ų36.77%0.06817%0.17CC..Hα-helixtrans-65.1-41.8177-69.30000112.4V49 S120 Q121 M122 K126 E127 W128V49-C124 HydrophobicContact CG1-CB 4.11Å; V49-C124 HydrophobicContact CG2-CB 3.66Å; S120-C124 PolarHBondContact O-N 3.03Å; S120-C124 VanDerWaalsContact O-N 3.11Å; S120-C124 PolarHBondContact O-SG 3.25Å; S120-C124 VanDerWaalsContact O-SG 3.42Å; Q121-C124 PolarHBondContact O-N 3.05Å; M122-C124 VanDerWaalsContact C-N 3.33Å; M122-C124 PolarHBondContact O-N 3.34Å; C124-K126 PolarHBondContact O-N 3.1Å; C124-E127 WeakPolarHBondContact O-CB 3.29Å; C124-E127 PolarHBondContact O-N 2.89Å; C124-W128 HydrophobicContact CB-CZ2 4.14Å; C124-W128 VanDerWaalsContact O-CD1 3.26Å; C124-W128 PolarHBondContact O-N 3.48Å; C124-W128 PolarHBondContact O-NE1 2.96Å
125F95.8Very high94.7Very high0 Ų040.7 Ų40.70%020%0.198CC..Hα-helixtrans-63.5-42.4178.2-58.8-23.3000111.8P43 V49 H53 K57 W80 Q121 M122 E127 W128 V130 W134P43-F125 HydrophobicContact CG-CE2 4.35Å; P43-F125 HydrophobicContact CG-CZ 4.41Å; V49-F125 HydrophobicContact CB-CE1 4.38Å; V49-F125 HydrophobicContact CG1-CD1 4.23Å; V49-F125 HydrophobicContact CG1-CE1 3.48Å; V49-F125 VanDerWaalsContact CG1-CE1 3.48Å; V49-F125 HydrophobicContact CG1-CZ 3.92Å; H53-F125 HydrophobicContact CB-CE1 4.1Å; K57-F125 HydrophobicContact CG-CD1 4.05Å; K57-F125 HydrophobicContact CG-CD2 4.37Å; K57-F125 HydrophobicContact CG-CE1 3.98Å; K57-F125 HydrophobicContact CG-CE2 4.31Å; K57-F125 HydrophobicContact CG-CG 4.25Å; K57-F125 HydrophobicContact CG-CZ 4.11Å; W80-F125 HydrophobicContact CZ2-CD2 4.26Å; W80-F125 HydrophobicContact CZ2-CE2 4.14Å; Q121-F125 HydrophobicContact CB-CE2 4.1Å; Q121-F125 HydrophobicContact CB-CZ 4.12Å; Q121-F125 WeakPolarHBondContact O-CD1 3.31Å; Q121-F125 WeakPolarHBondContact O-CD2 3.4Å; Q121-F125 WeakPolarHBondContact O-CG 3.25Å; Q121-F125 PolarHBondContact O-N 3.47Å; M122-F125 PolarHBondContact O-N 3.13Å; F125-E127 VanDerWaalsContact C-N 3.33Å; F125-E127 PolarHBondContact O-N 3.03Å; F125-W128 AromaticContact CD1-CE3 3.67Å; F125-W128 HydrophobicContact CD1-CE3 3.67Å; F125-W128 AromaticContact CD1-CH2 3.98Å; F125-W128 HydrophobicContact CD1-CH2 3.98Å; F125-W128 AromaticContact CD1-CZ3 3.33Å; F125-W128 HydrophobicContact CD1-CZ3 3.33Å; F125-W128 HydrophobicContact CE1-CE3 4.32Å; F125-W128 AromaticContact CE1-CH2 3.94Å; F125-W128 HydrophobicContact CE1-CH2 3.94Å; F125-W128 AromaticContact CE1-CZ3 3.52Å; F125-W128 HydrophobicContact CE1-CZ3 3.52Å; F125-W128 PolarHBondContact O-N 3.37Å; F125-W128 VanDerWaalsContact O-N 3.14Å; F125-V130 HydrophobicContact CB-CB 4.45Å; F125-V130 VanDerWaalsContact O-CB 3.29Å; F125-V130 WeakPolarHBondContact O-CB 3.4Å; F125-V130 WeakPolarHBondContact O-CG2 3.29Å; F125-V130 PolarHBondContact O-N 3.07Å; F125-V130 VanDerWaalsContact O-N 3.16Å; F125-W134 HydrophobicContact CB-CH2 3.51Å; F125-W134 HydrophobicContact CB-CZ2 4.14Å; F125-W134 HydrophobicContact CB-CZ3 4.25Å; F125-W134 HydrophobicContact CD2-CH2 4.06Å; F125-W134 HydrophobicContact CD2-CZ3 4.18Å; F125-W134 HydrophobicContact CG-CH2 4.27Å
126K93.4Very high94.6Very high99 Ų9941.5 Ų41.543%0.4321%0.205SC..Hα-helixtrans-60.3-41.6171.9-72.2177.3176-177.50112M122 R123 C124 W128 A129 W134M122-K126 HydrophobicContact CG-CD 4.29Å; M122-K126 WeakPolarHBondContact O-CG 3.04Å; M122-K126 PolarHBondContact O-N 3.46Å; R123-K126 PolarHBondContact O-N 3.32Å; C124-K126 PolarHBondContact O-N 3.1Å; K126-W128 PolarHBondContact O-N 3.43Å; K126-A129 WeakPolarHBondContact O-CA 3.14Å; K126-A129 PolarHBondContact O-N 3.49Å; K126-W134 HydrophobicContact CD-CG 4.36Å; K126-W134 VanDerWaalsContact CE-CB 3.4Å; K126-W134 HydrophobicContact CG-CD2 4.13Å; K126-W134 HydrophobicContact CG-CG 4.33Å; K126-W134 HydrophobicContact CG-CZ2 4.22Å
127E91.9Very high94.5Very high41 Ų4136.8 Ų36.819%0.19218%0.183CC..Hα-helixtrans-63.2-27.9176.1-171.8169.3-14100112.5R123 C124 F125 A129 L603 R604 V618R123-E127 WeakPolarHBondContact O-CB 3.42Å; R123-E127 PolarHBondContact O-N 3.13Å; C124-E127 WeakPolarHBondContact O-CB 3.29Å; C124-E127 PolarHBondContact O-N 2.89Å; F125-E127 VanDerWaalsContact C-N 3.33Å; F125-E127 PolarHBondContact O-N 3.03Å; E127-A129 PolarHBondContact O-N 3.33Å; E127-L603 HydrophobicContact CG-CD2 3.93Å; E127-R604 IonicContact OE1-CZ 3.73Å; E127-R604 IonicContact OE1-NH2 3.32Å; E127-R604 PolarHBondContact OE1-NH2 2.82Å; E127-R604 IonicContact OE2-CZ 3.63Å; E127-R604 IonicContact OE2-NH2 3.95Å; E127-R604 PolarHBondContact OE2-NH2 2.72Å; E127-V618 WeakPolarHBondContact O-CG2 3.32Å
128W94.4Very high94.6Very high0 Ų036.6 Ų36.60%018%0.181CC..THydrogen-bonded Turntrans-81.211.6173.6-53.4-20.3000114V49 H53 A54 C124 F125 K126 V130 P599 L621 R622V49-W128 HydrophobicContact CB-CH2 3.71Å; V49-W128 HydrophobicContact CB-CZ2 4.09Å; V49-W128 HydrophobicContact CG1-CH2 4.19Å; V49-W128 HydrophobicContact CG2-CH2 3.7Å; V49-W128 HydrophobicContact CG2-CZ2 3.52Å; H53-W128 HydrophobicContact CB-CH2 4.24Å; H53-W128 HydrophobicContact CB-CZ3 4.3Å; A54-W128 VanDerWaalsContact CA-CZ3 3.44Å; A54-W128 HydrophobicContact CB-CE3 4.14Å; A54-W128 HydrophobicContact CB-CH2 3.99Å; A54-W128 HydrophobicContact CB-CZ2 4.47Å; A54-W128 HydrophobicContact CB-CZ3 3.82Å; C124-W128 HydrophobicContact CB-CZ2 4.14Å; C124-W128 VanDerWaalsContact O-CD1 3.26Å; C124-W128 PolarHBondContact O-N 3.48Å; C124-W128 PolarHBondContact O-NE1 2.96Å; F125-W128 AromaticContact CD1-CE3 3.67Å; F125-W128 HydrophobicContact CD1-CE3 3.67Å; F125-W128 AromaticContact CD1-CH2 3.98Å; F125-W128 HydrophobicContact CD1-CH2 3.98Å; F125-W128 AromaticContact CD1-CZ3 3.33Å; F125-W128 HydrophobicContact CD1-CZ3 3.33Å; F125-W128 HydrophobicContact CE1-CE3 4.32Å; F125-W128 AromaticContact CE1-CH2 3.94Å; F125-W128 HydrophobicContact CE1-CH2 3.94Å; F125-W128 AromaticContact CE1-CZ3 3.52Å; F125-W128 HydrophobicContact CE1-CZ3 3.52Å; F125-W128 PolarHBondContact O-N 3.37Å; F125-W128 VanDerWaalsContact O-N 3.14Å; K126-W128 PolarHBondContact O-N 3.43Å; W128-V130 HydrophobicContact CB-CG2 4.22Å; W128-V130 PolarHBondContact O-N 2.8Å; W128-P599 HydrophobicContact CH2-CB 4.39Å; W128-P599 HydrophobicContact CH2-CG 4.05Å; W128-P599 HydrophobicContact CZ2-CB 3.56Å; W128-P599 HydrophobicContact CZ2-CG 3.61Å; W128-L621 HydrophobicContact CD2-CD2 4.16Å; W128-L621 HydrophobicContact CG-CD2 3.96Å; W128-R622 PolarHBondContact O-NH1 3.41Å; W128-R622 VanDerWaalsContact O-NH1 3.13Å
129A93.8Very high94.6Very high15 Ų1536.2 Ų36.212%0.12418%0.179CC..THydrogen-bonded Turntrans57.334.1-174.900000113.2R65 K126 E127 V618 R622 P765R65-A129 PolarHBondContact NH2-O 3.09Å; K126-A129 WeakPolarHBondContact O-CA 3.14Å; K126-A129 PolarHBondContact O-N 3.49Å; E127-A129 PolarHBondContact O-N 3.33Å; A129-V618 HydrophobicContact CB-CG1 4.02Å; A129-R622 PolarHBondContact O-NH1 3.4Å; A129-P765 HydrophobicContact CB-CG 4.27Å
130V95.9Very high94.6Very high3 Ų330.2 Ų30.22%0.01815%0.151CC..  trans-78123.6171.5178.20000108.7K57 D61 F76 F125 W128 W134K57-V130 HydrophobicContact CB-CG2 4.05Å; D61-V130 HydrophobicContact CB-CB 4.48Å; D61-V130 HydrophobicContact CB-CG1 4.22Å; D61-V130 HydrophobicContact CB-CG2 4.35Å; F76-V130 HydrophobicContact CE1-CG1 4.06Å; F125-V130 HydrophobicContact CB-CB 4.45Å; F125-V130 VanDerWaalsContact O-CB 3.29Å; F125-V130 WeakPolarHBondContact O-CB 3.4Å; F125-V130 WeakPolarHBondContact O-CG2 3.29Å; F125-V130 PolarHBondContact O-N 3.07Å; F125-V130 VanDerWaalsContact O-N 3.16Å; W128-V130 HydrophobicContact CB-CG2 4.22Å; W128-V130 PolarHBondContact O-N 2.8Å; V130-W134 HydrophobicContact CB-CZ2 4.07Å; V130-W134 HydrophobicContact CG1-CH2 4.14Å; V130-W134 HydrophobicContact CG1-CZ2 3.85Å; V130-W134 VanDerWaalsContact O-CZ2 3.3Å; V130-W134 WeakPolarHBondContact O-CZ2 3.45Å; V130-W134 PolarHBondContact O-NE1 2.71Å
131L94.9Very high94.5Very high6 Ų629.3 Ų29.33%0.03114%0.144CC..  trans-81.3155.5170.7-60.7177.9000110.1V19 Y23 D61 V64 R65 I68 F76 L784V19-L131 HydrophobicContact CB-CD2 4.44Å; V19-L131 HydrophobicContact CG1-CD1 4.31Å; V19-L131 HydrophobicContact CG1-CD2 3.9Å; Y23-L131 HydrophobicContact CD2-CB 3.85Å; Y23-L131 HydrophobicContact CD2-CD1 4.26Å; Y23-L131 HydrophobicContact CE2-CB 4.38Å; Y23-L131 HydrophobicContact CG-CB 4.11Å; D61-L131 PolarHBondContact OD1-N 3.49Å; V64-L131 HydrophobicContact CG1-CB 4.46Å; R65-L131 HydrophobicContact CG-CD1 3.86Å; I68-L131 HydrophobicContact CD1-CD1 4.46Å; F76-L131 WeakPolarHBondContact CD1-O 3.33Å; F76-L131 WeakPolarHBondContact CE1-O 3.3Å; L131-L784 HydrophobicContact CD1-CD2 3.9Å
132G94.7Very high94.4Very high0 Ų031.3 Ų31.30%015%0.154CC..SBendtrans168.2163.7177.100000111.1Q20 Y23 W134Q20-G132 PolarHBondContact NE2-O 3.45Å; Y23-G132 WeakPolarHBondContact CE1-O 3.23Å; G132-W134 PolarHBondContact O-N 3.01Å
133D94.3Very high94.3Very high18 Ų1832.8 Ų32.810%0.09617%0.169CC..  trans-77.677173.8-172.7-7.1000109.7Y23 F76 P78 S135 N136 R137Y23-D133 HydrophobicContact CE1-CB 4.36Å; Y23-D133 VanDerWaalsContact CE1-N 3.33Å; F76-D133 PolarHBondContact O-N 3.08Å; P78-D133 WeakPolarHBondContact CD-O 3.18Å; D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 2.89Å; D133-S135 PolarHBondContact OD1-OG 2.91Å; D133-S135 VanDerWaalsContact OD1-OG 3.05Å; D133-N136 CarbonylContact O-C 3.56Å; D133-N136 PolarHBondContact OD1-N 3.12Å; D133-N136 PolarHBondContact OD1-ND2 3.2Å; D133-N136 WeakPolarHBondContact OD2-CB 3.44Å; D133-N136 PolarHBondContact OD2-ND2 3.18Å; D133-R137 PolarHBondContact O-N 2.87Å
134W93.1Very high94.1Very high10 Ų1032.5 Ų32.54%0.03817%0.173CC..  trans-70.9-25.3-176.4-59111.5000113.1Q20 P78 W80 M122 F125 K126 V130 G132Q20-W134 VanDerWaalsContact CD-CD1 3.46Å; Q20-W134 VanDerWaalsContact OE1-CD1 3.26Å; P78-W134 HydrophobicContact CB-CE3 3.99Å; P78-W134 HydrophobicContact CB-CH2 4.37Å; P78-W134 HydrophobicContact CB-CZ3 3.66Å; P78-W134 HydrophobicContact CG-CD2 4.2Å; P78-W134 HydrophobicContact CG-CE3 3.69Å; P78-W134 HydrophobicContact CG-CH2 4.04Å; P78-W134 HydrophobicContact CG-CZ3 3.6Å; W80-W134 HydrophobicContact CH2-CE3 4.18Å; W80-W134 AromaticContact CH2-CZ3 3.89Å; W80-W134 HydrophobicContact CH2-CZ3 3.89Å; M122-W134 HydrophobicContact CG-CD2 4.34Å; M122-W134 HydrophobicContact CG-CE3 3.69Å; M122-W134 HydrophobicContact CG-CZ3 4.13Å; M122-W134 HydrophobicContact SD-CB 4.32Å; M122-W134 HydrophobicContact SD-CE3 4.19Å; F125-W134 HydrophobicContact CB-CH2 3.51Å; F125-W134 HydrophobicContact CB-CZ2 4.14Å; F125-W134 HydrophobicContact CB-CZ3 4.25Å; F125-W134 HydrophobicContact CD2-CH2 4.06Å; F125-W134 HydrophobicContact CD2-CZ3 4.18Å; F125-W134 HydrophobicContact CG-CH2 4.27Å; K126-W134 HydrophobicContact CD-CG 4.36Å; K126-W134 VanDerWaalsContact CE-CB 3.4Å; K126-W134 HydrophobicContact CG-CD2 4.13Å; K126-W134 HydrophobicContact CG-CG 4.33Å; K126-W134 HydrophobicContact CG-CZ2 4.22Å; V130-W134 HydrophobicContact CB-CZ2 4.07Å; V130-W134 HydrophobicContact CG1-CH2 4.14Å; V130-W134 HydrophobicContact CG1-CZ2 3.85Å; V130-W134 VanDerWaalsContact O-CZ2 3.3Å; V130-W134 WeakPolarHBondContact O-CZ2 3.45Å; V130-W134 PolarHBondContact O-NE1 2.71Å; G132-W134 PolarHBondContact O-N 3.01Å
135S91.1Very high94.1Very high84 Ų8432.5 Ų32.559%0.58717%0.172SC*.THydrogen-bonded Turntrans-75.1-35.7179.458.90000111D133D133-S135 VanDerWaalsContact C-N 3.29Å; D133-S135 PolarHBondContact O-N 2.89Å; D133-S135 PolarHBondContact OD1-OG 2.91Å; D133-S135 VanDerWaalsContact OD1-OG 3.05Å
136N92.2Very high94Very high85 Ų8532.9 Ų32.946%0.45517%0.173SC..THydrogen-bonded Turntrans-105.342.3174.7-51.2-60.7000112.8R77 D133R77-N136 WeakPolarHBondContact CD-O 3.11Å; R77-N136 VanDerWaalsContact CG-O 3.26Å; R77-N136 WeakPolarHBondContact CG-O 3.39Å; R77-N136 VanDerWaalsContact CZ-O 3.26Å; R77-N136 PolarHBondContact NE-O 3.07Å; R77-N136 PolarHBondContact NH2-O 3.06Å; D133-N136 CarbonylContact O-C 3.56Å; D133-N136 PolarHBondContact OD1-N 3.12Å; D133-N136 PolarHBondContact OD1-ND2 3.2Å; D133-N136 WeakPolarHBondContact OD2-CB 3.44Å; D133-N136 PolarHBondContact OD2-ND2 3.18Å
137R94.6Very high94.1Very high57 Ų5728.3 Ų28.322%0.21515%0.154CC..  trans-54.1159.8172.666.894.3-169-156.113.1112.8R77 P78 W80 D133 D142R77-R137 PolarHBondContact NH2-O 3.4Å; R77-R137 VanDerWaalsContact NH2-O 3.15Å; P78-R137 WeakPolarHBondContact O-CA 3.43Å; W80-R137 HydrophobicContact CE3-CB 4.2Å; W80-R137 HydrophobicContact CZ3-CB 3.63Å; W80-R137 HydrophobicContact CZ3-CG 4.22Å; D133-R137 PolarHBondContact O-N 2.87Å; R137-D142 IonicContact NH2-OD1 2.85Å; R137-D142 PolarHBondContact NH2-OD1 2.96Å
138Y95.7Very high94.1Very high3 Ų327.6 Ų27.61%0.01215%0.152CC..EExtended strand (participates in β ladder)trans-113143.716778.4-91.6000111.8D40 P42 R77 P78 G79 W80 Y145 A530 A533 I534D40-Y138 PolarHBondContact O-OH 2.9Å; P42-Y138 HydrophobicContact CB-CE2 4.12Å; P42-Y138 WeakPolarHBondContact CB-OH 3.45Å; P42-Y138 VanDerWaalsContact CD-OH 3.3Å; P42-Y138 WeakPolarHBondContact CD-OH 3.37Å; P42-Y138 HydrophobicContact CG-CE2 4.31Å; P42-Y138 WeakPolarHBondContact CG-OH 3.24Å; R77-Y138 HydrophobicContact CG-CD1 4.29Å; P78-Y138 PolarHBondContact O-N 3.1Å; G79-Y138 CarbonylContact C-O 3.51Å; G79-Y138 VanDerWaalsContact CA-CD1 3.47Å; G79-Y138 VanDerWaalsContact CA-O 3.31Å; G79-Y138 WeakPolarHBondContact CA-O 3.42Å; W80-Y138 PolarHBondContact N-O 3.49Å; Y138-Y145 HydrophobicContact CD2-CD2 4.27Å; Y138-Y145 HydrophobicContact CD2-CE2 4.02Å; Y138-Y145 HydrophobicContact CE2-CE2 4.3Å; Y138-A530 HydrophobicContact CE2-CB 4.2Å; Y138-A530 WeakPolarHBondContact OH-CB 3.21Å; Y138-A533 HydrophobicContact CD1-CB 4.14Å; Y138-A533 HydrophobicContact CD2-CB 4.1Å; Y138-A533 HydrophobicContact CG-CB 3.83Å; Y138-I534 HydrophobicContact CE1-CD1 4.11Å; Y138-I534 HydrophobicContact CE1-CG1 4.41Å
139A96.5Very high94.1Very high0 Ų027.6 Ų27.60%015%0.152CC..EExtended strand (participates in β ladder)trans-129.8147.2163.900000110.5W80 I118 F141 D142W80-A139 HydrophobicContact CB-CB 4.45Å; W80-A139 WeakPolarHBondContact O-CA 3.39Å; I118-A139 HydrophobicContact CD1-CB 4.48Å; A139-F141 HydrophobicContact CB-CD1 4.43Å; A139-F141 HydrophobicContact CB-CD2 4.43Å; A139-F141 HydrophobicContact CB-CE1 4.28Å; A139-F141 HydrophobicContact CB-CE2 4.28Å; A139-F141 HydrophobicContact CB-CG 4.48Å; A139-F141 HydrophobicContact CB-CZ 4.19Å; A139-F141 PolarHBondContact O-N 2.91Å; A139-F141 VanDerWaalsContact O-N 3.15Å; A139-D142 PolarHBondContact N-OD2 2.76Å; A139-D142 VanDerWaalsContact O-CB 3.26Å; A139-D142 WeakPolarHBondContact O-CB 3.49Å; A139-D142 PolarHBondContact O-N 3.14Å
140T95.6Very high94.2Very high0 Ų026.9 Ų26.90%015%0.146CC..THydrogen-bonded Turntrans-63.1-23.1-178.6600000113.5W80 C82 H83 D142 Y145 K146 D526W80-T140 PolarHBondContact O-N 3.36Å; W80-T140 VanDerWaalsContact O-N 3.16Å; C82-T140 PolarHBondContact N-OG1 3.24Å; H83-T140 PolarHBondContact CE1-O 3.32Å; H83-T140 PolarHBondContact ND1-OG1 2.76Å; T140-D142 VanDerWaalsContact C-N 3.33Å; T140-D142 PolarHBondContact O-N 3.31Å; T140-Y145 HydrophobicContact CG2-CD1 4.46Å; T140-Y145 HydrophobicContact CG2-CE1 3.9Å; T140-K146 WeakPolarHBondContact O-CG 3.41Å; T140-D526 WeakPolarHBondContact CB-OD1 3.38Å; T140-D526 VanDerWaalsContact CB-OD2 3.27Å; T140-D526 WeakPolarHBondContact CB-OD2 3.41Å; T140-D526 PolarHBondContact OG1-OD2 2.7Å
141F94.6Very high94.2Very high6 Ų631.6 Ų31.63%0.02616%0.164CC..THydrogen-bonded Turntrans-80.4-7.6173.868.6-125.1000114.7C82 A114 E115 I118 A139 K146C82-F141 HydrophobicContact CB-CB 4.39Å; C82-F141 HydrophobicContact CB-CD1 3.37Å; C82-F141 HydrophobicContact CB-CE1 4Å; C82-F141 HydrophobicContact CB-CG 4.26Å; C82-F141 WeakPolarHBondContact SG-CD1 3.43Å; C82-F141 VanDerWaalsContact SG-CE1 3.52Å; A114-F141 HydrophobicContact CB-CD1 4.47Å; A114-F141 HydrophobicContact CB-CE1 4.02Å; E115-F141 HydrophobicContact CG-CE1 4.33Å; E115-F141 HydrophobicContact CG-CZ 3.79Å; I118-F141 HydrophobicContact CD1-CE1 3.8Å; I118-F141 HydrophobicContact CD1-CZ 3.94Å; A139-F141 HydrophobicContact CB-CD1 4.43Å; A139-F141 HydrophobicContact CB-CD2 4.43Å; A139-F141 HydrophobicContact CB-CE1 4.28Å; A139-F141 HydrophobicContact CB-CE2 4.28Å; A139-F141 HydrophobicContact CB-CG 4.48Å; A139-F141 HydrophobicContact CB-CZ 4.19Å; A139-F141 PolarHBondContact O-N 2.91Å; A139-F141 VanDerWaalsContact O-N 3.15Å; F141-K146 WeakPolarHBondContact O-CE 3.4Å; F141-K146 PolarHBondContact O-NZ 2.9Å
142D94.5Very high94.2Very high41 Ų4131.7 Ų31.722%0.21916%0.164CC..SBendtrans-65140.8-176.7-69.5-27.3000110.1R137 A139 T140 H144 Y145 K146R137-D142 IonicContact NH2-OD1 2.85Å; R137-D142 PolarHBondContact NH2-OD1 2.96Å; A139-D142 PolarHBondContact N-OD2 2.76Å; A139-D142 VanDerWaalsContact O-CB 3.26Å; A139-D142 WeakPolarHBondContact O-CB 3.49Å; A139-D142 PolarHBondContact O-N 3.14Å; T140-D142 VanDerWaalsContact C-N 3.33Å; T140-D142 PolarHBondContact O-N 3.31Å; D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 2.99Å; D142-Y145 WeakPolarHBondContact O-CB 3.3Å; D142-Y145 PolarHBondContact O-N 3.27Å; D142-K146 PolarHBondContact O-N 3.12Å; D142-K146 VanDerWaalsContact O-N 3.08Å
143S93.3Very high94.2Very high73 Ų7331.7 Ų31.751%0.5116%0.164SC..Hα-helixtrans-57-40-172.8-620000113.5S147 W493S143-S147 PolarHBondContact O-N 3.42Å; S143-S147 PolarHBondContact O-OG 2.6Å; S143-W493 WeakPolarHBondContact O-CZ2 3.29Å; S143-W493 PolarHBondContact OG-NE1 3.29Å
144H91.4Very high94.3Very high131 Ų13132.7 Ų32.761%0.60617%0.167SC*.Hα-helixtrans-69.8-33.4178.4-177.162.2000112.9D142 S147 T148D142-H144 VanDerWaalsContact C-N 3.29Å; D142-H144 PolarHBondContact O-N 2.99Å; H144-S147 PolarHBondContact O-OG 2.74Å; H144-S147 VanDerWaalsContact O-OG 3.14Å; H144-T148 WeakPolarHBondContact O-CB 3.45Å; H144-T148 PolarHBondContact O-N 3.43Å; H144-T148 VanDerWaalsContact O-N 3.17Å; H144-T148 PolarHBondContact O-OG1 3.16Å
145Y94.4Very high94.4Very high11 Ų1134 Ų344%0.04318%0.181CC..Hα-helixtrans-65.1-51.4176-165-83000110.1Y138 T140 D142 S147 T148 E149 D526 A530 A533Y138-Y145 HydrophobicContact CD2-CD2 4.27Å; Y138-Y145 HydrophobicContact CD2-CE2 4.02Å; Y138-Y145 HydrophobicContact CE2-CE2 4.3Å; T140-Y145 HydrophobicContact CG2-CD1 4.46Å; T140-Y145 HydrophobicContact CG2-CE1 3.9Å; D142-Y145 WeakPolarHBondContact O-CB 3.3Å; D142-Y145 PolarHBondContact O-N 3.27Å; Y145-S147 PolarHBondContact O-N 2.96Å; Y145-T148 WeakPolarHBondContact O-CA 3.33Å; Y145-T148 WeakPolarHBondContact O-CB 3.43Å; Y145-T148 PolarHBondContact O-N 3.48Å; Y145-T148 VanDerWaalsContact O-N 3.08Å; Y145-E149 PolarHBondContact O-N 3.24Å; Y145-D526 WeakPolarHBondContact CE1-OD1 3.4Å; Y145-D526 PolarHBondContact OH-O 2.96Å; Y145-A530 WeakPolarHBondContact OH-CA 3.34Å; Y145-A530 PolarHBondContact OH-N 2.96Å; Y145-A533 HydrophobicContact CD2-CB 4.11Å; Y145-A533 HydrophobicContact CE2-CB 4.02Å
146K94.6Very high94.6Very high7 Ų730.3 Ų30.33%0.0315%0.154CC..Hα-helixtrans-63.1-38.7179.5-60.6-179.3-65.4-163.40112.7T140 F141 D142 T148 E149 L150 T461 W493T140-K146 WeakPolarHBondContact O-CG 3.41Å; F141-K146 WeakPolarHBondContact O-CE 3.4Å; F141-K146 PolarHBondContact O-NZ 2.9Å; D142-K146 PolarHBondContact O-N 3.12Å; D142-K146 VanDerWaalsContact O-N 3.08Å; K146-T148 VanDerWaalsContact C-N 3.25Å; K146-T148 PolarHBondContact O-N 2.87Å; K146-E149 WeakPolarHBondContact O-CB 3.5Å; K146-E149 PolarHBondContact O-N 3.44Å; K146-L150 VanDerWaalsContact O-CD1 3.24Å; K146-L150 WeakPolarHBondContact O-CD1 3.31Å; K146-L150 PolarHBondContact O-N 3.15Å; K146-T461 HydrophobicContact CB-CG2 4.15Å; K146-T461 HydrophobicContact CG-CG2 4.31Å; K146-T461 WeakPolarHBondContact CG-OG1 2.98Å; K146-W493 HydrophobicContact CB-CD2 4.14Å; K146-W493 HydrophobicContact CB-CE3 3.96Å; K146-W493 HydrophobicContact CB-CH2 3.23Å; K146-W493 HydrophobicContact CB-CZ2 3.42Å; K146-W493 VanDerWaalsContact CB-CZ2 3.42Å; K146-W493 HydrophobicContact CB-CZ3 3.52Å; K146-W493 HydrophobicContact CD-CD2 3.89Å; K146-W493 HydrophobicContact CD-CE3 3.87Å; K146-W493 HydrophobicContact CD-CG 4.32Å; K146-W493 HydrophobicContact CD-CZ3 4.26Å; K146-W493 VanDerWaalsContact CE-CE2 3.44Å; K146-W493 HydrophobicContact CG-CZ3 4.47Å; K146-W493 VanDerWaalsContact NZ-CD1 3.33Å
147S93.6Very high94.7Very high4 Ų430 Ų303%0.02815%0.147CC..Hα-helixtrans-65.5-32.4175.866.80000112S143 H144 Y145 R151S143-S147 PolarHBondContact O-N 3.42Å; S143-S147 PolarHBondContact O-OG 2.6Å; H144-S147 PolarHBondContact O-OG 2.74Å; H144-S147 VanDerWaalsContact O-OG 3.14Å; Y145-S147 PolarHBondContact O-N 2.96Å; S147-R151 WeakPolarHBondContact O-CG 3.46Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.09Å; S147-R151 PolarHBondContact OG-NH2 3.42Å
148T93.2Very high94.8Very high25 Ų2532.7 Ų32.715%0.15316%0.162CC..Hα-helixtrans-70.3-39.5173.6-58.40000111.8H144 Y145 K146 R151 F152 T532H144-T148 WeakPolarHBondContact O-CB 3.45Å; H144-T148 PolarHBondContact O-N 3.43Å; H144-T148 VanDerWaalsContact O-N 3.17Å; H144-T148 PolarHBondContact O-OG1 3.16Å; Y145-T148 WeakPolarHBondContact O-CA 3.33Å; Y145-T148 WeakPolarHBondContact O-CB 3.43Å; Y145-T148 PolarHBondContact O-N 3.48Å; Y145-T148 VanDerWaalsContact O-N 3.08Å; K146-T148 VanDerWaalsContact C-N 3.25Å; K146-T148 PolarHBondContact O-N 2.87Å; T148-R151 PolarHBondContact O-N 2.9Å; T148-R151 PolarHBondContact OG1-NH2 3.04Å; T148-F152 WeakPolarHBondContact O-CB 3.33Å; T148-F152 PolarHBondContact O-N 3.44Å; T148-T532 HydrophobicContact CG2-CG2 4.16Å
149E95.1Very high94.7Very high0 Ų035.7 Ų35.70%018%0.184CC..Hα-helixtrans-59.9-44.1172.9-174.9176.4-162.600112.3Y145 K146 F152 F153 T461 F521 F525 D526 L529Y145-E149 PolarHBondContact O-N 3.24Å; K146-E149 WeakPolarHBondContact O-CB 3.5Å; K146-E149 PolarHBondContact O-N 3.44Å; E149-F152 PolarHBondContact O-N 3.46Å; E149-F153 PolarHBondContact O-N 2.98Å; E149-T461 WeakPolarHBondContact OE2-CB 3.31Å; E149-T461 WeakPolarHBondContact OE2-CG2 3.34Å; E149-T461 PolarHBondContact OE2-OG1 3.1Å; E149-F521 HydrophobicContact CG-CD2 3.87Å; E149-F521 HydrophobicContact CG-CE2 4.08Å; E149-F521 VanDerWaalsContact OE1-CB 3.25Å; E149-F521 WeakPolarHBondContact OE1-CB 3.35Å; E149-F521 WeakPolarHBondContact OE1-CD2 3.33Å; E149-F521 WeakPolarHBondContact OE1-CG 3.45Å; E149-F525 HydrophobicContact CG-CD1 4.4Å; E149-F525 HydrophobicContact CG-CE1 4.06Å; E149-D526 WeakPolarHBondContact OE1-CA 3.31Å; E149-D526 WeakPolarHBondContact OE1-CB 3.38Å; E149-L529 HydrophobicContact CB-CD1 3.86Å; E149-L529 HydrophobicContact CG-CD1 3.81Å
150L95.8Very high94.6Very high1 Ų137.7 Ų37.71%0.00520%0.204CC..Hα-helixtrans-63.8-44.5176-90.462.3000112.2K146 F152 F153 K154 T461 P464 I481 V484 M485 W493 F521K146-L150 VanDerWaalsContact O-CD1 3.24Å; K146-L150 WeakPolarHBondContact O-CD1 3.31Å; K146-L150 PolarHBondContact O-N 3.15Å; L150-F152 VanDerWaalsContact C-N 3.28Å; L150-F152 PolarHBondContact O-N 3.48Å; L150-F153 PolarHBondContact O-N 3.33Å; L150-K154 PolarHBondContact O-N 2.98Å; L150-T461 HydrophobicContact CD1-CG2 3.43Å; L150-T461 VanDerWaalsContact CD1-CG2 3.43Å; L150-P464 HydrophobicContact CD2-CB 3.93Å; L150-P464 HydrophobicContact CD2-CG 4.28Å; L150-P464 HydrophobicContact CG-CB 4.1Å; L150-P464 HydrophobicContact CG-CG 3.89Å; L150-I481 HydrophobicContact CB-CG2 4.38Å; L150-V484 HydrophobicContact CD2-CG1 4.28Å; L150-M485 HydrophobicContact CB-CG 3.89Å; L150-M485 HydrophobicContact CB-SD 3.97Å; L150-M485 HydrophobicContact CD2-CG 3.67Å; L150-M485 HydrophobicContact CG-CG 4.43Å; L150-W493 HydrophobicContact CD1-CH2 4Å; L150-W493 HydrophobicContact CD1-CZ3 3.88Å; L150-W493 HydrophobicContact CD2-CH2 3.93Å; L150-W493 HydrophobicContact CD2-CZ3 4Å; L150-F521 HydrophobicContact CD1-CE2 4.21Å
151R94.2Very high94.6Very high101 Ų10138.1 Ų38.138%0.38121%0.207SC..Hα-helixtrans-59.7-40.8174-76.1-174.5-76.8-93.2-7.1111.9S147 T148 K154 A155 M485S147-R151 WeakPolarHBondContact O-CG 3.46Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.09Å; S147-R151 PolarHBondContact OG-NH2 3.42Å; T148-R151 PolarHBondContact O-N 2.9Å; T148-R151 PolarHBondContact OG1-NH2 3.04Å; R151-K154 PolarHBondContact O-N 3.37Å; R151-A155 WeakPolarHBondContact O-CB 3.22Å; R151-A155 PolarHBondContact O-N 3.19Å; R151-M485 HydrophobicContact CG-CE 3.45Å; R151-M485 VanDerWaalsContact CG-CE 3.45Å; R151-M485 HydrophobicContact CG-SD 3.79Å; R151-M485 VanDerWaalsContact NH1-CE 3.27Å
152F94.7Very high94.6Very high9 Ų938 Ų384%0.03921%0.206CC..Hα-helixtrans-66.7-44.5178.4179.9-103.5000111.7T148 E149 L150 K154 A155 L156 F525 L529 T562 A565 N566T148-F152 WeakPolarHBondContact O-CB 3.33Å; T148-F152 PolarHBondContact O-N 3.44Å; E149-F152 PolarHBondContact O-N 3.46Å; L150-F152 VanDerWaalsContact C-N 3.28Å; L150-F152 PolarHBondContact O-N 3.48Å; F152-K154 VanDerWaalsContact C-N 3.33Å; F152-K154 PolarHBondContact O-N 2.72Å; F152-A155 PolarHBondContact O-N 2.95Å; F152-L156 HydrophobicContact CD1-CD1 4.27Å; F152-L156 HydrophobicContact CD1-CG 4.4Å; F152-L156 HydrophobicContact CD2-CG 4.46Å; F152-L156 HydrophobicContact CE1-CD1 3.45Å; F152-L156 VanDerWaalsContact CE1-CD1 3.45Å; F152-L156 HydrophobicContact CE1-CG 3.96Å; F152-L156 HydrophobicContact CE2-CD1 4.1Å; F152-L156 HydrophobicContact CE2-CD2 4.01Å; F152-L156 HydrophobicContact CE2-CG 3.96Å; F152-L156 HydrophobicContact CZ-CD1 3.35Å; F152-L156 HydrophobicContact CZ-CD2 4.07Å; F152-L156 HydrophobicContact CZ-CG 3.73Å; F152-L156 WeakPolarHBondContact O-CG 3.47Å; F152-L156 PolarHBondContact O-N 3.44Å; F152-F525 HydrophobicContact CD1-CE1 4.34Å; F152-F525 HydrophobicContact CD1-CE2 4.05Å; F152-F525 AromaticContact CD1-CZ 3.57Å; F152-F525 HydrophobicContact CD1-CZ 3.57Å; F152-F525 AromaticContact CE1-CE2 3.65Å; F152-F525 HydrophobicContact CE1-CE2 3.65Å; F152-F525 AromaticContact CE1-CZ 3.68Å; F152-F525 HydrophobicContact CE1-CZ 3.68Å; F152-L529 HydrophobicContact CB-CD1 4.13Å; F152-L529 HydrophobicContact CB-CD2 4.39Å; F152-L529 HydrophobicContact CD1-CD1 3.83Å; F152-L529 HydrophobicContact CD1-CD2 3.58Å; F152-L529 HydrophobicContact CD1-CG 4.23Å; F152-L529 HydrophobicContact CD2-CD2 4.07Å; F152-L529 HydrophobicContact CE1-CD2 3.73Å; F152-L529 HydrophobicContact CE2-CD2 4.24Å; F152-L529 HydrophobicContact CG-CD1 4.15Å; F152-L529 HydrophobicContact CG-CD2 3.73Å; F152-L529 HydrophobicContact CZ-CD2 4.05Å; F152-T562 HydrophobicContact CE1-CG2 3.94Å; F152-T562 HydrophobicContact CZ-CG2 4.02Å; F152-A565 HydrophobicContact CZ-CB 4.42Å; F152-N566 HydrophobicContact CD2-CB 4.43Å; F152-N566 HydrophobicContact CE2-CB 3.91Å
153F96.3Very high94.7Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-56.6-46.7173.8177.6-98.9000111.7E149 L150 L156 Y157 I162 W412 I453 I463 P464 V465 V477 I481 F521E149-F153 PolarHBondContact O-N 2.98Å; L150-F153 PolarHBondContact O-N 3.33Å; F153-L156 PolarHBondContact O-N 2.9Å; F153-Y157 WeakPolarHBondContact O-CB 3.33Å; F153-Y157 PolarHBondContact O-N 3.31Å; F153-I162 HydrophobicContact CD2-CD1 3.55Å; F153-I162 HydrophobicContact CD2-CG2 4.18Å; F153-I162 HydrophobicContact CE2-CD1 3.98Å; F153-I162 HydrophobicContact CE2-CG2 3.56Å; F153-I162 HydrophobicContact CG-CD1 4.4Å; F153-I162 HydrophobicContact CZ-CG2 4.06Å; F153-W412 HydrophobicContact CE2-CD2 4.38Å; F153-W412 HydrophobicContact CE2-CE3 4.08Å; F153-W412 HydrophobicContact CE2-CZ3 4.48Å; F153-W412 HydrophobicContact CZ-CD2 4.11Å; F153-W412 AromaticContact CZ-CE3 3.8Å; F153-W412 HydrophobicContact CZ-CE3 3.8Å; F153-W412 HydrophobicContact CZ-CH2 4.18Å; F153-W412 HydrophobicContact CZ-CZ2 4.5Å; F153-W412 AromaticContact CZ-CZ3 3.83Å; F153-W412 HydrophobicContact CZ-CZ3 3.83Å; F153-I453 HydrophobicContact CD2-CD1 4.21Å; F153-I453 HydrophobicContact CE2-CD1 4.11Å; F153-I463 HydrophobicContact CE1-CG2 4.45Å; F153-I463 HydrophobicContact CE2-CG2 4.42Å; F153-I463 HydrophobicContact CZ-CG2 4.01Å; F153-P464 HydrophobicContact CD1-CG 4.1Å; F153-P464 HydrophobicContact CE1-CG 4.41Å; F153-V465 HydrophobicContact CE1-CG2 3.94Å; F153-V465 HydrophobicContact CZ-CG2 4.19Å; F153-V477 HydrophobicContact CE1-CG1 4.29Å; F153-I481 HydrophobicContact CD1-CD1 3.64Å; F153-I481 HydrophobicContact CE1-CD1 3.91Å; F153-F521 HydrophobicContact CB-CE1 4.29Å; F153-F521 HydrophobicContact CB-CZ 3.75Å; F153-F521 HydrophobicContact CD1-CZ 4.23Å; F153-F521 AromaticContact CD2-CE1 3.32Å; F153-F521 HydrophobicContact CD2-CE1 3.32Å; F153-F521 AromaticContact CD2-CZ 3.53Å; F153-F521 HydrophobicContact CD2-CZ 3.53Å; F153-F521 AromaticContact CE2-CE1 3.73Å; F153-F521 HydrophobicContact CE2-CE1 3.73Å; F153-F521 HydrophobicContact CE2-CZ 4.14Å; F153-F521 AromaticContact CG-CE1 3.89Å; F153-F521 HydrophobicContact CG-CE1 3.89Å; F153-F521 AromaticContact CG-CZ 3.57Å; F153-F521 HydrophobicContact CG-CZ 3.57Å
154K96.2Very high94.8Very high38 Ų3837.6 Ų37.617%0.16519%0.192CC..Hα-helixtrans-56.3-52.3174.8-174.8-174.2175-167.80111.9L150 R151 F152 L156 Y157 E158 I481 D482L150-K154 PolarHBondContact O-N 2.98Å; R151-K154 PolarHBondContact O-N 3.37Å; F152-K154 VanDerWaalsContact C-N 3.33Å; F152-K154 PolarHBondContact O-N 2.72Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 3.2Å; K154-Y157 WeakPolarHBondContact O-CB 3.44Å; K154-Y157 PolarHBondContact O-N 2.92Å; K154-Y157 VanDerWaalsContact O-N 3.15Å; K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 HydrophobicContact CG-CG 4.49Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.77Å; K154-I481 HydrophobicContact CB-CB 4.5Å; K154-I481 HydrophobicContact CB-CD1 3.77Å; K154-I481 HydrophobicContact CB-CG2 4.07Å; K154-I481 HydrophobicContact CD-CG2 4.39Å; K154-I481 HydrophobicContact CG-CD1 4.12Å; K154-D482 IonicContact NZ-OD1 3.22Å; K154-D482 PolarHBondContact NZ-OD1 2.93Å; K154-D482 IonicContact NZ-OD2 3.46Å; K154-D482 PolarHBondContact NZ-OD2 2.8Å
155A94.7Very high94.9Very high39 Ų3932.4 Ų32.432%0.32217%0.172SC..Hα-helixtrans-59.6-40.6-177.900000112.1R151 F152 S159R151-A155 WeakPolarHBondContact O-CB 3.22Å; R151-A155 PolarHBondContact O-N 3.19Å; F152-A155 PolarHBondContact O-N 2.95Å; A155-S159 WeakPolarHBondContact O-CB 3.35Å; A155-S159 PolarHBondContact O-N 3.23Å; A155-S159 VanDerWaalsContact O-N 3.08Å; A155-S159 PolarHBondContact O-OG 3.35Å
156L95.3Very high94.9Very high5 Ų535.1 Ų35.13%0.02618%0.184CC..Hα-helixtrans-71.2-36.7177-67.9-158.3000112.9F152 F153 K154 S159 G160 L161 I162 A565F152-L156 HydrophobicContact CD1-CD1 4.27Å; F152-L156 HydrophobicContact CD1-CG 4.4Å; F152-L156 HydrophobicContact CD2-CG 4.46Å; F152-L156 HydrophobicContact CE1-CD1 3.45Å; F152-L156 VanDerWaalsContact CE1-CD1 3.45Å; F152-L156 HydrophobicContact CE1-CG 3.96Å; F152-L156 HydrophobicContact CE2-CD1 4.1Å; F152-L156 HydrophobicContact CE2-CD2 4.01Å; F152-L156 HydrophobicContact CE2-CG 3.96Å; F152-L156 HydrophobicContact CZ-CD1 3.35Å; F152-L156 HydrophobicContact CZ-CD2 4.07Å; F152-L156 HydrophobicContact CZ-CG 3.73Å; F152-L156 WeakPolarHBondContact O-CG 3.47Å; F152-L156 PolarHBondContact O-N 3.44Å; F153-L156 PolarHBondContact O-N 2.9Å; K154-L156 VanDerWaalsContact C-N 3.29Å; K154-L156 PolarHBondContact O-N 3.2Å; L156-S159 WeakPolarHBondContact CA-OG 3.47Å; L156-S159 PolarHBondContact O-N 2.97Å; L156-S159 PolarHBondContact O-OG 2.5Å; L156-G160 PolarHBondContact O-N 2.94Å; L156-L161 HydrophobicContact CB-CB 4.38Å; L156-L161 HydrophobicContact CD2-CD1 4.02Å; L156-L161 PolarHBondContact O-N 2.94Å; L156-I162 HydrophobicContact CB-CB 4.28Å; L156-I162 HydrophobicContact CB-CD1 3.53Å; L156-I162 HydrophobicContact CB-CG1 3.69Å; L156-I162 HydrophobicContact CD1-CD1 3.92Å; L156-I162 HydrophobicContact CD1-CG1 4.17Å; L156-I162 HydrophobicContact CG-CD1 4.29Å; L156-I162 PolarHBondContact O-N 3.39Å; L156-A565 HydrophobicContact CD1-CB 4.08Å; L156-A565 HydrophobicContact CD2-CB 3.57Å; L156-A565 HydrophobicContact CG-CB 4.49Å
157Y95.4Very high94.8Very high79 Ų7937.5 Ų37.531%0.3119%0.194SC..Hα-helixtrans-61.2-48.3173.4177.2-96.6000111.3F153 K154 S159 G160 W412 V477F153-Y157 WeakPolarHBondContact O-CB 3.33Å; F153-Y157 PolarHBondContact O-N 3.31Å; K154-Y157 WeakPolarHBondContact O-CB 3.44Å; K154-Y157 PolarHBondContact O-N 2.92Å; K154-Y157 VanDerWaalsContact O-N 3.15Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.1Å; Y157-G160 PolarHBondContact O-N 2.83Å; Y157-W412 HydrophobicContact CD2-CH2 4.45Å; Y157-W412 AromaticContact CD2-CZ3 3.96Å; Y157-W412 HydrophobicContact CD2-CZ3 3.96Å; Y157-W412 HydrophobicContact CE2-CH2 4.29Å; Y157-W412 HydrophobicContact CE2-CZ3 4.13Å; Y157-V477 HydrophobicContact CD1-CB 3.96Å; Y157-V477 HydrophobicContact CD1-CG1 3.68Å; Y157-V477 HydrophobicContact CD2-CG1 4.14Å; Y157-V477 HydrophobicContact CE1-CB 3.52Å; Y157-V477 HydrophobicContact CE1-CG1 3.78Å; Y157-V477 HydrophobicContact CE1-CG2 4.1Å; Y157-V477 HydrophobicContact CE2-CB 4.25Å; Y157-V477 HydrophobicContact CE2-CG1 4.19Å; Y157-V477 HydrophobicContact CE2-CG2 4.07Å; Y157-V477 HydrophobicContact CG-CG1 3.87Å
158E95.4Very high94.9Very high114 Ų11437.9 Ų37.953%0.53320%0.197SC..Hα-helixtrans-63.1-32.3178.4-71.3176.9164.900112.8K154 G160 S478K154-E158 WeakPolarHBondContact CE-OE1 3.4Å; K154-E158 HydrophobicContact CG-CG 4.49Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 2.77Å; E158-G160 PolarHBondContact O-N 3.02Å; E158-S478 VanDerWaalsContact CG-OG 3.23Å; E158-S478 WeakPolarHBondContact CG-OG 3.37Å; E158-S478 WeakPolarHBondContact OE1-CB 3.06Å; E158-S478 PolarHBondContact OE1-OG 3.35Å
159S94Very high94.9Very high66 Ų6637.1 Ų37.146%0.46219%0.192SC..THydrogen-bonded Turntrans-76.7-3.7173.873.40000114.7A155 L156 Y157 L161A155-S159 WeakPolarHBondContact O-CB 3.35Å; A155-S159 PolarHBondContact O-N 3.23Å; A155-S159 VanDerWaalsContact O-N 3.08Å; A155-S159 PolarHBondContact O-OG 3.35Å; L156-S159 WeakPolarHBondContact CA-OG 3.47Å; L156-S159 PolarHBondContact O-N 2.97Å; L156-S159 PolarHBondContact O-OG 2.5Å; Y157-S159 VanDerWaalsContact C-N 3.27Å; Y157-S159 PolarHBondContact O-N 3.1Å; S159-L161 VanDerWaalsContact C-N 3.25Å; S159-L161 PolarHBondContact O-N 3.22Å; S159-L161 WeakPolarHBondContact OG-CD1 3.29Å; S159-L161 WeakPolarHBondContact OG-CG 3.49Å
160G94.1Very high94.9Very high42 Ų4238.9 Ų38.943%0.43320%0.199SC..THydrogen-bonded Turntrans74.58.9-175.800000114.9L156 Y157 E158L156-G160 PolarHBondContact O-N 2.94Å; Y157-G160 PolarHBondContact O-N 2.83Å; E158-G160 PolarHBondContact O-N 3.02Å
161L95.3Very high94.9Very high9 Ų939.1 Ų39.15%0.04720%0.2CC..SBendtrans-82-24.2178.7-74.6171.4000113L156 S159 V414 H415 Q418 L419 A565L156-L161 HydrophobicContact CB-CB 4.38Å; L156-L161 HydrophobicContact CD2-CD1 4.02Å; L156-L161 PolarHBondContact O-N 2.94Å; S159-L161 VanDerWaalsContact C-N 3.25Å; S159-L161 PolarHBondContact O-N 3.22Å; S159-L161 WeakPolarHBondContact OG-CD1 3.29Å; S159-L161 WeakPolarHBondContact OG-CG 3.49Å; L161-V414 CarbonylContact O-C 3.51Å; L161-V414 WeakPolarHBondContact O-CA 3.35Å; L161-H415 PolarHBondContact O-N 3.45Å; L161-Q418 HydrophobicContact CD2-CB 3.94Å; L161-L419 HydrophobicContact CD1-CD2 3.86Å; L161-L419 HydrophobicContact CD2-CD1 4.44Å; L161-L419 HydrophobicContact CD2-CD2 3.87Å; L161-L419 HydrophobicContact CD2-CG 3.96Å; L161-A565 HydrophobicContact CD1-CB 4.13Å
162I95.8Very high94.9Very high3 Ų334.3 Ų34.32%0.01518%0.182CC..EExtended strand (participates in β ladder)trans-109.6133.7172.9-75.6179.3000109.7F153 L156 W412 F413 V414 I453 F525F153-I162 HydrophobicContact CD2-CD1 3.55Å; F153-I162 HydrophobicContact CD2-CG2 4.18Å; F153-I162 HydrophobicContact CE2-CD1 3.98Å; F153-I162 HydrophobicContact CE2-CG2 3.56Å; F153-I162 HydrophobicContact CG-CD1 4.4Å; F153-I162 HydrophobicContact CZ-CG2 4.06Å; L156-I162 HydrophobicContact CB-CB 4.28Å; L156-I162 HydrophobicContact CB-CD1 3.53Å; L156-I162 HydrophobicContact CB-CG1 3.69Å; L156-I162 HydrophobicContact CD1-CD1 3.92Å; L156-I162 HydrophobicContact CD1-CG1 4.17Å; L156-I162 HydrophobicContact CG-CD1 4.29Å; L156-I162 PolarHBondContact O-N 3.39Å; I162-W412 HydrophobicContact CG2-CE3 3.54Å; I162-W412 HydrophobicContact CG2-CZ3 3.89Å; I162-F413 WeakPolarHBondContact CA-O 3.49Å; I162-V414 HydrophobicContact CD1-CG2 4.2Å; I162-V414 HydrophobicContact CG1-CG2 3.81Å; I162-I453 HydrophobicContact CD1-CD1 3.75Å; I162-I453 HydrophobicContact CG1-CD1 4.23Å; I162-I453 HydrophobicContact CG2-CD1 4.44Å; I162-F525 HydrophobicContact CD1-CE2 4.33Å; I162-F525 HydrophobicContact CD1-CZ 4.27Å
163F95.1Very high94.9Very high56 Ų5635.1 Ų35.125%0.24619%0.188CC..EExtended strand (participates in β ladder)trans-150158.4175.964-84.7000111.3A165 F413 H415 L450F163-A165 HydrophobicContact CD2-CB 3.87Å; F163-A165 HydrophobicContact CE2-CB 3.68Å; F163-F413 HydrophobicContact CE1-CB 4.27Å; F163-F413 HydrophobicContact CE2-CB 4.34Å; F163-F413 HydrophobicContact CZ-CB 4.07Å; F163-F413 PolarHBondContact N-O 2.98Å; F163-F413 PolarHBondContact O-N 3.42Å; F163-H415 HydrophobicContact CE1-CB 3.91Å; F163-H415 AromaticContact CE1-CD2 3.83Å; F163-L450 HydrophobicContact CE1-CD2 3.8Å; F163-L450 HydrophobicContact CZ-CD1 4.16Å; F163-L450 HydrophobicContact CZ-CD2 3.51Å; F163-L450 HydrophobicContact CZ-CG 4.49Å
164R95.4Very high94.6Very high50 Ų5037.6 Ų37.619%0.18921%0.208CC..EExtended strand (participates in β ladder)trans-98.1133.4172.8-164.7177.3-177.8-140.93.1109.4Q411 W412 Y467 D472 P474R164-Q411 WeakPolarHBondContact CA-O 3.44Å; R164-W412 HydrophobicContact CB-CD2 3.98Å; R164-W412 HydrophobicContact CB-CE3 4.05Å; R164-W412 HydrophobicContact CB-CH2 4.13Å; R164-W412 HydrophobicContact CB-CZ2 4.01Å; R164-W412 HydrophobicContact CB-CZ3 4.14Å; R164-W412 HydrophobicContact CG-CD2 4.3Å; R164-W412 HydrophobicContact CG-CZ2 4.39Å; R164-Y467 VanDerWaalsContact CZ-CZ 3.49Å; R164-Y467 PolarHBondContact NE-OH 3.35Å; R164-Y467 VanDerWaalsContact NH1-CD1 3.26Å; R164-D472 PolarHBondContact NH1-O 3.46Å; R164-D472 IonicContact NH1-OD2 2.7Å; R164-D472 IonicContact NH2-OD2 2.74Å; R164-P474 HydrophobicContact CB-CG 4.4Å
165A93.9Very high94.1Very high22 Ų2237.2 Ų37.218%0.18221%0.212CC..EExtended strand (participates in β ladder)trans-148.8153.4178.600000112F163 K167 K410 Q411 F413F163-A165 HydrophobicContact CD2-CB 3.87Å; F163-A165 HydrophobicContact CE2-CB 3.68Å; A165-K167 HydrophobicContact CB-CD 4.21Å; A165-K167 HydrophobicContact CB-CG 4.15Å; A165-K167 PolarHBondContact O-N 3.4Å; A165-K410 WeakPolarHBondContact O-CA 3.25Å; A165-Q411 PolarHBondContact N-O 3.4Å; A165-Q411 PolarHBondContact O-N 2.97Å; A165-F413 HydrophobicContact CB-CD2 4.29Å; A165-F413 HydrophobicContact CB-CE2 4.4Å
166F94.4Very high93.9Very high68 Ų6839.8 Ų39.830%0.29822%0.216SC..EExtended strand (participates in β ladder)trans-83.6105.5168.8-173.4-100000109.3F335 I345 S408 S409 K410F166-F335 HydrophobicContact CD1-CE2 4.3Å; F166-F335 WeakPolarHBondContact O-CE2 3.49Å; F166-F335 WeakPolarHBondContact O-CZ 3.34Å; F166-I345 HydrophobicContact CE1-CB 4.45Å; F166-I345 HydrophobicContact CE1-CG2 4.07Å; F166-S408 WeakPolarHBondContact CE2-O 3.48Å; F166-S408 VanDerWaalsContact CZ-CB 3.45Å; F166-S408 WeakPolarHBondContact CZ-O 3.12Å; F166-S409 WeakPolarHBondContact CA-O 3.14Å; F166-K410 HydrophobicContact CB-CG 4.27Å; F166-K410 HydrophobicContact CD2-CG 4.07Å
167K94.1Very high93.7Very high56 Ų5639.5 Ų39.524%0.24322%0.215CC..EExtended strand (participates in β ladder)trans-144.5155.3-175.6-75.7-175.5178.8-71.40111.6A165 F335 S408 S409 F413 L450A165-K167 HydrophobicContact CB-CD 4.21Å; A165-K167 HydrophobicContact CB-CG 4.15Å; A165-K167 PolarHBondContact O-N 3.4Å; K167-F335 HydrophobicContact CG-CE1 4.14Å; K167-F335 HydrophobicContact CG-CZ 4.09Å; K167-S408 WeakPolarHBondContact O-CA 3.46Å; K167-S409 PolarHBondContact N-O 2.81Å; K167-S409 VanDerWaalsContact N-O 3.14Å; K167-S409 PolarHBondContact O-N 3.31Å; K167-S409 VanDerWaalsContact O-N 3.11Å; K167-F413 HydrophobicContact CB-CE2 3.96Å; K167-F413 HydrophobicContact CB-CZ 3.71Å; K167-F413 HydrophobicContact CD-CE2 4.28Å; K167-F413 HydrophobicContact CD-CZ 4.4Å; K167-F413 HydrophobicContact CG-CE2 4.44Å; K167-L450 HydrophobicContact CD-CD1 3.41Å; K167-L450 VanDerWaalsContact CD-CD1 3.41Å; K167-L450 VanDerWaalsContact CE-CD1 3.42Å
168P94.4Very high93.6Very high13 Ų1335.8 Ų35.88%0.08420%0.2CC..EExtended strand (participates in β ladder)trans-64.8135.1177.226.5-35.2000110.5F332 F335 I406 S408P168-F332 HydrophobicContact CB-CD1 3.97Å; P168-F332 HydrophobicContact CB-CE1 4.06Å; P168-F332 HydrophobicContact CG-CD1 3.64Å; P168-F332 HydrophobicContact CG-CE1 4.07Å; P168-F332 HydrophobicContact CG-CG 4.45Å; P168-F332 WeakPolarHBondContact O-CE1 3.38Å; P168-F335 VanDerWaalsContact CD-CG 3.41Å; P168-F335 HydrophobicContact CG-CB 3.75Å; P168-F335 HydrophobicContact CG-CD1 4.32Å; P168-F335 HydrophobicContact CG-CD2 4.3Å; P168-F335 HydrophobicContact CG-CG 3.87Å; P168-I406 HydrophobicContact CB-CG2 3.71Å; P168-S408 WeakPolarHBondContact CA-OG 3.47Å
169V93.8Very high93.3Very high8 Ų830.7 Ų30.75%0.04818%0.177CC..EExtended strand (participates in β ladder)trans-133.1154.8172-630000109.6W171 A178 R407 Q411 F413 C452V169-W171 HydrophobicContact CG2-CE3 4.31Å; V169-W171 PolarHBondContact O-N 2.94Å; V169-A178 HydrophobicContact CB-CB 4.33Å; V169-A178 HydrophobicContact CG2-CB 3.98Å; V169-R407 WeakPolarHBondContact CG2-O 3.41Å; V169-R407 PolarHBondContact N-O 3.44Å; V169-R407 PolarHBondContact O-N 2.58Å; V169-Q411 HydrophobicContact CG1-CG 4.15Å; V169-F413 HydrophobicContact CG1-CE1 4.27Å; V169-F413 HydrophobicContact CG1-CZ 4.03Å; V169-C452 HydrophobicContact CG1-CB 4.4Å
170Y94.6Very high92.7Very high38 Ų3827.8 Ų27.815%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-65.1119.6162.9-67.2-73.2000108.2A178 L179 E181 L184 F332 P395 V404 I406Y170-A178 CarbonylContact O-C 3.57Å; Y170-A178 WeakPolarHBondContact O-CA 3.44Å; Y170-L179 PolarHBondContact O-N 2.82Å; Y170-E181 HydrophobicContact CE2-CB 4.49Å; Y170-E181 HydrophobicContact CE2-CG 4.42Å; Y170-L184 HydrophobicContact CD1-CD1 3.76Å; Y170-L184 HydrophobicContact CD2-CD1 3.6Å; Y170-L184 HydrophobicContact CE1-CD1 3.75Å; Y170-L184 HydrophobicContact CE2-CD1 3.59Å; Y170-L184 HydrophobicContact CG-CD1 3.67Å; Y170-L184 HydrophobicContact CG-CD2 4.34Å; Y170-F332 HydrophobicContact CD2-CE2 4.35Å; Y170-F332 HydrophobicContact CD2-CZ 4.02Å; Y170-F332 AromaticContact CE1-CE2 4Å; Y170-F332 HydrophobicContact CE1-CE2 4Å; Y170-F332 AromaticContact CE2-CE2 3.78Å; Y170-F332 HydrophobicContact CE2-CE2 3.78Å; Y170-F332 AromaticContact CE2-CZ 3.79Å; Y170-F332 HydrophobicContact CE2-CZ 3.79Å; Y170-F332 AromaticContact CZ-CE2 3.59Å; Y170-P395 HydrophobicContact CE1-CG 4.35Å; Y170-V404 HydrophobicContact CD1-CG2 3.94Å; Y170-I406 HydrophobicContact CD1-CG1 4.21Å; Y170-I406 HydrophobicContact CE1-CD1 4.45Å; Y170-I406 HydrophobicContact CE1-CG1 4.22Å
171W95.9Very high92Very high6 Ų631 Ų312%0.02316%0.16CC..EExtended strand (participates in β ladder)trans-115.9131.5-176.7-173.7-97.2000109.3V169 P173 K176 A178 E351 V404 I405 R407 Q456V169-W171 HydrophobicContact CG2-CE3 4.31Å; V169-W171 PolarHBondContact O-N 2.94Å; W171-P173 VanDerWaalsContact O-CD 3.28Å; W171-P173 WeakPolarHBondContact O-CD 3.25Å; W171-K176 WeakPolarHBondContact CH2-O 3.39Å; W171-K176 HydrophobicContact CZ2-CB 4.45Å; W171-K176 WeakPolarHBondContact CZ2-O 3.27Å; W171-A178 HydrophobicContact CE3-CB 4.31Å; W171-A178 HydrophobicContact CZ3-CB 4.4Å; W171-E351 HydrophobicContact CH2-CB 4.49Å; W171-E351 HydrophobicContact CZ2-CB 3.67Å; W171-E351 PolarHBondContact NE1-O 2.91Å; W171-V404 WeakPolarHBondContact O-CB 3.37Å; W171-I405 HydrophobicContact CB-CG1 4.09Å; W171-I405 PolarHBondContact N-O 3.08Å; W171-I405 PolarHBondContact O-N 2.69Å; W171-R407 HydrophobicContact CB-CB 3.99Å; W171-R407 HydrophobicContact CG-CB 4.39Å; W171-Q456 HydrophobicContact CH2-CG 4.28Å
172S94.7Very high91Very high0 Ų033.1 Ų33.10%018%0.179CC..EExtended strand (participates in β ladder)trans-97.9103.5170.4178.70000108.7A174 A175 K176 T177 D397S172-A174 PolarHBondContact O-N 3.42Å; S172-A175 CarbonylContact O-C 3.58Å; S172-A175 PolarHBondContact O-N 3.48Å; S172-A175 WeakPolarHBondContact OG-CB 3.5Å; S172-A175 PolarHBondContact OG-N 3.47Å; S172-K176 WeakPolarHBondContact O-CA 3.44Å; S172-K176 PolarHBondContact O-N 3.01Å; S172-T177 PolarHBondContact N-O 2.82Å; S172-T177 PolarHBondContact O-N 3.19Å; S172-D397 WeakPolarHBondContact CB-OD2 3.37Å; S172-D397 PolarHBondContact OG-OD2 3.04Å
173P94.4Very high90.2Very high26 Ų2633.2 Ų33.217%0.16918%0.179CC..THydrogen-bonded Turntrans-59.4-31174.7-23.934.7000112.4W171 I405W171-P173 VanDerWaalsContact O-CD 3.28Å; W171-P173 WeakPolarHBondContact O-CD 3.25Å; P173-I405 HydrophobicContact CG-CD1 3.94Å; P173-I405 HydrophobicContact CG-CG1 3.99Å; P173-I405 HydrophobicContact CG-CG2 4.49Å
174A89.7Confident89.8Confident51 Ų5131.4 Ų31.442%0.42117%0.172SC..THydrogen-bonded Turntrans-68.2-38.2179.100000112.8S172 T400 K402S172-A174 PolarHBondContact O-N 3.42Å; A174-T400 HydrophobicContact CB-CG2 4.23Å; A174-K402 HydrophobicContact CB-CB 4.36Å; A174-K402 HydrophobicContact CB-CD 3.67Å
175A86.2Confident89.5Confident30 Ų3033 Ų3325%0.24818%0.182CC..THydrogen-bonded Turntrans-99.7-3178.100000113.5S172 T177 T400S172-A175 CarbonylContact O-C 3.58Å; S172-A175 PolarHBondContact O-N 3.48Å; S172-A175 WeakPolarHBondContact OG-CB 3.5Å; S172-A175 PolarHBondContact OG-N 3.47Å; A175-T177 VanDerWaalsContact C-N 3.28Å; A175-T177 HydrophobicContact CB-CG2 3.82Å; A175-T177 PolarHBondContact O-N 3.09Å; A175-T400 HydrophobicContact CB-CG2 4.23Å
176K90.5Very high89.3Confident93 Ų9336.8 Ų36.840%0.40419%0.192SC..THydrogen-bonded Turntrans4943.8-176.6-55.3-178.8-172.3178.90113.7W171 S172 H352W171-K176 WeakPolarHBondContact CH2-O 3.39Å; W171-K176 HydrophobicContact CZ2-CB 4.45Å; W171-K176 WeakPolarHBondContact CZ2-O 3.27Å; S172-K176 WeakPolarHBondContact O-CA 3.44Å; S172-K176 PolarHBondContact O-N 3.01Å; K176-H352 WeakPolarHBondContact CE-CE1 3.38Å; K176-H352 WeakPolarHBondContact CE-ND1 3.44Å; K176-H352 PolarHBondContact NZ-CE1 3.07Å
177T91.1Very high89.2Confident0 Ų037.2 Ų37.20%019%0.192CC..EExtended strand (participates in β ladder)trans-151.3151.7-172.3-1610000111.4S172 A175 Q456S172-T177 PolarHBondContact N-O 2.82Å; S172-T177 PolarHBondContact O-N 3.19Å; A175-T177 VanDerWaalsContact C-N 3.28Å; A175-T177 HydrophobicContact CB-CG2 3.82Å; A175-T177 PolarHBondContact O-N 3.09Å; T177-Q456 PolarHBondContact OG1-N 3.34Å
178A92.5Very high89Confident1 Ų138.9 Ų38.91%0.00821%0.208CC..EExtended strand (participates in β ladder)trans-67.2148.717000000110.9V169 Y170 W171 R455V169-A178 HydrophobicContact CB-CB 4.33Å; V169-A178 HydrophobicContact CG2-CB 3.98Å; Y170-A178 CarbonylContact O-C 3.57Å; Y170-A178 WeakPolarHBondContact O-CA 3.44Å; W171-A178 HydrophobicContact CE3-CB 4.31Å; W171-A178 HydrophobicContact CZ3-CB 4.4Å; A178-R455 WeakPolarHBondContact O-CD 3.24Å; A178-R455 PolarHBondContact O-NE 3.49Å
179L89Confident88.9Confident7 Ų743.3 Ų43.34%0.03724%0.235CC..EExtended strand (participates in β ladder)trans-118.7142.1177-68.3171.5000110.6Y170 E183 L184 D397 V404Y170-L179 PolarHBondContact O-N 2.82Å; L179-E183 WeakPolarHBondContact CA-OE2 3.32Å; L179-E183 HydrophobicContact CD2-CB 4.34Å; L179-E183 WeakPolarHBondContact CD2-OE2 3.47Å; L179-L184 HydrophobicContact CB-CD2 4.31Å; L179-L184 HydrophobicContact CD1-CD2 4.09Å; L179-D397 HydrophobicContact CD1-CB 3.76Å; L179-V404 HydrophobicContact CD1-CG1 3.56Å
180A82.7Confident88.9Confident4 Ų443.9 Ų43.93%0.03324%0.237CC..  trans-73.2151.5164.100000109.8A182 E183A180-A182 PolarHBondContact O-N 3.32Å; A180-E183 HydrophobicContact CB-CG 4.07Å; A180-E183 PolarHBondContact N-OE2 3.01Å; A180-E183 WeakPolarHBondContact O-CA 3.49Å; A180-E183 VanDerWaalsContact O-CB 3.28Å; A180-E183 WeakPolarHBondContact O-CB 3.49Å; A180-E183 PolarHBondContact O-N 2.79Å
181E78.2Confident88.9Confident109 Ų10950.2 Ų50.251%0.50926%0.261SS..G310 helixtrans-61.9-33.2177.1-170.6175.7-177.600112.5Y170 E183 L184Y170-E181 HydrophobicContact CE2-CB 4.49Å; Y170-E181 HydrophobicContact CE2-CG 4.42Å; E181-E183 PolarHBondContact O-N 3.39Å; E181-L184 HydrophobicContact CG-CD1 4.19Å; E181-L184 WeakPolarHBondContact O-CB 3.39Å; E181-L184 PolarHBondContact O-N 2.73Å
182A74.7Confident88.8Confident54 Ų5450.4 Ų50.445%0.44626%0.263SS..G310 helixtrans-63.2-17.5172.400000113.2A180 W524A180-A182 PolarHBondContact O-N 3.32Å; A182-W524 HydrophobicContact CB-CZ2 4.15Å
183E79.7Confident88.8Confident5 Ų553.7 Ų53.72%0.02328%0.28CS..G310 helixtrans-92.77.2173.4-55.8175133.100111.8L179 A180 E181 R399L179-E183 WeakPolarHBondContact CA-OE2 3.32Å; L179-E183 HydrophobicContact CD2-CB 4.34Å; L179-E183 WeakPolarHBondContact CD2-OE2 3.47Å; A180-E183 HydrophobicContact CB-CG 4.07Å; A180-E183 PolarHBondContact N-OE2 3.01Å; A180-E183 WeakPolarHBondContact O-CA 3.49Å; A180-E183 VanDerWaalsContact O-CB 3.28Å; A180-E183 WeakPolarHBondContact O-CB 3.49Å; A180-E183 PolarHBondContact O-N 2.79Å; E181-E183 PolarHBondContact O-N 3.39Å; E183-R399 IonicContact OE1-CZ 3.08Å; E183-R399 IonicContact OE1-NH1 3.81Å; E183-R399 PolarHBondContact OE1-NH1 2.8Å; E183-R399 IonicContact OE1-NH2 3.14Å; E183-R399 PolarHBondContact OE1-NH2 3.1Å; E183-R399 IonicContact OE2-NH1 2.75Å
184L87.2Confident88.8Confident19 Ų1952.4 Ų52.410%0.09927%0.272CS..EExtended strand (participates in β ladder)trans-93129.8177.2-58.6177.6000111Y170 L179 E181 Y186 P395 Y396 V404Y170-L184 HydrophobicContact CD1-CD1 3.76Å; Y170-L184 HydrophobicContact CD2-CD1 3.6Å; Y170-L184 HydrophobicContact CE1-CD1 3.75Å; Y170-L184 HydrophobicContact CE2-CD1 3.59Å; Y170-L184 HydrophobicContact CG-CD1 3.67Å; Y170-L184 HydrophobicContact CG-CD2 4.34Å; L179-L184 HydrophobicContact CB-CD2 4.31Å; L179-L184 HydrophobicContact CD1-CD2 4.09Å; E181-L184 HydrophobicContact CG-CD1 4.19Å; E181-L184 WeakPolarHBondContact O-CB 3.39Å; E181-L184 PolarHBondContact O-N 2.73Å; L184-Y186 HydrophobicContact CB-CD2 4.47Å; L184-Y186 HydrophobicContact CB-CE2 4.04Å; L184-P395 HydrophobicContact CB-CB 4.35Å; L184-P395 HydrophobicContact CD1-CB 4.01Å; L184-P395 HydrophobicContact CD2-CB 4.29Å; L184-P395 HydrophobicContact CG-CB 4.45Å; L184-Y396 WeakPolarHBondContact CA-O 3.29Å; L184-V404 HydrophobicContact CD2-CG1 4.11Å; L184-V404 HydrophobicContact CD2-CG2 4.14Å
185E87.5Confident89.1Confident83 Ų8350 Ų5039%0.38825%0.252SS..EExtended strand (participates in β ladder)trans-96.4112.5165.8-175.2-175-156.400108.7R187 Y396 W398E185-R187 HydrophobicContact CG-CG 4.25Å; E185-R187 PolarHBondContact O-N 2.95Å; E185-R187 IonicContact OE2-CZ 2.83Å; E185-R187 IonicContact OE2-NE 3.96Å; E185-R187 PolarHBondContact OE2-NE 3.23Å; E185-R187 IonicContact OE2-NH2 3.23Å; E185-R187 PolarHBondContact OE2-NH2 3.45Å; E185-Y396 PolarHBondContact N-O 3.4Å; E185-Y396 WeakPolarHBondContact O-CB 3.22Å; E185-Y396 PolarHBondContact O-N 3.05Å; E185-W398 HydrophobicContact CB-CB 4.08Å
186Y90.6Very high89.6Confident101 Ų10149 Ų4940%0.39624%0.242SC..EExtended strand (participates in β ladder)trans-81.7113.7175.1-74.9-87.1000110.2L184 P395L184-Y186 HydrophobicContact CB-CD2 4.47Å; L184-Y186 HydrophobicContact CB-CE2 4.04Å; Y186-P395 HydrophobicContact CD1-CB 4.33Å; Y186-P395 HydrophobicContact CE1-CB 3.98Å; Y186-P395 HydrophobicContact CE1-CG 4.47Å
187R91.3Very high89.9Confident77 Ų7744.6 Ų44.629%0.29122%0.223SC..EExtended strand (participates in β ladder)trans-101.4113.8-178.5-67.1-170.8177.9-178.90.3110.9E185 T189 H190 H392 S393 Y394 Y396E185-R187 HydrophobicContact CG-CG 4.25Å; E185-R187 PolarHBondContact O-N 2.95Å; E185-R187 IonicContact OE2-CZ 2.83Å; E185-R187 IonicContact OE2-NE 3.96Å; E185-R187 PolarHBondContact OE2-NE 3.23Å; E185-R187 IonicContact OE2-NH2 3.23Å; E185-R187 PolarHBondContact OE2-NH2 3.45Å; R187-T189 PolarHBondContact O-N 3.47Å; R187-H190 PolarHBondContact O-N 3.38Å; R187-H392 VanDerWaalsContact O-O 3.1Å; R187-S393 WeakPolarHBondContact O-CA 3.39Å; R187-Y394 PolarHBondContact N-O 3.21Å; R187-Y394 PolarHBondContact O-N 2.77Å; R187-Y394 VanDerWaalsContact O-N 3.16Å; R187-Y396 HydrophobicContact CB-CD2 3.99Å; R187-Y396 HydrophobicContact CB-CE2 4.04Å; R187-Y396 HydrophobicContact CG-CD2 3.91Å; R187-Y396 HydrophobicContact CG-CE2 4.31Å; R187-Y396 HydrophobicContact CG-CG 4.15Å
188P90.7Very high90.2Very high91 Ų9144.8 Ų44.859%0.59122%0.224SC*.EExtended strand (participates in β ladder)trans-71.1-13.1-17829.3-35.3000113.9V391 H392P188-V391 WeakPolarHBondContact O-CG1 3.23Å; P188-H392 CarbonylContact C-O 3.28Å; P188-H392 CarbonylContact O-C 3.54Å
189T92.2Very high90.3Very high107 Ų10744.7 Ų44.766%0.65622%0.223SC*.EExtended strand (participates in β ladder)trans-96.810.9-177.660.10000113.1R187R187-T189 PolarHBondContact O-N 3.47Å
190H94.4Very high90.6Very high20 Ų2047 Ų479%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-68.6133.9-179.4-18079.8000110.4R187 S192 V391 H392 Y394 Y396R187-H190 PolarHBondContact O-N 3.38Å; H190-S192 PolarHBondContact CD2-OG 2.95Å; H190-S192 PolarHBondContact NE2-OG 3.39Å; H190-S192 VanDerWaalsContact NE2-OG 3.08Å; H190-V391 VanDerWaalsContact O-CA 3.31Å; H190-V391 WeakPolarHBondContact O-CA 3.47Å; H190-H392 WeakPolarHBondContact CB-O 3.17Å; H190-H392 PolarHBondContact N-O 3.23Å; H190-H392 PolarHBondContact O-N 3.13Å; H190-Y394 WeakPolarHBondContact CD2-CB 3.39Å; H190-Y394 AromaticContact CD2-CD2 4Å; H190-Y394 AromaticContact CD2-CG 3.6Å; H190-Y394 AromaticContact CG-CG 3.94Å; H190-Y394 AromaticContact NE2-CG 3.83Å; H190-Y396 HydrophobicContact CB-CE2 4.04Å; H190-Y396 AromaticContact CG-CE2 3.93Å; H190-Y396 AromaticContact ND1-CE2 3.38Å; H190-Y396 WeakPolarHBondContact ND1-CE2 3.44Å; H190-Y396 AromaticContact ND1-CZ 3.43Å; H190-Y396 PolarHBondContact ND1-OH 3.48Å
191R93.6Very high91.2Very high171 Ų17147 Ų4765%0.64524%0.235SC*.EExtended strand (participates in β ladder)trans-99.8119.3177.7-73167.5178-120.35.8109.2E389 I390 V391R191-E389 HydrophobicContact CB-CG 4.42Å; R191-E389 WeakPolarHBondContact CD-OE1 3.35Å; R191-E389 WeakPolarHBondContact CG-OE1 3.44Å; R191-E389 IonicContact CZ-OE1 2.8Å; R191-E389 IonicContact NE-OE1 3.42Å; R191-E389 IonicContact NH1-OE1 2.68Å; R191-E389 PolarHBondContact NH1-OE1 3.49Å; R191-I390 WeakPolarHBondContact CA-O 3.46Å; R191-V391 HydrophobicContact CG-CG2 4Å
192S93.7Very high92Very high9 Ų945.5 Ų45.56%0.06323%0.229CC..EExtended strand (participates in β ladder)trans-116.9145.9174-56.30000111H190 A194 I390 H392H190-S192 PolarHBondContact CD2-OG 2.95Å; H190-S192 PolarHBondContact NE2-OG 3.39Å; H190-S192 VanDerWaalsContact NE2-OG 3.08Å; S192-A194 PolarHBondContact O-N 2.92Å; S192-I390 PolarHBondContact N-O 2.57Å; S192-I390 WeakPolarHBondContact O-CG1 3.27Å; S192-I390 PolarHBondContact O-N 2.81Å; S192-H392 PolarHBondContact OG-NE2 2.9Å
193L94.6Very high92.9Very high69 Ų6946.3 Ų46.336%0.36123%0.226SC..EExtended strand (participates in β ladder)trans-81.1109.4168.2177.366000108.8V195 P226 L377 R387L193-V195 HydrophobicContact CD2-CG2 4.14Å; L193-V195 HydrophobicContact CG-CG2 3.89Å; L193-P226 HydrophobicContact CB-CG 4.39Å; L193-P226 HydrophobicContact CD2-CG 4.33Å; L193-P226 HydrophobicContact CG-CG 4.47Å; L193-P226 VanDerWaalsContact O-CD 3.27Å; L193-P226 WeakPolarHBondContact O-CD 3.46Å; L193-L377 HydrophobicContact CD2-CD1 3.78Å; L193-R387 HydrophobicContact CD1-CB 4.08Å
194A94.7Very high93.6Very high0 Ų046.5 Ų46.50%023%0.227CC..EExtended strand (participates in β ladder)trans-85.9137169.400000110.6S192 W222 T223 R387 E388 I390S192-A194 PolarHBondContact O-N 2.92Å; A194-W222 HydrophobicContact CB-CZ2 4.03Å; A194-T223 CarbonylContact C-O 3.56Å; A194-T223 VanDerWaalsContact CA-O 3.26Å; A194-T223 WeakPolarHBondContact CA-O 3.43Å; A194-R387 WeakPolarHBondContact O-CA 3.19Å; A194-E388 HydrophobicContact CB-CB 4.38Å; A194-E388 PolarHBondContact N-O 3.09Å; A194-E388 PolarHBondContact O-N 3.06Å; A194-I390 HydrophobicContact CB-CD1 4.38Å; A194-I390 HydrophobicContact CB-CG1 4.25Å; A194-I390 HydrophobicContact CB-CG2 3.95Å
195V96.3Very high93.8Very high0 Ų047.7 Ų47.70%024%0.236CC..EExtended strand (participates in β ladder)trans-131.6132.9-175.8-176.80000110.9L193 F197 W222 T223 P226 L377 V384L193-V195 HydrophobicContact CD2-CG2 4.14Å; L193-V195 HydrophobicContact CG-CG2 3.89Å; V195-F197 HydrophobicContact CG1-CB 4.26Å; V195-W222 WeakPolarHBondContact O-CA 3.48Å; V195-T223 PolarHBondContact N-O 3.16Å; V195-T223 PolarHBondContact O-N 2.67Å; V195-P226 HydrophobicContact CG2-CB 3.88Å; V195-P226 HydrophobicContact CG2-CG 4.27Å; V195-L377 HydrophobicContact CG1-CD2 3.88Å; V195-L377 HydrophobicContact CG2-CD1 3.8Å; V195-L377 HydrophobicContact CG2-CD2 4.38Å; V195-V384 HydrophobicContact CG1-CG1 4.14Å
196Y96.6Very high94Very high9 Ų945.3 Ų45.34%0.03522%0.224CC..EExtended strand (participates in β ladder)trans-94.4110.1165.1-64.9-100.2000108.5V220 V221 W222 F273 A276 T321 L385 A386Y196-V220 HydrophobicContact CD1-CG1 4.36Å; Y196-V221 WeakPolarHBondContact CA-O 3.47Å; Y196-W222 HydrophobicContact CD1-CB 4.37Å; Y196-W222 AromaticContact CD1-CD1 3.91Å; Y196-W222 AromaticContact CD2-CD1 3.81Å; Y196-W222 HydrophobicContact CE1-CB 4.39Å; Y196-W222 AromaticContact CE1-CD1 3.6Å; Y196-W222 HydrophobicContact CE1-CG 4.28Å; Y196-W222 AromaticContact CE2-CD1 3.48Å; Y196-W222 VanDerWaalsContact CE2-CD1 3.48Å; Y196-W222 AromaticContact CE2-NE1 3.78Å; Y196-W222 AromaticContact CZ-CD1 3.38Å; Y196-W222 AromaticContact CZ-NE1 3.79Å; Y196-F273 AromaticContact CD1-CD2 3.74Å; Y196-F273 HydrophobicContact CD1-CD2 3.74Å; Y196-F273 HydrophobicContact CD1-CE2 4.1Å; Y196-F273 AromaticContact CE1-CD2 3.93Å; Y196-F273 HydrophobicContact CE1-CD2 3.93Å; Y196-A276 HydrophobicContact CD2-CB 4.16Å; Y196-A276 HydrophobicContact CE1-CB 4.34Å; Y196-A276 HydrophobicContact CE2-CB 3.41Å; Y196-A276 VanDerWaalsContact CE2-CB 3.41Å; Y196-T321 HydrophobicContact CD1-CG2 3.63Å; Y196-T321 HydrophobicContact CE1-CG2 3.74Å; Y196-L385 PolarHBondContact O-N 2.92Å; Y196-A386 HydrophobicContact CD2-CB 3.68Å; Y196-A386 HydrophobicContact CE2-CB 4.39Å; Y196-A386 HydrophobicContact CG-CB 4.25Å; Y196-A386 PolarHBondContact N-O 3.27Å
197F96.9Very high93.9Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-119.2138.4-172.5-163.5-94000111.1V195 M199 V220 V221 L229 P300 F376 L377 H383 V384V195-F197 HydrophobicContact CG1-CB 4.26Å; F197-M199 HydrophobicContact CD1-CE 4.05Å; F197-M199 HydrophobicContact CD1-CG 4.21Å; F197-M199 HydrophobicContact CE1-CE 4.32Å; F197-M199 HydrophobicContact CE1-CG 4.42Å; F197-V220 WeakPolarHBondContact O-CA 3.22Å; F197-V221 HydrophobicContact CB-CG2 3.98Å; F197-V221 PolarHBondContact N-O 3.37Å; F197-V221 WeakPolarHBondContact O-CG2 3.44Å; F197-V221 PolarHBondContact O-N 3.35Å; F197-L229 HydrophobicContact CB-CD1 4.14Å; F197-L229 HydrophobicContact CB-CD2 4.35Å; F197-L229 HydrophobicContact CD2-CD1 4.16Å; F197-L229 HydrophobicContact CG-CD1 4.1Å; F197-P300 HydrophobicContact CE1-CG 3.91Å; F197-P300 HydrophobicContact CZ-CG 3.96Å; F197-F376 HydrophobicContact CD2-CE1 4.41Å; F197-F376 HydrophobicContact CE1-CE1 4.28Å; F197-F376 HydrophobicContact CE1-CZ 4.29Å; F197-F376 HydrophobicContact CE2-CD1 4.49Å; F197-F376 AromaticContact CE2-CE1 3.69Å; F197-F376 HydrophobicContact CE2-CE1 3.69Å; F197-F376 HydrophobicContact CE2-CZ 4.29Å; F197-F376 AromaticContact CZ-CE1 3.61Å; F197-F376 HydrophobicContact CZ-CE1 3.61Å; F197-F376 AromaticContact CZ-CZ 3.75Å; F197-F376 HydrophobicContact CZ-CZ 3.75Å; F197-L377 HydrophobicContact CD2-CD2 4.14Å; F197-L377 HydrophobicContact CE2-CD2 4.29Å; F197-H383 CarbonylContact C-O 3.5Å; F197-H383 WeakPolarHBondContact CA-O 3.5Å; F197-H383 HydrophobicContact CD1-CB 4.46Å; F197-H383 HydrophobicContact CD2-CB 4.17Å; F197-H383 HydrophobicContact CE1-CB 3.93Å; F197-H383 HydrophobicContact CE2-CB 3.61Å; F197-H383 HydrophobicContact CZ-CB 3.47Å; F197-H383 VanDerWaalsContact CZ-CB 3.47Å; F197-V384 HydrophobicContact CD2-CG2 4.05Å; F197-V384 HydrophobicContact CE2-CG2 4.13Å
198T96.4Very high93.7Very high4 Ų450.9 Ų50.93%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-107.1133.8-175.355.80000113W218 A219 V220 Y263 H383 L385T198-W218 HydrophobicContact CG2-CB 4.29Å; T198-A219 CarbonylContact C-O 3.57Å; T198-A219 VanDerWaalsContact CA-O 3.32Å; T198-A219 WeakPolarHBondContact CA-O 3.28Å; T198-V220 HydrophobicContact CG2-CG2 4.16Å; T198-Y263 HydrophobicContact CG2-CD1 3.92Å; T198-Y263 HydrophobicContact CG2-CE1 3.83Å; T198-H383 PolarHBondContact N-O 3.08Å; T198-H383 PolarHBondContact O-ND1 2.95Å; T198-H383 VanDerWaalsContact OG1-CA 3.24Å; T198-H383 WeakPolarHBondContact OG1-CA 3.42Å; T198-H383 PolarHBondContact OG1-O 3.24Å; T198-H383 VanDerWaalsContact OG1-O 3.1Å; T198-L385 HydrophobicContact CG2-CD1 3.34Å; T198-L385 HydrophobicContact CG2-CD2 4.02Å; T198-L385 HydrophobicContact CG2-CG 3.46Å; T198-L385 VanDerWaalsContact CG2-CG 3.46Å
199M95.4Very high93.6Very high0 Ų048.4 Ų48.40%024%0.241CC..EExtended strand (participates in β ladder)trans-122.5139.8175.8-61.7179.5176.500110F197 T201 W218 A219 V221 L229 N232 I235 Y297 M299F197-M199 HydrophobicContact CD1-CE 4.05Å; F197-M199 HydrophobicContact CD1-CG 4.21Å; F197-M199 HydrophobicContact CE1-CE 4.32Å; F197-M199 HydrophobicContact CE1-CG 4.42Å; M199-T201 PolarHBondContact O-N 3.5Å; M199-W218 CarbonylContact O-C 3.54Å; M199-W218 WeakPolarHBondContact O-CA 3.01Å; M199-A219 PolarHBondContact N-O 3.06Å; M199-A219 PolarHBondContact O-N 2.8Å; M199-V221 HydrophobicContact CE-CG2 4.31Å; M199-L229 HydrophobicContact CE-CD2 4.36Å; M199-N232 HydrophobicContact CE-CB 4.3Å; M199-I235 HydrophobicContact CB-CD1 4.34Å; M199-I235 HydrophobicContact SD-CD1 3.93Å; M199-I235 HydrophobicContact SD-CG1 4.31Å; M199-Y297 HydrophobicContact CB-CD2 3.68Å; M199-Y297 HydrophobicContact CB-CE2 4.33Å; M199-Y297 HydrophobicContact CB-CG 4.36Å; M199-Y297 HydrophobicContact CG-CD2 4.17Å; M199-Y297 HydrophobicContact CG-CE2 4.34Å; M199-Y297 HydrophobicContact SD-CD2 3.63Å; M199-Y297 HydrophobicContact SD-CE2 3.27Å; M199-Y297 WeakPolarHBondContact SD-CE2 3.39Å; M199-M299 HydrophobicContact CE-CG 4.48Å; M199-M299 HydrophobicContact SD-CG 4.4Å
200L95.3Very high93.4Very high55 Ų5548 Ų4829%0.28825%0.249SC..EExtended strand (participates in β ladder)trans-78.5119.5-173.7-179.965.2000109.9I202 P216 W218 Y297 S298L200-I202 HydrophobicContact CD2-CD1 4.16Å; L200-I202 HydrophobicContact CG-CD1 4.25Å; L200-P216 HydrophobicContact CD1-CB 3.85Å; L200-W218 HydrophobicContact CB-CE3 3.96Å; L200-W218 HydrophobicContact CB-CH2 4.11Å; L200-W218 HydrophobicContact CB-CZ3 3.59Å; L200-W218 HydrophobicContact CD1-CD2 4.27Å; L200-W218 HydrophobicContact CD1-CE3 4.26Å; L200-W218 HydrophobicContact CD1-CH2 4.09Å; L200-W218 HydrophobicContact CD1-CZ2 4.1Å; L200-W218 HydrophobicContact CD1-CZ3 4.18Å; L200-W218 HydrophobicContact CG-CZ3 4.42Å; L200-Y297 CarbonylContact O-C 3.15Å; L200-Y297 WeakPolarHBondContact O-CA 3.26Å; L200-Y297 VanDerWaalsContact O-CB 3.31Å; L200-Y297 WeakPolarHBondContact O-CB 3.48Å; L200-S298 PolarHBondContact N-O 2.95Å; L200-S298 PolarHBondContact O-N 3.36Å
201T95.7Very high93Very high3 Ų348.2 Ų48.22%0.01825%0.25CS..EExtended strand (participates in β ladder)trans-79.6126.9172.7-46.50000110.1M199 F204 I217 L295 L296 F309M199-T201 PolarHBondContact O-N 3.5Å; T201-F204 HydrophobicContact CG2-CB 3.86Å; T201-F204 HydrophobicContact CG2-CD2 4.26Å; T201-I217 PolarHBondContact N-O 3.42Å; T201-L295 HydrophobicContact CG2-CB 4.49Å; T201-L295 HydrophobicContact CG2-CD1 4.23Å; T201-L296 WeakPolarHBondContact CG2-O 3.41Å; T201-F309 HydrophobicContact CG2-CE2 4.34Å
202I94Very high92.7Very high78 Ų7842.7 Ų42.740%0.424%0.238SC..SBendtrans-87.1-50.6-169.9-59.2-58.8000111.9L200 L296 T306L200-I202 HydrophobicContact CD2-CD1 4.16Å; L200-I202 HydrophobicContact CG-CD1 4.25Å; I202-L296 PolarHBondContact N-O 2.98Å; I202-T306 HydrophobicContact CG1-CG2 4.16Å
203N93.8Very high92.2Very high71 Ų7146.8 Ų46.838%0.3826%0.264SS..SBendtrans-110.829.4-170.367.1-23.7000113.3G294 L295 L296N203-G294 PolarHBondContact ND2-O 3.24Å; N203-L295 VanDerWaalsContact OD1-CA 3.32Å; N203-L295 WeakPolarHBondContact OD1-CA 3.35Å; N203-L296 PolarHBondContact OD1-N 3.45Å
204F94.6Very high91.8Very high9 Ų950.4 Ų50.44%0.03928%0.283CS..  trans-60.8134.8177.3-166.8-89.1000111.2T201 K206 F209 I217 L245 L264 F287 L291 L295T201-F204 HydrophobicContact CG2-CB 3.86Å; T201-F204 HydrophobicContact CG2-CD2 4.26Å; F204-K206 VanDerWaalsContact C-N 3.27Å; F204-K206 HydrophobicContact CD1-CG 4.21Å; F204-K206 PolarHBondContact O-N 2.94Å; F204-F209 AromaticContact CE1-CD2 3.59Å; F204-F209 HydrophobicContact CE1-CD2 3.59Å; F204-F209 AromaticContact CE1-CE2 3.56Å; F204-F209 HydrophobicContact CE1-CE2 3.56Å; F204-F209 HydrophobicContact CZ-CD2 4.2Å; F204-F209 AromaticContact CZ-CE2 3.74Å; F204-F209 HydrophobicContact CZ-CE2 3.74Å; F204-F209 HydrophobicContact CZ-CZ 4.43Å; F204-I217 HydrophobicContact CB-CB 4.26Å; F204-I217 HydrophobicContact CB-CG1 4.04Å; F204-I217 HydrophobicContact CB-CG2 4.45Å; F204-I217 HydrophobicContact CD1-CG1 3.93Å; F204-I217 HydrophobicContact CD1-CG2 4.46Å; F204-I217 HydrophobicContact CD2-CG2 4.08Å; F204-I217 HydrophobicContact CE2-CG2 4.5Å; F204-I217 HydrophobicContact CG-CB 4.32Å; F204-I217 HydrophobicContact CG-CG1 4.02Å; F204-I217 HydrophobicContact CG-CG2 4.06Å; F204-L245 HydrophobicContact CE1-CD1 3.74Å; F204-L245 HydrophobicContact CE1-CD2 4.41Å; F204-L245 HydrophobicContact CE1-CG 4.4Å; F204-L245 HydrophobicContact CE2-CD2 4.48Å; F204-L245 HydrophobicContact CZ-CD1 3.93Å; F204-L245 HydrophobicContact CZ-CD2 4.05Å; F204-L245 HydrophobicContact CZ-CG 4.11Å; F204-L264 HydrophobicContact CE2-CD1 4.28Å; F204-L264 HydrophobicContact CE2-CD2 4.45Å; F204-F287 HydrophobicContact CE2-CZ 4.18Å; F204-F287 HydrophobicContact CZ-CE1 4.28Å; F204-F287 HydrophobicContact CZ-CE2 4.47Å; F204-F287 AromaticContact CZ-CZ 3.86Å; F204-F287 HydrophobicContact CZ-CZ 3.86Å; F204-L291 HydrophobicContact CE2-CD2 4.15Å; F204-L291 HydrophobicContact CZ-CD2 4.09Å; F204-L295 HydrophobicContact CD2-CD1 3.84Å; F204-L295 HydrophobicContact CE2-CD1 4.28Å
205P92.3Very high91.5Very high44 Ų4450.6 Ų50.629%0.28628%0.284SS..  trans-76.971.8-176.132.7-37.6000112.1E207 L208 F209 L291P205-E207 VanDerWaalsContact C-N 3.26Å; P205-E207 PolarHBondContact O-N 2.9Å; P205-L208 HydrophobicContact CB-CD1 3.9Å; P205-L208 HydrophobicContact CB-CG 4.28Å; P205-L208 HydrophobicContact CG-CD1 4.07Å; P205-L208 PolarHBondContact O-N 3.04Å; P205-F209 WeakPolarHBondContact O-CD2 3.08Å; P205-L291 HydrophobicContact CG-CD1 4.42Å; P205-L291 HydrophobicContact CG-CD2 3.74Å; P205-L291 HydrophobicContact CG-CG 4.14Å
206K90.7Very high91.3Very high33 Ų3352.2 Ų52.214%0.14329%0.294CS..G310 helixtrans-59.4-30.8-173.2-68.7170.6-153.7179.40114.1F204 L208 F209 A210 L211 P213 T215 I217F204-K206 VanDerWaalsContact C-N 3.27Å; F204-K206 HydrophobicContact CD1-CG 4.21Å; F204-K206 PolarHBondContact O-N 2.94Å; K206-L208 VanDerWaalsContact C-N 3.29Å; K206-L208 PolarHBondContact O-N 3.45Å; K206-F209 CarbonylContact O-C 3.46Å; K206-F209 PolarHBondContact O-N 2.88Å; K206-F209 VanDerWaalsContact O-N 3.08Å; K206-A210 PolarHBondContact O-N 3.05Å; K206-L211 HydrophobicContact CB-CB 4.04Å; K206-L211 HydrophobicContact CG-CB 4.49Å; K206-L211 PolarHBondContact O-N 2.89Å; K206-L211 VanDerWaalsContact O-N 3.11Å; K206-P213 PolarHBondContact NZ-O 3.17Å; K206-T215 WeakPolarHBondContact CE-O 3.22Å; K206-T215 PolarHBondContact NZ-O 3.44Å; K206-I217 HydrophobicContact CG-CG1 4.26Å
207E88.2Confident91.2Very high172 Ų17251.8 Ų51.880%0.80429%0.293SS*.G310 helixtrans-61.1-37.1-179.6-66.2171.5-167.400112.3P205 F209 A210P205-E207 VanDerWaalsContact C-N 3.26Å; P205-E207 PolarHBondContact O-N 2.9Å; E207-F209 PolarHBondContact O-N 2.8Å; E207-A210 PolarHBondContact O-N 3.23Å
208L88.4Confident91.1Very high124 Ų12454 Ų5465%0.64930%0.301SS*.G310 helixtrans-61.9-17.2177.1-64.2179.3000113.1P205 K206 L291P205-L208 HydrophobicContact CB-CD1 3.9Å; P205-L208 HydrophobicContact CB-CG 4.28Å; P205-L208 HydrophobicContact CG-CD1 4.07Å; P205-L208 PolarHBondContact O-N 3.04Å; K206-L208 VanDerWaalsContact C-N 3.29Å; K206-L208 PolarHBondContact O-N 3.45Å; L208-L291 HydrophobicContact CD1-CD1 3.93Å
209F88.8Confident91.2Very high38 Ų3853.9 Ų53.917%0.16730%0.3CS..G310 helixtrans-11915.4-176.2-56.6-76.4000112.8F204 P205 K206 E207 L211 L245 S285 F287 L291F204-F209 AromaticContact CE1-CD2 3.59Å; F204-F209 HydrophobicContact CE1-CD2 3.59Å; F204-F209 AromaticContact CE1-CE2 3.56Å; F204-F209 HydrophobicContact CE1-CE2 3.56Å; F204-F209 HydrophobicContact CZ-CD2 4.2Å; F204-F209 AromaticContact CZ-CE2 3.74Å; F204-F209 HydrophobicContact CZ-CE2 3.74Å; F204-F209 HydrophobicContact CZ-CZ 4.43Å; P205-F209 WeakPolarHBondContact O-CD2 3.08Å; K206-F209 CarbonylContact O-C 3.46Å; K206-F209 PolarHBondContact O-N 2.88Å; K206-F209 VanDerWaalsContact O-N 3.08Å; E207-F209 PolarHBondContact O-N 2.8Å; F209-L211 HydrophobicContact CB-CD1 4.16Å; F209-L211 HydrophobicContact CB-CG 4.06Å; F209-L211 PolarHBondContact O-N 3.02Å; F209-L211 VanDerWaalsContact O-N 3.11Å; F209-L245 HydrophobicContact CD2-CD1 4.43Å; F209-L245 HydrophobicContact CG-CD1 4.33Å; F209-S285 VanDerWaalsContact CD1-CB 3.44Å; F209-S285 WeakPolarHBondContact CD1-OG 3.25Å; F209-S285 WeakPolarHBondContact CE1-OG 3.14Å; F209-F287 HydrophobicContact CE1-CB 4.31Å; F209-F287 AromaticContact CE1-CD1 3.43Å; F209-F287 HydrophobicContact CE1-CD1 3.43Å; F209-F287 VanDerWaalsContact CE1-CD1 3.43Å; F209-F287 HydrophobicContact CE1-CE1 4.04Å; F209-F287 HydrophobicContact CE1-CG 4.13Å; F209-F287 HydrophobicContact CE2-CD1 4.44Å; F209-F287 HydrophobicContact CZ-CB 4.12Å; F209-F287 AromaticContact CZ-CD1 3.35Å; F209-F287 HydrophobicContact CZ-CD1 3.35Å; F209-F287 AromaticContact CZ-CE1 3.83Å; F209-F287 HydrophobicContact CZ-CE1 3.83Å; F209-F287 AromaticContact CZ-CG 3.75Å; F209-F287 HydrophobicContact CZ-CG 3.75Å; F209-L291 HydrophobicContact CE2-CD1 4.15Å; F209-L291 HydrophobicContact CE2-CD2 4.17Å; F209-L291 HydrophobicContact CZ-CD1 3.9Å; F209-L291 HydrophobicContact CZ-CD2 4.29Å
210A87Confident91.3Very high100 Ų10053.9 Ų53.983%0.82630%0.3SS*.THydrogen-bonded Turntrans52.830.4-177.400000113.7K206 E207K206-A210 PolarHBondContact O-N 3.05Å; E207-A210 PolarHBondContact O-N 3.23Å
211L86.2Confident91.4Very high24 Ų2451.2 Ų51.213%0.12629%0.287CS..  trans-91.4143.2177.5-63177.9000110.1K206 F209 I217 L245K206-L211 HydrophobicContact CB-CB 4.04Å; K206-L211 HydrophobicContact CG-CB 4.49Å; K206-L211 PolarHBondContact O-N 2.89Å; K206-L211 VanDerWaalsContact O-N 3.11Å; F209-L211 HydrophobicContact CB-CD1 4.16Å; F209-L211 HydrophobicContact CB-CG 4.06Å; F209-L211 PolarHBondContact O-N 3.02Å; F209-L211 VanDerWaalsContact O-N 3.11Å; L211-I217 HydrophobicContact CD1-CD1 3.84Å; L211-L245 HydrophobicContact CD1-CD1 3.68Å
212S87Confident91.3Very high54 Ų5453.1 Ų53.138%0.37829%0.293SS..  trans-59.1140174166.80000110.1L214 T215S212-L214 PolarHBondContact O-N 3.03Å; S212-L214 VanDerWaalsContact O-N 3.07Å; S212-L214 PolarHBondContact OG-N 3.17Å; S212-T215 WeakPolarHBondContact CB-OG1 3.44Å; S212-T215 PolarHBondContact N-OG1 2.9Å; S212-T215 WeakPolarHBondContact O-CB 3.43Å; S212-T215 PolarHBondContact O-N 2.69Å; S212-T215 PolarHBondContact O-OG1 2.97Å
213P83.8Confident91.4Very high95 Ų9549.7 Ų49.762%0.61728%0.276SS*.THydrogen-bonded Turntrans-54-29.5176.1-28.335.3000113.8K206 T215K206-P213 PolarHBondContact NZ-O 3.17Å; P213-T215 VanDerWaalsContact C-N 3.28Å; P213-T215 PolarHBondContact O-N 2.97Å
214L85Confident91.4Very high146 Ų14647.9 Ų47.976%0.76427%0.268SS*.THydrogen-bonded Turntrans-79.7-4.9178.9-62173.9000113.8S212 P216S212-L214 PolarHBondContact O-N 3.03Å; S212-L214 VanDerWaalsContact O-N 3.07Å; S212-L214 PolarHBondContact OG-N 3.17Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å
215T89.5Confident91.4Very high4 Ų449.1 Ų49.13%0.02528%0.276CS..  trans-71121.8-178.4-48.20000110.2K206 S212 P213 I217 Q259 H262K206-T215 WeakPolarHBondContact CE-O 3.22Å; K206-T215 PolarHBondContact NZ-O 3.44Å; S212-T215 WeakPolarHBondContact CB-OG1 3.44Å; S212-T215 PolarHBondContact N-OG1 2.9Å; S212-T215 WeakPolarHBondContact O-CB 3.43Å; S212-T215 PolarHBondContact O-N 2.69Å; S212-T215 PolarHBondContact O-OG1 2.97Å; P213-T215 VanDerWaalsContact C-N 3.28Å; P213-T215 PolarHBondContact O-N 2.97Å; T215-I217 HydrophobicContact CG2-CD1 4.41Å; T215-Q259 PolarHBondContact OG1-NE2 2.77Å; T215-H262 WeakPolarHBondContact CG2-CD2 3.35Å
216P91.2Very high91.5Very high33 Ų3347.3 Ų47.321%0.21426%0.264CS..  trans-73.5132.2174.330.8-33.6000110L200 L214 W218L200-P216 HydrophobicContact CD1-CB 3.85Å; L214-P216 WeakPolarHBondContact O-CD 3.31Å; P216-W218 HydrophobicContact CB-CZ2 4.3Å
217I94.9Very high91.7Very high0 Ų046.1 Ų46.10%026%0.259CS..EExtended strand (participates in β ladder)trans-108.5125.3172.8-54.3-56.5000107.5T201 F204 K206 L211 T215 L245 H262 L264T201-I217 PolarHBondContact N-O 3.42Å; F204-I217 HydrophobicContact CB-CB 4.26Å; F204-I217 HydrophobicContact CB-CG1 4.04Å; F204-I217 HydrophobicContact CB-CG2 4.45Å; F204-I217 HydrophobicContact CD1-CG1 3.93Å; F204-I217 HydrophobicContact CD1-CG2 4.46Å; F204-I217 HydrophobicContact CD2-CG2 4.08Å; F204-I217 HydrophobicContact CE2-CG2 4.5Å; F204-I217 HydrophobicContact CG-CB 4.32Å; F204-I217 HydrophobicContact CG-CG1 4.02Å; F204-I217 HydrophobicContact CG-CG2 4.06Å; K206-I217 HydrophobicContact CG-CG1 4.26Å; L211-I217 HydrophobicContact CD1-CD1 3.84Å; T215-I217 HydrophobicContact CG2-CD1 4.41Å; I217-L245 HydrophobicContact CD1-CD1 4.45Å; I217-L245 HydrophobicContact CD1-CD2 4.42Å; I217-L245 HydrophobicContact CG2-CD2 3.77Å; I217-H262 HydrophobicContact CD1-CB 3.66Å; I217-L264 HydrophobicContact CG2-CB 4.27Å
218W95.8Very high92.1Very high48 Ų4838.1 Ų38.118%0.18222%0.222CC..EExtended strand (participates in β ladder)trans-112.1108.4-175.2-63.2100.1000110.3T198 M199 L200 P216 V220 H262 Y263 L264 H383T198-W218 HydrophobicContact CG2-CB 4.29Å; M199-W218 CarbonylContact O-C 3.54Å; M199-W218 WeakPolarHBondContact O-CA 3.01Å; L200-W218 HydrophobicContact CB-CE3 3.96Å; L200-W218 HydrophobicContact CB-CH2 4.11Å; L200-W218 HydrophobicContact CB-CZ3 3.59Å; L200-W218 HydrophobicContact CD1-CD2 4.27Å; L200-W218 HydrophobicContact CD1-CE3 4.26Å; L200-W218 HydrophobicContact CD1-CH2 4.09Å; L200-W218 HydrophobicContact CD1-CZ2 4.1Å; L200-W218 HydrophobicContact CD1-CZ3 4.18Å; L200-W218 HydrophobicContact CG-CZ3 4.42Å; P216-W218 HydrophobicContact CB-CZ2 4.3Å; W218-V220 PolarHBondContact O-N 3.03Å; W218-H262 PolarHBondContact N-O 2.87Å; W218-Y263 HydrophobicContact CB-CD1 3.63Å; W218-Y263 HydrophobicContact CB-CE1 3.93Å; W218-Y263 HydrophobicContact CG-CD1 4.34Å; W218-Y263 HydrophobicContact CG-CE1 4.2Å; W218-Y263 CarbonylContact O-C 3.48Å; W218-Y263 VanDerWaalsContact O-CA 3.25Å; W218-Y263 WeakPolarHBondContact O-CA 3.37Å; W218-L264 PolarHBondContact O-N 3.34Å; W218-H383 AromaticContact CZ3-CE1 3.7Å; W218-H383 AromaticContact CZ3-ND1 3.89Å
219A97.4Very high92.5Very high0 Ų032.2 Ų32.20%019%0.191CC..EExtended strand (participates in β ladder)trans-67.5127.9169.600000110T198 M199 I235 L264 F309 L323T198-A219 CarbonylContact C-O 3.57Å; T198-A219 VanDerWaalsContact CA-O 3.32Å; T198-A219 WeakPolarHBondContact CA-O 3.28Å; M199-A219 PolarHBondContact N-O 3.06Å; M199-A219 PolarHBondContact O-N 2.8Å; A219-I235 HydrophobicContact CB-CD1 3.96Å; A219-L264 HydrophobicContact CB-CD2 4.33Å; A219-F309 HydrophobicContact CB-CE1 4.34Å; A219-F309 HydrophobicContact CB-CZ 3.71Å; A219-L323 HydrophobicContact CB-CD1 4.15Å
220V97.4Very high92.7Very high0 Ų030.8 Ų30.80%019%0.185CC..EExtended strand (participates in β ladder)trans-103113.8179-164.70000109.3Y196 F197 T198 W218 Y263 L264 I265 F273 T321 L323 L385Y196-V220 HydrophobicContact CD1-CG1 4.36Å; F197-V220 WeakPolarHBondContact O-CA 3.22Å; T198-V220 HydrophobicContact CG2-CG2 4.16Å; W218-V220 PolarHBondContact O-N 3.03Å; V220-Y263 HydrophobicContact CG2-CD1 3.94Å; V220-Y263 HydrophobicContact CG2-CG 4.28Å; V220-L264 PolarHBondContact N-O 3.14Å; V220-I265 HydrophobicContact CB-CG2 3.81Å; V220-I265 HydrophobicContact CG2-CG2 3.76Å; V220-F273 HydrophobicContact CB-CE2 4.45Å; V220-F273 HydrophobicContact CG1-CE2 3.89Å; V220-F273 HydrophobicContact CG2-CE2 4.29Å; V220-F273 HydrophobicContact CG2-CZ 4.1Å; V220-T321 HydrophobicContact CB-CG2 4.27Å; V220-T321 HydrophobicContact CG1-CG2 4.06Å; V220-T321 VanDerWaalsContact O-CB 3.26Å; V220-T321 WeakPolarHBondContact O-CB 3.46Å; V220-T321 PolarHBondContact O-OG1 2.88Å; V220-L323 WeakPolarHBondContact O-CB 3.41Å; V220-L385 HydrophobicContact CG1-CD1 3.91Å; V220-L385 HydrophobicContact CG2-CD1 3.93Å
221V96.9Very high93.1Very high0 Ų026.4 Ų26.40%015%0.149CC..EExtended strand (participates in β ladder)trans-94.3152170.3-61.50000110.3Y196 F197 M199 L229 I235 L323 H325Y196-V221 WeakPolarHBondContact CA-O 3.47Å; F197-V221 HydrophobicContact CB-CG2 3.98Å; F197-V221 PolarHBondContact N-O 3.37Å; F197-V221 WeakPolarHBondContact O-CG2 3.44Å; F197-V221 PolarHBondContact O-N 3.35Å; M199-V221 HydrophobicContact CE-CG2 4.31Å; V221-L229 HydrophobicContact CG2-CD2 4.11Å; V221-I235 HydrophobicContact CG1-CD1 3.94Å; V221-I235 HydrophobicContact CG1-CG1 3.91Å; V221-I235 HydrophobicContact CG1-CG2 4.22Å; V221-L323 WeakPolarHBondContact CA-O 3.32Å; V221-L323 HydrophobicContact CG1-CB 4.4Å; V221-H325 HydrophobicContact CB-CB 3.93Å; V221-H325 HydrophobicContact CG1-CB 3.94Å; V221-H325 HydrophobicContact CG2-CB 3.96Å
222W95.5Very high93.5Very high42 Ų4225.5 Ų25.516%0.15914%0.144CC..EExtended strand (participates in β ladder)trans-123135.8172.3177.489.4000109.9A194 V195 Y196 T224 Q319 G320 T321A194-W222 HydrophobicContact CB-CZ2 4.03Å; V195-W222 WeakPolarHBondContact O-CA 3.48Å; Y196-W222 HydrophobicContact CD1-CB 4.37Å; Y196-W222 AromaticContact CD1-CD1 3.91Å; Y196-W222 AromaticContact CD2-CD1 3.81Å; Y196-W222 HydrophobicContact CE1-CB 4.39Å; Y196-W222 AromaticContact CE1-CD1 3.6Å; Y196-W222 HydrophobicContact CE1-CG 4.28Å; Y196-W222 AromaticContact CE2-CD1 3.48Å; Y196-W222 VanDerWaalsContact CE2-CD1 3.48Å; Y196-W222 AromaticContact CE2-NE1 3.78Å; Y196-W222 AromaticContact CZ-CD1 3.38Å; Y196-W222 AromaticContact CZ-NE1 3.79Å; W222-T224 HydrophobicContact CH2-CG2 3.29Å; W222-T224 HydrophobicContact CZ2-CG2 3.69Å; W222-T224 HydrophobicContact CZ3-CG2 3.83Å; W222-Q319 HydrophobicContact CH2-CB 4.44Å; W222-Q319 HydrophobicContact CZ3-CB 4.18Å; W222-G320 VanDerWaalsContact CE3-CA 3.44Å; W222-G320 VanDerWaalsContact CG-CA 3.49Å; W222-T321 HydrophobicContact CB-CG2 4.09Å; W222-T321 PolarHBondContact N-OG1 2.67Å
223T94.9Very high93.9Very high7 Ų725.5 Ų25.54%0.04314%0.139CC..EExtended strand (participates in β ladder)trans-148.3147.1179-172.90000112.4A194 V195 T225 L229 H325A194-T223 CarbonylContact C-O 3.56Å; A194-T223 VanDerWaalsContact CA-O 3.26Å; A194-T223 WeakPolarHBondContact CA-O 3.43Å; V195-T223 PolarHBondContact N-O 3.16Å; V195-T223 PolarHBondContact O-N 2.67Å; T223-T225 PolarHBondContact OG1-N 3.44Å; T223-T225 PolarHBondContact OG1-OG1 3.36Å; T223-T225 VanDerWaalsContact OG1-OG1 3.1Å; T223-L229 HydrophobicContact CG2-CD1 4.04Å; T223-L229 HydrophobicContact CG2-CD2 3.92Å; T223-L229 HydrophobicContact CG2-CG 3.91Å; T223-H325 WeakPolarHBondContact CB-CD2 3.36Å; T223-H325 WeakPolarHBondContact CB-NE2 3.26Å; T223-H325 PolarHBondContact OG1-NE2 3.09Å
224T93.6Very high94.6Very high33 Ų3321 Ų2120%0.20211%0.11CC..SBendtrans-95.6-3.4170.565.40000112.1W222 P226 I390W222-T224 HydrophobicContact CH2-CG2 3.29Å; W222-T224 HydrophobicContact CZ2-CG2 3.69Å; W222-T224 HydrophobicContact CZ3-CG2 3.83Å; T224-P226 WeakPolarHBondContact O-CD 3.27Å; T224-I390 HydrophobicContact CG2-CD1 3.25Å; T224-I390 HydrophobicContact CG2-CG1 4.47Å
225T94.3Very high95.2Very high34 Ų3414 Ų1421%0.2097%0.074CC..  trans-120.962.4179.348.40000110T223 W227 T228T223-T225 PolarHBondContact OG1-N 3.44Å; T223-T225 PolarHBondContact OG1-OG1 3.36Å; T223-T225 VanDerWaalsContact OG1-OG1 3.1Å; T225-W227 PolarHBondContact O-N 3.19Å; T225-T228 PolarHBondContact O-N 3.12Å; T225-T228 PolarHBondContact O-OG1 3.21Å; T225-T228 PolarHBondContact OG1-OG1 3.35Å
226P95.3Very high95.6Very high7 Ų713.8 Ų13.85%0.0457%0.072CC..G310 helixtrans-56.8-13.8-173.622.1-34.5000115.4L193 V195 T224 T228 L229 P373 L377L193-P226 HydrophobicContact CB-CG 4.39Å; L193-P226 HydrophobicContact CD2-CG 4.33Å; L193-P226 HydrophobicContact CG-CG 4.47Å; L193-P226 VanDerWaalsContact O-CD 3.27Å; L193-P226 WeakPolarHBondContact O-CD 3.46Å; V195-P226 HydrophobicContact CG2-CB 3.88Å; V195-P226 HydrophobicContact CG2-CG 4.27Å; T224-P226 WeakPolarHBondContact O-CD 3.27Å; P226-T228 VanDerWaalsContact C-N 3.29Å; P226-T228 PolarHBondContact O-N 3.41Å; P226-L229 HydrophobicContact CB-CD1 4.18Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 3.41Å; P226-P373 HydrophobicContact CB-CB 4.17Å; P226-P373 HydrophobicContact CG-CB 3.88Å; P226-P373 HydrophobicContact CG-CG 4.09Å; P226-L377 HydrophobicContact CB-CD1 4.37Å
227W95.5Very high95.9Very high8 Ų812.5 Ų12.53%0.036%0.063CC..G310 helixtrans-71.2-18.117473.1-98000114.5T225 P230 H330 V349 Y355 V368 M369 P373 I405T225-W227 PolarHBondContact O-N 3.19Å; W227-P230 WeakPolarHBondContact O-CD 3.37Å; W227-H330 HydrophobicContact CH2-CB 3.86Å; W227-H330 AromaticContact CH2-CG 3.68Å; W227-H330 AromaticContact CH2-ND1 3.53Å; W227-H330 HydrophobicContact CZ3-CB 4.33Å; W227-H330 AromaticContact CZ3-CG 3.83Å; W227-H330 AromaticContact CZ3-ND1 3.79Å; W227-V349 HydrophobicContact CE3-CG2 4.48Å; W227-V349 HydrophobicContact CZ3-CG2 3.87Å; W227-Y355 WeakPolarHBondContact CA-OH 3.47Å; W227-Y355 PolarHBondContact O-OH 3.05Å; W227-V368 HydrophobicContact CB-CB 4.16Å; W227-V368 WeakPolarHBondContact CB-O 3.47Å; W227-V368 HydrophobicContact CD2-CB 3.99Å; W227-V368 HydrophobicContact CD2-CG2 3.94Å; W227-V368 HydrophobicContact CE3-CB 3.69Å; W227-V368 HydrophobicContact CE3-CG1 4.22Å; W227-V368 HydrophobicContact CE3-CG2 3.81Å; W227-V368 HydrophobicContact CG-CB 4.23Å; W227-V368 HydrophobicContact CG-CG2 4.41Å; W227-V368 HydrophobicContact CZ3-CB 4.42Å; W227-V368 HydrophobicContact CZ3-CG2 4.22Å; W227-M369 VanDerWaalsContact CD1-SD 3.59Å; W227-M369 PolarHBondContact NE1-SD 3.28Å; W227-M369 VanDerWaalsContact NE1-SD 3.4Å; W227-P373 HydrophobicContact CB-CG 3.78Å; W227-I405 HydrophobicContact CH2-CB 4.27Å; W227-I405 HydrophobicContact CZ2-CB 3.86Å; W227-I405 HydrophobicContact CZ2-CG2 3.95Å
228T96.1Very high96Very high4 Ų413.5 Ų13.53%0.0257%0.068CC..G310 helixtrans-85.5-13.5175.1520000112.1T225 P226 P230 V231 N232 H325 H330T225-T228 PolarHBondContact O-N 3.12Å; T225-T228 PolarHBondContact O-OG1 3.21Å; T225-T228 PolarHBondContact OG1-OG1 3.35Å; P226-T228 VanDerWaalsContact C-N 3.29Å; P226-T228 PolarHBondContact O-N 3.41Å; T228-P230 VanDerWaalsContact C-CD 3.43Å; T228-V231 CarbonylContact O-C 3.57Å; T228-V231 WeakPolarHBondContact O-CG2 3.35Å; T228-V231 PolarHBondContact O-N 3.37Å; T228-V231 VanDerWaalsContact O-N 3.1Å; T228-N232 PolarHBondContact O-N 3.5Å; T228-H325 PolarHBondContact OG1-CE1 2.82Å; T228-H325 PolarHBondContact OG1-NE2 3.43Å; T228-H330 HydrophobicContact CG2-CB 3.85Å
229L95.7Very high95.9Very high0 Ų012.4 Ų12.40%07%0.068CC..G310 helixtrans-57-39.7177.3-68.3172000114.6F197 M199 V221 T223 P226 V231 N232 M299 H325 F376 L377F197-L229 HydrophobicContact CB-CD1 4.14Å; F197-L229 HydrophobicContact CB-CD2 4.35Å; F197-L229 HydrophobicContact CD2-CD1 4.16Å; F197-L229 HydrophobicContact CG-CD1 4.1Å; M199-L229 HydrophobicContact CE-CD2 4.36Å; V221-L229 HydrophobicContact CG2-CD2 4.11Å; T223-L229 HydrophobicContact CG2-CD1 4.04Å; T223-L229 HydrophobicContact CG2-CD2 3.92Å; T223-L229 HydrophobicContact CG2-CG 3.91Å; P226-L229 HydrophobicContact CB-CD1 4.18Å; P226-L229 WeakPolarHBondContact O-CB 3.36Å; P226-L229 PolarHBondContact O-N 3.41Å; L229-V231 PolarHBondContact O-N 3.12Å; L229-N232 WeakPolarHBondContact O-CB 3.48Å; L229-M299 WeakPolarHBondContact O-CE 3.32Å; L229-H325 HydrophobicContact CD2-CB 4.34Å; L229-F376 HydrophobicContact CB-CD1 4.14Å; L229-F376 HydrophobicContact CB-CE1 3.55Å; L229-F376 HydrophobicContact CB-CZ 4.12Å; L229-F376 HydrophobicContact CD1-CD1 4.45Å; L229-F376 HydrophobicContact CD1-CE1 4.08Å; L229-F376 HydrophobicContact CG-CE1 4.47Å; L229-L377 HydrophobicContact CD1-CD2 4.38Å
230P94.5Very high95.9Very high7 Ų719.2 Ų19.25%0.04511%0.105CC..G310 helixtrans-66.9-23.1177.2-18.532.2000113.8W227 T228 L301 Y355 M359 L363 F376W227-P230 WeakPolarHBondContact O-CD 3.37Å; T228-P230 VanDerWaalsContact C-CD 3.43Å; P230-L301 HydrophobicContact CB-CD2 4.32Å; P230-Y355 HydrophobicContact CG-CE1 4.41Å; P230-M359 HydrophobicContact CB-CE 3.55Å; P230-L363 HydrophobicContact CB-CD1 3.58Å; P230-L363 HydrophobicContact CG-CD1 3.87Å; P230-F376 HydrophobicContact CB-CD2 4.06Å; P230-F376 HydrophobicContact CB-CE2 4.06Å; P230-F376 HydrophobicContact CG-CB 4.18Å; P230-F376 HydrophobicContact CG-CD1 4.23Å; P230-F376 HydrophobicContact CG-CD2 3.59Å; P230-F376 HydrophobicContact CG-CE2 3.92Å; P230-F376 HydrophobicContact CG-CG 3.74Å; P230-F376 HydrophobicContact CG-CZ 4.39Å
231V94.2Very high95.8Very high9 Ų920.4 Ų20.46%0.05511%0.111CC..G310 helixtrans-110.827.8-175.5-61.30000111T228 L229 A327 L348 Y355 M359T228-V231 CarbonylContact O-C 3.57Å; T228-V231 WeakPolarHBondContact O-CG2 3.35Å; T228-V231 PolarHBondContact O-N 3.37Å; T228-V231 VanDerWaalsContact O-N 3.1Å; L229-V231 PolarHBondContact O-N 3.12Å; V231-A327 HydrophobicContact CG2-CB 4.19Å; V231-A327 VanDerWaalsContact O-CB 3.3Å; V231-A327 WeakPolarHBondContact O-CB 3.5Å; V231-L348 HydrophobicContact CB-CD1 4.48Å; V231-L348 HydrophobicContact CG1-CB 3.74Å; V231-L348 HydrophobicContact CG1-CD1 4Å; V231-L348 HydrophobicContact CG1-CG 4.46Å; V231-Y355 HydrophobicContact CG1-CD1 4.4Å; V231-Y355 HydrophobicContact CG1-CE1 4.2Å; V231-M359 HydrophobicContact CG1-CE 3.88Å; V231-M359 HydrophobicContact CG1-SD 3.71Å
232N95.5Very high95.9Very high4 Ų424.5 Ų24.52%0.02113%0.13CC..  trans-76.9131.9-177.6-169.166.7000111.1M199 T228 L229 A234 Y297 M299 H325 T326M199-N232 HydrophobicContact CE-CB 4.3Å; T228-N232 PolarHBondContact O-N 3.5Å; L229-N232 WeakPolarHBondContact O-CB 3.48Å; N232-A234 PolarHBondContact ND2-O 3.42Å; N232-A234 PolarHBondContact OD1-O 3.46Å; N232-Y297 PolarHBondContact ND2-OH 3.19Å; N232-M299 HydrophobicContact CB-CE 3.94Å; N232-M299 HydrophobicContact CB-SD 3.86Å; N232-H325 VanDerWaalsContact OD1-C 3.27Å; N232-H325 WeakPolarHBondContact OD1-CA 3.42Å; N232-H325 WeakPolarHBondContact OD1-CB 3.43Å; N232-H325 PolarHBondContact OD1-ND1 3.49Å; N232-T326 PolarHBondContact OD1-N 2.87Å; N232-T326 PolarHBondContact OD1-O 2.92Å
233D95.7Very high96Very high54 Ų5422.5 Ų22.529%0.28912%0.122SC..  trans-106.9-29.4-177.1-63-67.2000112.5P308 T326 F328D233-P308 WeakPolarHBondContact O-CD 3.49Å; D233-T326 PolarHBondContact N-O 3.25Å; D233-F328 HydrophobicContact CB-CD1 4Å; D233-F328 HydrophobicContact CB-CD2 3.46Å; D233-F328 VanDerWaalsContact CB-CD2 3.46Å; D233-F328 HydrophobicContact CB-CE1 3.86Å; D233-F328 HydrophobicContact CB-CE2 3.29Å; D233-F328 HydrophobicContact CB-CG 3.8Å; D233-F328 HydrophobicContact CB-CZ 3.48Å; D233-F328 VanDerWaalsContact CB-CZ 3.48Å; D233-F328 WeakPolarHBondContact OD2-CB 3.46Å; D233-F328 WeakPolarHBondContact OD2-CD2 3.37Å; D233-F328 WeakPolarHBondContact OD2-CG 3.47Å; D233-F328 PolarHBondContact OD2-N 2.67Å
234A97.1Very high96.1Very high0 Ų022.1 Ų22.10%012%0.12CC..EExtended strand (participates in β ladder)trans-149.6171.6-177.300000112.4N232 Y297 P308 Y310 T326 F328N232-A234 PolarHBondContact ND2-O 3.42Å; N232-A234 PolarHBondContact OD1-O 3.46Å; A234-Y297 WeakPolarHBondContact CA-OH 3.24Å; A234-Y297 PolarHBondContact N-OH 3.19Å; A234-P308 VanDerWaalsContact CA-O 3.31Å; A234-P308 WeakPolarHBondContact CA-O 3.26Å; A234-P308 HydrophobicContact CB-CG 4.26Å; A234-P308 WeakPolarHBondContact CB-O 3.37Å; A234-Y310 HydrophobicContact CB-CD2 3.58Å; A234-Y310 HydrophobicContact CB-CE2 4.05Å; A234-T326 PolarHBondContact N-O 2.67Å; A234-T326 PolarHBondContact O-N 3.12Å; A234-F328 HydrophobicContact CB-CE1 3.97Å; A234-F328 HydrophobicContact CB-CZ 4Å
235I97.9Very high96.2Very high0 Ų020.6 Ų20.60%011%0.111CC..EExtended strand (participates in β ladder)trans-116.2117.5162.7-65.8173000107.8M199 A219 V221 Y297 P308 F309 Y310 L323 V324M199-I235 HydrophobicContact CB-CD1 4.34Å; M199-I235 HydrophobicContact SD-CD1 3.93Å; M199-I235 HydrophobicContact SD-CG1 4.31Å; A219-I235 HydrophobicContact CB-CD1 3.96Å; V221-I235 HydrophobicContact CG1-CD1 3.94Å; V221-I235 HydrophobicContact CG1-CG1 3.91Å; V221-I235 HydrophobicContact CG1-CG2 4.22Å; I235-Y297 HydrophobicContact CB-CD1 4.46Å; I235-Y297 HydrophobicContact CB-CE1 4.22Å; I235-Y297 HydrophobicContact CD1-CD1 3.7Å; I235-Y297 HydrophobicContact CD1-CD2 4.12Å; I235-Y297 HydrophobicContact CD1-CE1 3.93Å; I235-Y297 HydrophobicContact CD1-CE2 4.28Å; I235-Y297 HydrophobicContact CD1-CG 3.82Å; I235-Y297 HydrophobicContact CG1-CD1 3.93Å; I235-Y297 HydrophobicContact CG1-CE1 3.65Å; I235-Y297 HydrophobicContact CG1-CE2 4.4Å; I235-Y297 HydrophobicContact CG1-CG 4.46Å; I235-P308 PolarHBondContact N-O 3.42Å; I235-P308 VanDerWaalsContact N-O 3.09Å; I235-F309 HydrophobicContact CB-CD1 3.96Å; I235-F309 HydrophobicContact CB-CE1 3.91Å; I235-F309 HydrophobicContact CB-CG 4.3Å; I235-F309 HydrophobicContact CB-CZ 4.22Å; I235-F309 HydrophobicContact CD1-CE1 4.21Å; I235-F309 HydrophobicContact CD1-CE2 4.21Å; I235-F309 HydrophobicContact CD1-CZ 3.78Å; I235-F309 HydrophobicContact CG2-CD1 3.82Å; I235-F309 HydrophobicContact CG2-CE1 3.58Å; I235-F309 HydrophobicContact CG2-CZ 4.24Å; I235-F309 CarbonylContact O-C 3.42Å; I235-F309 VanDerWaalsContact O-CA 3.23Å; I235-F309 WeakPolarHBondContact O-CA 3.35Å; I235-Y310 PolarHBondContact O-N 3.41Å; I235-L323 HydrophobicContact CG2-CB 3.97Å; I235-L323 HydrophobicContact CG2-CD2 3.96Å; I235-L323 HydrophobicContact CG2-CG 4.45Å; I235-V324 CarbonylContact C-O 3.59Å; I235-V324 WeakPolarHBondContact CA-O 3.31Å
236C97.6Very high96.2Very high0 Ų019 Ų190%010%0.101CC..EExtended strand (participates in β ladder)trans-82.5137.5172.6-780000111.6Y310 V315 V324 T326C236-Y310 CarbonylContact C-O 3.54Å; C236-Y310 VanDerWaalsContact CA-O 3.24Å; C236-Y310 WeakPolarHBondContact CA-O 3.4Å; C236-V315 HydrophobicContact CB-CG2 3.67Å; C236-V324 HydrophobicContact CB-CB 4.32Å; C236-V324 PolarHBondContact N-O 3.28Å; C236-V324 PolarHBondContact O-N 2.94Å; C236-T326 WeakPolarHBondContact CB-OG1 3.34Å; C236-T326 PolarHBondContact N-OG1 3.24Å; C236-T326 PolarHBondContact SG-OG1 3.48Å
237Y97.4Very high96.1Very high6 Ų619.5 Ų19.52%0.02410%0.104CC..EExtended strand (participates in β ladder)trans-133.1159.9172.773.9-86.7000109.8S239 Y243 G289 L292 Q293 F309 Y310 H311 G312Y237-S239 WeakPolarHBondContact CE2-OG 3.19Å; Y237-Y243 WeakPolarHBondContact CA-OH 3.3Å; Y237-Y243 WeakPolarHBondContact CB-OH 3.48Å; Y237-G289 WeakPolarHBondContact CD2-O 3.35Å; Y237-G289 WeakPolarHBondContact CE2-O 3.47Å; Y237-L292 HydrophobicContact CD1-CB 3.89Å; Y237-L292 HydrophobicContact CD1-CD1 4.46Å; Y237-L292 HydrophobicContact CD2-CB 3.79Å; Y237-L292 HydrophobicContact CD2-CD1 3.9Å; Y237-L292 HydrophobicContact CD2-CG 4.33Å; Y237-L292 HydrophobicContact CE1-CB 3.95Å; Y237-L292 HydrophobicContact CE2-CB 3.85Å; Y237-L292 HydrophobicContact CG-CB 3.83Å; Y237-L292 HydrophobicContact CG-CD1 3.76Å; Y237-L292 HydrophobicContact CG-CG 4.42Å; Y237-Q293 WeakPolarHBondContact OH-CA 3.39Å; Y237-Q293 WeakPolarHBondContact OH-CB 3.4Å; Y237-Q293 PolarHBondContact OH-N 3.17Å; Y237-F309 HydrophobicContact CD1-CB 4.01Å; Y237-F309 HydrophobicContact CD1-CD1 4.23Å; Y237-F309 HydrophobicContact CE1-CB 4.03Å; Y237-Y310 WeakPolarHBondContact CD1-O 3.46Å; Y237-Y310 VanDerWaalsContact CE1-C 3.44Å; Y237-Y310 WeakPolarHBondContact CE1-O 3.34Å; Y237-Y310 PolarHBondContact N-O 3.15Å; Y237-H311 CarbonylContact O-C 3.54Å; Y237-H311 WeakPolarHBondContact O-CA 3.42Å; Y237-G312 PolarHBondContact O-N 3.17Å
238N96.7Very high95.6Very high20 Ų2019.6 Ų19.611%0.10711%0.105CC..  trans-107.3119.4174.9-170.9-27000110N240 L241 Y243 V315N238-N240 PolarHBondContact O-N 3.48Å; N238-N240 VanDerWaalsContact O-N 3.12Å; N238-N240 WeakPolarHBondContact OD1-CB 3.1Å; N238-N240 PolarHBondContact OD1-N 2.87Å; N238-L241 HydrophobicContact CB-CB 4.42Å; N238-L241 HydrophobicContact CB-CD1 3.77Å; N238-L241 HydrophobicContact CB-CG 3.82Å; N238-L241 PolarHBondContact O-N 3.42Å; N238-Y243 PolarHBondContact N-OH 3.48Å; N238-Y243 WeakPolarHBondContact O-CE2 2.93Å; N238-V315 HydrophobicContact CB-CB 4.07Å; N238-V315 HydrophobicContact CB-CG1 4.34Å; N238-V315 WeakPolarHBondContact CB-O 3.46Å; N238-V315 PolarHBondContact ND2-O 2.98Å
239S95.7Very high94.5Very high26 Ų2623.2 Ų23.218%0.18213%0.127CC..THydrogen-bonded Turntrans-62.8-22-176.5-57.60000113.4Y237 L241 H311Y237-S239 WeakPolarHBondContact CE2-OG 3.19Å; S239-L241 VanDerWaalsContact C-N 3.34Å; S239-H311 PolarHBondContact N-CE1 3.03Å; S239-H311 PolarHBondContact N-ND1 3.09Å; S239-H311 PolarHBondContact OG-ND1 3.27Å
240N95.9Very high92.6Very high143 Ų14329.2 Ų29.277%0.76515%0.15SC*.THydrogen-bonded Turntrans-83.6-8.9179.1-61.5-31.7000113.2N238N238-N240 PolarHBondContact O-N 3.48Å; N238-N240 VanDerWaalsContact O-N 3.12Å; N238-N240 WeakPolarHBondContact OD1-CB 3.1Å; N238-N240 PolarHBondContact OD1-N 2.87Å
241L96.4Very high90.5Very high25 Ų2532.3 Ų32.313%0.13118%0.182CC..SBendtrans-91.8160.8177.9-63-179.3000111.8N238 S239 Y243 G289 C322N238-L241 HydrophobicContact CB-CB 4.42Å; N238-L241 HydrophobicContact CB-CD1 3.77Å; N238-L241 HydrophobicContact CB-CG 3.82Å; N238-L241 PolarHBondContact O-N 3.42Å; S239-L241 VanDerWaalsContact C-N 3.34Å; L241-Y243 HydrophobicContact CB-CE2 3.93Å; L241-G289 WeakPolarHBondContact O-CA 3.44Å; L241-G289 PolarHBondContact O-N 3Å; L241-C322 HydrophobicContact CD1-CB 4.18Å
242Q97.6Very high88.1Confident85 Ų8541.7 Ų41.740%0.39722%0.222SC..EExtended strand (participates in β ladder)trans-94.6141.9171.4-68.3-67.3-44.700110.3L267 F287Q242-L267 HydrophobicContact CB-CB 3.97Å; Q242-L267 HydrophobicContact CB-CD2 3.92Å; Q242-L267 WeakPolarHBondContact O-CB 3.28Å; Q242-L267 PolarHBondContact O-N 3.16Å; Q242-F287 PolarHBondContact OE1-O 3.37Å
243Y97.8Very high85.4Confident0 Ų051.5 Ų51.50%027%0.265CS..EExtended strand (participates in β ladder)trans-122.7161.6179.1-69.9-95.3000110.2Y237 N238 L241 I265 T286 F287 G289 L292 C322 L323Y237-Y243 WeakPolarHBondContact CA-OH 3.3Å; Y237-Y243 WeakPolarHBondContact CB-OH 3.48Å; N238-Y243 PolarHBondContact N-OH 3.48Å; N238-Y243 WeakPolarHBondContact O-CE2 2.93Å; L241-Y243 HydrophobicContact CB-CE2 3.93Å; Y243-I265 WeakPolarHBondContact CA-O 3.36Å; Y243-T286 CarbonylContact O-C 3.54Å; Y243-T286 VanDerWaalsContact O-CA 3.3Å; Y243-T286 WeakPolarHBondContact O-CA 3.26Å; Y243-F287 PolarHBondContact N-O 2.85Å; Y243-F287 PolarHBondContact O-N 3.05Å; Y243-G289 VanDerWaalsContact CD2-CA 3.41Å; Y243-L292 HydrophobicContact CD1-CD1 3.69Å; Y243-L292 HydrophobicContact CD2-CD1 3.81Å; Y243-L292 HydrophobicContact CE1-CD1 3.75Å; Y243-L292 HydrophobicContact CE2-CD1 3.85Å; Y243-L292 HydrophobicContact CG-CD1 3.73Å; Y243-C322 HydrophobicContact CE1-CB 4.22Å; Y243-C322 WeakPolarHBondContact CE1-O 3.33Å; Y243-C322 PolarHBondContact OH-O 2.72Å; Y243-L323 HydrophobicContact CD1-CD2 4.25Å; Y243-L323 HydrophobicContact CE1-CD2 3.6Å; Y243-L323 HydrophobicContact CE1-CG 4Å
244C97Very high82.9Confident0 Ų059.3 Ų59.30%029%0.291CS..EExtended strand (participates in β ladder)trans-144.1151179.465.70000112.1I265 L267 V283 S285 T286C244-I265 PolarHBondContact N-O 3.17Å; C244-I265 PolarHBondContact O-N 2.97Å; C244-I265 VanDerWaalsContact O-N 3.13Å; C244-I265 VanDerWaalsContact SG-CG1 3.56Å; C244-L267 HydrophobicContact CB-CD1 4.23Å; C244-V283 HydrophobicContact CB-CG1 4.18Å; C244-S285 CarbonylContact C-O 3.56Å; C244-S285 WeakPolarHBondContact CA-O 3.1Å; C244-S285 WeakPolarHBondContact CB-O 3.38Å; C244-T286 HydrophobicContact CB-CG2 4Å
245L96.3Very high80.5Confident0 Ų069.9 Ų69.90%034%0.336CS..EExtended strand (participates in β ladder)trans-92.1132163.3-72.5178.6000108.5F204 F209 L211 I217 Y263 L264 V284 S285 F287F204-L245 HydrophobicContact CE1-CD1 3.74Å; F204-L245 HydrophobicContact CE1-CD2 4.41Å; F204-L245 HydrophobicContact CE1-CG 4.4Å; F204-L245 HydrophobicContact CE2-CD2 4.48Å; F204-L245 HydrophobicContact CZ-CD1 3.93Å; F204-L245 HydrophobicContact CZ-CD2 4.05Å; F204-L245 HydrophobicContact CZ-CG 4.11Å; F209-L245 HydrophobicContact CD2-CD1 4.43Å; F209-L245 HydrophobicContact CG-CD1 4.33Å; L211-L245 HydrophobicContact CD1-CD1 3.68Å; I217-L245 HydrophobicContact CD1-CD1 4.45Å; I217-L245 HydrophobicContact CD1-CD2 4.42Å; I217-L245 HydrophobicContact CG2-CD2 3.77Å; L245-Y263 CarbonylContact C-O 3.59Å; L245-Y263 WeakPolarHBondContact CA-O 3.46Å; L245-L264 HydrophobicContact CD2-CB 4.09Å; L245-L264 HydrophobicContact CD2-CD1 4.3Å; L245-V284 HydrophobicContact CB-CB 4.25Å; L245-V284 WeakPolarHBondContact O-CB 3.31Å; L245-V284 PolarHBondContact O-N 2.99Å; L245-S285 PolarHBondContact N-O 3.48Å; L245-S285 PolarHBondContact O-N 3.03Å; L245-F287 HydrophobicContact CG-CE1 3.96Å; L245-F287 HydrophobicContact CG-CZ 4.33Å
246V94.9Very high78Confident0 Ų074.4 Ų74.40%036%0.364CS..EExtended strand (participates in β ladder)trans-125.4154177.6-55.60000111.7H262 Y263 I265 L270 F273 V281 Y282 V283V246-H262 WeakPolarHBondContact O-CA 3.33Å; V246-Y263 PolarHBondContact N-O 3.38Å; V246-Y263 PolarHBondContact O-N 2.93Å; V246-I265 HydrophobicContact CG1-CD1 3.97Å; V246-I265 HydrophobicContact CG1-CG1 4.22Å; V246-I265 HydrophobicContact CG2-CD1 4.09Å; V246-I265 HydrophobicContact CG2-CG1 4.42Å; V246-L270 HydrophobicContact CG1-CD1 3.75Å; V246-F273 HydrophobicContact CG2-CD1 4.45Å; V246-F273 HydrophobicContact CG2-CE1 3.88Å; V246-V281 HydrophobicContact CB-CG1 3.47Å; V246-V281 VanDerWaalsContact CB-CG1 3.47Å; V246-V281 HydrophobicContact CG1-CG1 3.8Å; V246-V281 HydrophobicContact CG2-CG1 3.65Å; V246-Y282 CarbonylContact C-O 3.21Å; V246-Y282 WeakPolarHBondContact CA-O 3.27Å; V246-V283 HydrophobicContact CG1-CG2 4.28Å
247T92.1Very high75.7Confident18 Ų1885 Ų8511%0.1141%0.41CS..EExtended strand (participates in β ladder)trans-126.3156172.6-164.90000111.3D261 Y282 V284T247-D261 PolarHBondContact OG1-O 2.77Å; T247-Y282 PolarHBondContact N-O 2.82Å; T247-Y282 PolarHBondContact O-N 3Å; T247-V284 HydrophobicContact CG2-CG2 3.99Å
248L86Confident73.5Confident11 Ų1192.2 Ų92.26%0.05844%0.442CS..EExtended strand (participates in β ladder)trans-115130.1-174.7-53.3175.8000108.7R250 Y263 L277 V281L248-R250 PolarHBondContact O-N 3.23Å; L248-Y263 HydrophobicContact CB-CE2 4.45Å; L248-Y263 HydrophobicContact CD1-CD2 3.71Å; L248-Y263 HydrophobicContact CD1-CE2 3.2Å; L248-Y263 HydrophobicContact CG-CD2 3.85Å; L248-Y263 HydrophobicContact CG-CE2 3.62Å; L248-L277 HydrophobicContact CD1-CD1 4Å; L248-L277 HydrophobicContact CD2-CD1 3.75Å; L248-V281 HydrophobicContact CD2-CB 4.32Å; L248-V281 HydrophobicContact CD2-CG1 4.27Å; L248-V281 HydrophobicContact CD2-CG2 3.71Å
249V72.3Confident71.8Confident80 Ų8095.3 Ų95.349%0.48546%0.456SS..PPolyproline II helixtrans-67.2125.3178.5170.80000110.1G251 Y282V249-G251 PolarHBondContact O-N 3.4Å; V249-Y282 HydrophobicContact CB-CE2 4.32Å; V249-Y282 HydrophobicContact CG2-CD2 3.76Å; V249-Y282 HydrophobicContact CG2-CE2 3.17Å
250R56.3Low70.7Confident126 Ų12697.9 Ų97.948%0.47547%0.467SS..PPolyproline II helixtrans-73.5117.3163.3-75.4-174.2173132.55108.1L248 K252 K258 Q259 D261L248-R250 PolarHBondContact O-N 3.23Å; R250-K252 PolarHBondContact O-N 2.85Å; R250-K258 PolarHBondContact NH1-O 2.96Å; R250-Q259 PolarHBondContact NH1-O 3.24Å; R250-Q259 VanDerWaalsContact NH1-O 3.1Å; R250-D261 IonicContact NH2-OD2 3.9Å; R250-D261 PolarHBondContact NH2-OD2 3.02Å
251G49.1Very low70.1Confident71 Ų7193.4 Ų93.473%0.73244%0.443SS*.SBendtrans-48.3136.2173.300000112V249V249-G251 PolarHBondContact O-N 3.4Å
252K43.9Very low70Confident206 Ų20693.2 Ų93.290%0.89644%0.441SS*.SBendtrans36.8106.7175.5-69.6-175.4178.8178.20117.2R250 R254R250-K252 PolarHBondContact O-N 2.85Å; K252-R254 PolarHBondContact O-N 3.49Å
253K40Very low69.9Low210 Ų21090.3 Ų90.391%0.91343%0.427SS*.  trans4.880.2159.4-65.5-176.3179.6178.60116.2
254R42.6Very low69.9Low219 Ų21990.3 Ų90.383%0.82643%0.427SS*.  trans-78.5126.2151.8-90.2-179.6106.9140.60.8108.1K252 T256K252-R254 PolarHBondContact O-N 3.49Å; R254-T256 PolarHBondContact O-N 2.95Å
255K47.5Very low69.9Low222 Ų22290.3 Ų90.397%0.96543%0.427SS*.SBendtrans-67.17.6179.6-80.8-173.1174.6-179.90115
256T46Very low69.9Low95 Ų9590.3 Ų90.358%0.58343%0.427SS*.SBendtrans-97.4123.6174.939.40000109.9R254 K258R254-T256 PolarHBondContact O-N 2.95Å; T256-K258 PolarHBondContact O-N 3.09Å
257K48.5Very low70Confident223 Ų22393 Ų9397%0.9744%0.441SS*.  trans-61.459.5168.4-77.9-177.1172.9179.50110.9Q259K257-Q259 PolarHBondContact O-N 3.38Å
258K51.3Low70.1Confident157 Ų15796.1 Ų96.168%0.68346%0.457SS*.  trans-77123.3167.6-102.7-172.2169.8-176.10107.5R250 T256R250-K258 PolarHBondContact NH1-O 2.96Å; T256-K258 PolarHBondContact O-N 3.09Å
259Q60.5Low70.6Confident85 Ų8595.6 Ų95.640%0.39745%0.454SS..  trans-45.5137.5173.5-155.9153.6-1.700110.4T215 R250 K257T215-Q259 PolarHBondContact OG1-NE2 2.77Å; R250-Q259 PolarHBondContact NH1-O 3.24Å; R250-Q259 VanDerWaalsContact NH1-O 3.1Å; K257-Q259 PolarHBondContact O-N 3.38Å
260L73.3Confident71.6Confident79 Ų7993.6 Ų93.641%0.41444%0.441SS..  trans-77.3140.6175.2-74.5164.7000108.4H262L260-H262 PolarHBondContact O-CD2 2.76Å; L260-H262 VanDerWaalsContact O-CD2 3.29Å
261D83.6Confident73.4Confident50 Ų5095.1 Ų95.127%0.26745%0.453SS..  trans-77.3138171.1-62.8-59.3000108.6T247 R250 Y263T247-D261 PolarHBondContact OG1-O 2.77Å; R250-D261 IonicContact NH2-OD2 3.9Å; R250-D261 PolarHBondContact NH2-OD2 3.02Å; D261-Y263 HydrophobicContact CB-CE2 3.97Å
262H93.1Very high75.6Confident20 Ų2095.6 Ų95.69%0.09343%0.433CS..EExtended strand (participates in β ladder)trans-110.8134.5176.2-67.8-101.6000109.2T215 I217 W218 V246 L260T215-H262 WeakPolarHBondContact CG2-CD2 3.35Å; I217-H262 HydrophobicContact CD1-CB 3.66Å; W218-H262 PolarHBondContact N-O 2.87Å; V246-H262 WeakPolarHBondContact O-CA 3.33Å; L260-H262 PolarHBondContact O-CD2 2.76Å; L260-H262 VanDerWaalsContact O-CD2 3.29Å
263Y96Very high78Confident25 Ų2585.8 Ų85.810%0.09839%0.39CS..EExtended strand (participates in β ladder)trans-115.3135.1-178.1-58.8-83.2000110.1T198 W218 V220 L245 V246 L248 D261 L385T198-Y263 HydrophobicContact CG2-CD1 3.92Å; T198-Y263 HydrophobicContact CG2-CE1 3.83Å; W218-Y263 HydrophobicContact CB-CD1 3.63Å; W218-Y263 HydrophobicContact CB-CE1 3.93Å; W218-Y263 HydrophobicContact CG-CD1 4.34Å; W218-Y263 HydrophobicContact CG-CE1 4.2Å; W218-Y263 CarbonylContact O-C 3.48Å; W218-Y263 VanDerWaalsContact O-CA 3.25Å; W218-Y263 WeakPolarHBondContact O-CA 3.37Å; V220-Y263 HydrophobicContact CG2-CD1 3.94Å; V220-Y263 HydrophobicContact CG2-CG 4.28Å; L245-Y263 CarbonylContact C-O 3.59Å; L245-Y263 WeakPolarHBondContact CA-O 3.46Å; V246-Y263 PolarHBondContact N-O 3.38Å; V246-Y263 PolarHBondContact O-N 2.93Å; L248-Y263 HydrophobicContact CB-CE2 4.45Å; L248-Y263 HydrophobicContact CD1-CD2 3.71Å; L248-Y263 HydrophobicContact CD1-CE2 3.2Å; L248-Y263 HydrophobicContact CG-CD2 3.85Å; L248-Y263 HydrophobicContact CG-CE2 3.62Å; D261-Y263 HydrophobicContact CB-CE2 3.97Å; Y263-L385 HydrophobicContact CD1-CD1 3.86Å; Y263-L385 HydrophobicContact CE1-CD1 3.86Å; Y263-L385 HydrophobicContact CE1-CD2 3.81Å; Y263-L385 HydrophobicContact CE1-CG 4.4Å
264L97.2Very high80.6Confident0 Ų079.6 Ų79.60%037%0.365CS..EExtended strand (participates in β ladder)trans-98.3123.7177171.272.2000109.3F204 I217 W218 A219 V220 L245 F287 L292 F309 L323F204-L264 HydrophobicContact CE2-CD1 4.28Å; F204-L264 HydrophobicContact CE2-CD2 4.45Å; I217-L264 HydrophobicContact CG2-CB 4.27Å; W218-L264 PolarHBondContact O-N 3.34Å; A219-L264 HydrophobicContact CB-CD2 4.33Å; V220-L264 PolarHBondContact N-O 3.14Å; L245-L264 HydrophobicContact CD2-CB 4.09Å; L245-L264 HydrophobicContact CD2-CD1 4.3Å; L264-F287 HydrophobicContact CD1-CE2 3.96Å; L264-F287 HydrophobicContact CD1-CZ 3.46Å; L264-F287 VanDerWaalsContact CD1-CZ 3.46Å; L264-L292 HydrophobicContact CD1-CD2 4.08Å; L264-L292 HydrophobicContact CD2-CD2 3.73Å; L264-F309 HydrophobicContact CD2-CE1 4.29Å; L264-F309 HydrophobicContact CD2-CZ 4.47Å; L264-L323 HydrophobicContact CD2-CD1 4.14Å; L264-L323 HydrophobicContact CG-CD1 3.99Å; L264-L323 WeakPolarHBondContact O-CD1 3.37Å
265I97.1Very high83Confident0 Ų073.7 Ų73.70%035%0.353CS..EExtended strand (participates in β ladder)trans-144.6163.4177.863.3176.2000110.9V220 Y243 C244 V246 L270 F273 T321V220-I265 HydrophobicContact CB-CG2 3.81Å; V220-I265 HydrophobicContact CG2-CG2 3.76Å; Y243-I265 WeakPolarHBondContact CA-O 3.36Å; C244-I265 PolarHBondContact N-O 3.17Å; C244-I265 PolarHBondContact O-N 2.97Å; C244-I265 VanDerWaalsContact O-N 3.13Å; C244-I265 VanDerWaalsContact SG-CG1 3.56Å; V246-I265 HydrophobicContact CG1-CD1 3.97Å; V246-I265 HydrophobicContact CG1-CG1 4.22Å; V246-I265 HydrophobicContact CG2-CD1 4.09Å; V246-I265 HydrophobicContact CG2-CG1 4.42Å; I265-L270 HydrophobicContact CD1-CD1 4.07Å; I265-F273 HydrophobicContact CD1-CB 4.1Å; I265-F273 HydrophobicContact CD1-CD1 3.52Å; I265-F273 HydrophobicContact CD1-CE1 4.12Å; I265-F273 HydrophobicContact CD1-CG 3.95Å; I265-F273 HydrophobicContact CG2-CD1 4.44Å; I265-F273 HydrophobicContact CG2-CE1 4.37Å; I265-F273 HydrophobicContact CG2-CG 4.5Å; I265-F273 HydrophobicContact CG2-CZ 4.38Å; I265-T321 HydrophobicContact CG2-CG2 4.3Å
266G96.9Very high85.1Confident0 Ų063.5 Ų63.50%031%0.31CS..EExtended strand (participates in β ladder)trans-67140.2166.500000111.7D268 S269 T321G266-D268 VanDerWaalsContact C-N 3.31Å; G266-D268 PolarHBondContact O-N 3.45Å; G266-S269 WeakPolarHBondContact O-CB 3.11Å; G266-S269 PolarHBondContact O-N 3.48Å; G266-S269 PolarHBondContact O-OG 3.49Å; G266-T321 PolarHBondContact N-O 3.24Å
267L96.6Very high87.3Confident55 Ų5559.8 Ų59.829%0.28829%0.287SS..G310 helixtrans-59.2-43.3-179-178.460.3000111.7Q242 C244 S269 L270 T286Q242-L267 HydrophobicContact CB-CB 3.97Å; Q242-L267 HydrophobicContact CB-CD2 3.92Å; Q242-L267 WeakPolarHBondContact O-CB 3.28Å; Q242-L267 PolarHBondContact O-N 3.16Å; C244-L267 HydrophobicContact CB-CD1 4.23Å; L267-S269 PolarHBondContact O-N 3.3Å; L267-S269 VanDerWaalsContact O-N 3.12Å; L267-L270 WeakPolarHBondContact O-CB 3.17Å; L267-L270 PolarHBondContact O-N 3.19Å; L267-T286 HydrophobicContact CD1-CG2 3.93Å; L267-T286 HydrophobicContact CD2-CG2 4.34Å
268D95.3Very high89.3Confident85 Ų8558.4 Ų58.446%0.45528%0.28SS..G310 helixtrans-65.8-15.6179.2-63.6-12.8000113.3G266 S317G266-D268 VanDerWaalsContact C-N 3.31Å; G266-D268 PolarHBondContact O-N 3.45Å; D268-S317 WeakPolarHBondContact OD2-CB 2.89Å
269S95.5Very high91.1Very high0 Ų055.1 Ų55.10%026%0.264CS..G310 helixtrans-89-6176.476.10000114G266 L267 E271 R272 F273 G320 T321G266-S269 WeakPolarHBondContact O-CB 3.11Å; G266-S269 PolarHBondContact O-N 3.48Å; G266-S269 PolarHBondContact O-OG 3.49Å; L267-S269 PolarHBondContact O-N 3.3Å; L267-S269 VanDerWaalsContact O-N 3.12Å; S269-E271 PolarHBondContact O-N 2.86Å; S269-R272 PolarHBondContact O-N 3.3Å; S269-F273 VanDerWaalsContact O-CB 3.26Å; S269-F273 WeakPolarHBondContact O-CB 3.43Å; S269-F273 PolarHBondContact O-N 3.31Å; S269-G320 WeakPolarHBondContact CB-O 3.49Å; S269-T321 WeakPolarHBondContact OG-CA 3.45Å; S269-T321 PolarHBondContact OG-O 3.42Å
270L94.5Very high92.4Very high38 Ų3853.9 Ų53.920%0.19926%0.263CS..Hα-helixtrans-55.5-47.7-170.1-179.466.8000113.1V246 I265 L267 F273 Q274 V281 V283V246-L270 HydrophobicContact CG1-CD1 3.75Å; I265-L270 HydrophobicContact CD1-CD1 4.07Å; L267-L270 WeakPolarHBondContact O-CB 3.17Å; L267-L270 PolarHBondContact O-N 3.19Å; L270-F273 PolarHBondContact O-N 3.32Å; L270-Q274 WeakPolarHBondContact O-CB 3.28Å; L270-Q274 PolarHBondContact O-N 3.45Å; L270-V281 HydrophobicContact CD1-CB 4.42Å; L270-V281 HydrophobicContact CD1-CG1 3.76Å; L270-V283 HydrophobicContact CD1-CG2 3.98Å; L270-V283 HydrophobicContact CD2-CG2 3.47Å; L270-V283 VanDerWaalsContact CD2-CG2 3.47Å; L270-V283 HydrophobicContact CG-CG2 4.4Å
271E94Very high93.3Very high158 Ų15850.8 Ų50.874%0.73825%0.247SC*.Hα-helixtrans-66.9-44-178.8-174179.1-173.900111.9S269 F273 Q274 T275S269-E271 PolarHBondContact O-N 2.86Å; E271-F273 VanDerWaalsContact C-N 3.35Å; E271-Q274 PolarHBondContact O-N 3.11Å; E271-T275 WeakPolarHBondContact O-CB 3.36Å; E271-T275 PolarHBondContact O-N 2.92Å; E271-T275 PolarHBondContact O-OG1 2.97Å
272R93.9Very high93.7Very high80 Ų8054.2 Ų54.230%0.30226%0.258SS..Hα-helixtrans-61.5-45.6175.5-66.6-170.3-60.6-98.74110.9S269 T275 A276 S317 K318 G320S269-R272 PolarHBondContact O-N 3.3Å; R272-T275 PolarHBondContact O-N 3.36Å; R272-A276 WeakPolarHBondContact O-CB 3.2Å; R272-A276 PolarHBondContact O-N 3.36Å; R272-S317 PolarHBondContact NH1-O 3.02Å; R272-S317 PolarHBondContact NH2-O 3.33Å; R272-K318 PolarHBondContact NH1-O 2.87Å; R272-G320 PolarHBondContact NE-O 3.04Å; R272-G320 PolarHBondContact NH2-O 3.35Å
273F94.7Very high93.7Very high1 Ų156.4 Ų56.40%0.00427%0.272CS..Hα-helixtrans-62.1-46.2178.2-177.8-115.2000111.7Y196 V220 V246 I265 S269 L270 E271 T275 A276 L277 V281 T321 L385Y196-F273 AromaticContact CD1-CD2 3.74Å; Y196-F273 HydrophobicContact CD1-CD2 3.74Å; Y196-F273 HydrophobicContact CD1-CE2 4.1Å; Y196-F273 AromaticContact CE1-CD2 3.93Å; Y196-F273 HydrophobicContact CE1-CD2 3.93Å; V220-F273 HydrophobicContact CB-CE2 4.45Å; V220-F273 HydrophobicContact CG1-CE2 3.89Å; V220-F273 HydrophobicContact CG2-CE2 4.29Å; V220-F273 HydrophobicContact CG2-CZ 4.1Å; V246-F273 HydrophobicContact CG2-CD1 4.45Å; V246-F273 HydrophobicContact CG2-CE1 3.88Å; I265-F273 HydrophobicContact CD1-CB 4.1Å; I265-F273 HydrophobicContact CD1-CD1 3.52Å; I265-F273 HydrophobicContact CD1-CE1 4.12Å; I265-F273 HydrophobicContact CD1-CG 3.95Å; I265-F273 HydrophobicContact CG2-CD1 4.44Å; I265-F273 HydrophobicContact CG2-CE1 4.37Å; I265-F273 HydrophobicContact CG2-CG 4.5Å; I265-F273 HydrophobicContact CG2-CZ 4.38Å; S269-F273 VanDerWaalsContact O-CB 3.26Å; S269-F273 WeakPolarHBondContact O-CB 3.43Å; S269-F273 PolarHBondContact O-N 3.31Å; L270-F273 PolarHBondContact O-N 3.32Å; E271-F273 VanDerWaalsContact C-N 3.35Å; F273-T275 VanDerWaalsContact C-N 3.32Å; F273-T275 PolarHBondContact O-N 2.97Å; F273-A276 PolarHBondContact O-N 2.83Å; F273-L277 HydrophobicContact CD1-CD1 4Å; F273-L277 HydrophobicContact CD2-CD1 4.3Å; F273-L277 HydrophobicContact CD2-CG 4.32Å; F273-L277 HydrophobicContact CE1-CD1 3.48Å; F273-L277 VanDerWaalsContact CE1-CD1 3.48Å; F273-L277 HydrophobicContact CE1-CG 4.46Å; F273-L277 HydrophobicContact CE2-CD1 3.79Å; F273-L277 HydrophobicContact CE2-CD2 4.22Å; F273-L277 HydrophobicContact CE2-CG 4.04Å; F273-L277 HydrophobicContact CG-CD1 4.41Å; F273-L277 HydrophobicContact CZ-CD1 3.39Å; F273-L277 HydrophobicContact CZ-CD2 4.49Å; F273-L277 HydrophobicContact CZ-CG 4.17Å; F273-L277 VanDerWaalsContact O-CG 3.28Å; F273-L277 WeakPolarHBondContact O-CG 3.2Å; F273-L277 PolarHBondContact O-N 2.93Å; F273-V281 HydrophobicContact CD1-CG1 4.26Å; F273-V281 HydrophobicContact CD1-CG2 4.2Å; F273-V281 HydrophobicContact CE1-CG1 4.4Å; F273-V281 HydrophobicContact CE1-CG2 4.43Å; F273-T321 HydrophobicContact CD2-CG2 4.3Å; F273-L385 HydrophobicContact CE2-CD1 3.98Å; F273-L385 HydrophobicContact CZ-CD1 3.85Å
274Q94.1Very high93.5Very high80 Ų8058.2 Ų58.237%0.37429%0.285SS..Hα-helixtrans-59.7-43.3175.2175.9168.1-29.700112.1L270 E271 L277 K278 V281L270-Q274 WeakPolarHBondContact O-CB 3.28Å; L270-Q274 PolarHBondContact O-N 3.45Å; E271-Q274 PolarHBondContact O-N 3.11Å; Q274-L277 PolarHBondContact O-N 3.49Å; Q274-K278 PolarHBondContact O-N 3.46Å; Q274-K278 VanDerWaalsContact O-N 3.11Å; Q274-V281 HydrophobicContact CB-CB 4.15Å; Q274-V281 HydrophobicContact CB-CG2 3.69Å; Q274-V281 HydrophobicContact CG-CB 4.4Å; Q274-V281 HydrophobicContact CG-CG2 4.02Å
275T93.1Very high93.3Very high94 Ų9459.2 Ų59.258%0.57729%0.292SS*.Hα-helixtrans-62.3-47.6178-58.80000111.2E271 R272 F273 L277 K278E271-T275 WeakPolarHBondContact O-CB 3.36Å; E271-T275 PolarHBondContact O-N 2.92Å; E271-T275 PolarHBondContact O-OG1 2.97Å; R272-T275 PolarHBondContact O-N 3.36Å; F273-T275 VanDerWaalsContact C-N 3.32Å; F273-T275 PolarHBondContact O-N 2.97Å; T275-L277 VanDerWaalsContact C-N 3.32Å; T275-L277 PolarHBondContact O-N 3.19Å; T275-K278 WeakPolarHBondContact O-CG 3.26Å; T275-K278 PolarHBondContact O-N 3.13Å; T275-K278 VanDerWaalsContact O-N 3.15Å
276A92.6Very high93.3Very high8 Ų862.9 Ų62.97%0.06632%0.315CS..Hα-helixtrans-61.7-39.4179.700000112.9Y196 R272 F273 K278 A386 E388Y196-A276 HydrophobicContact CD2-CB 4.16Å; Y196-A276 HydrophobicContact CE1-CB 4.34Å; Y196-A276 HydrophobicContact CE2-CB 3.41Å; Y196-A276 VanDerWaalsContact CE2-CB 3.41Å; R272-A276 WeakPolarHBondContact O-CB 3.2Å; R272-A276 PolarHBondContact O-N 3.36Å; F273-A276 PolarHBondContact O-N 2.83Å; A276-K278 VanDerWaalsContact C-N 3.33Å; A276-A386 HydrophobicContact CB-CB 4.36Å; A276-E388 WeakPolarHBondContact CA-OE1 3.29Å; A276-E388 WeakPolarHBondContact CB-OE1 3.4Å
277L92Very high93.3Very high18 Ų1863.3 Ų63.39%0.09432%0.317CS..Hα-helixtrans-76.5-18178.5-64.3-176.2000114L248 F273 Q274 T275 R279 V281 L385 A386L248-L277 HydrophobicContact CD1-CD1 4Å; L248-L277 HydrophobicContact CD2-CD1 3.75Å; F273-L277 HydrophobicContact CD1-CD1 4Å; F273-L277 HydrophobicContact CD2-CD1 4.3Å; F273-L277 HydrophobicContact CD2-CG 4.32Å; F273-L277 HydrophobicContact CE1-CD1 3.48Å; F273-L277 VanDerWaalsContact CE1-CD1 3.48Å; F273-L277 HydrophobicContact CE1-CG 4.46Å; F273-L277 HydrophobicContact CE2-CD1 3.79Å; F273-L277 HydrophobicContact CE2-CD2 4.22Å; F273-L277 HydrophobicContact CE2-CG 4.04Å; F273-L277 HydrophobicContact CG-CD1 4.41Å; F273-L277 HydrophobicContact CZ-CD1 3.39Å; F273-L277 HydrophobicContact CZ-CD2 4.49Å; F273-L277 HydrophobicContact CZ-CG 4.17Å; F273-L277 VanDerWaalsContact O-CG 3.28Å; F273-L277 WeakPolarHBondContact O-CG 3.2Å; F273-L277 PolarHBondContact O-N 2.93Å; Q274-L277 PolarHBondContact O-N 3.49Å; T275-L277 VanDerWaalsContact C-N 3.32Å; T275-L277 PolarHBondContact O-N 3.19Å; L277-R279 HydrophobicContact CB-CG 3.7Å; L277-R279 HydrophobicContact CD1-CG 4.49Å; L277-R279 PolarHBondContact O-N 3.01Å; L277-V281 HydrophobicContact CD1-CG2 4.22Å; L277-L385 HydrophobicContact CD2-CB 3.65Å; L277-L385 WeakPolarHBondContact CD2-O 3.44Å; L277-A386 HydrophobicContact CD2-CB 3.93Å
278K90.7Very high93.3Very high193 Ų19363.4 Ų63.484%0.83932%0.321SS*.THydrogen-bonded Turntrans53.534.3-175.7-55.5178.9-178177.80113.4Q274 T275 A276Q274-K278 PolarHBondContact O-N 3.46Å; Q274-K278 VanDerWaalsContact O-N 3.11Å; T275-K278 WeakPolarHBondContact O-CG 3.26Å; T275-K278 PolarHBondContact O-N 3.13Å; T275-K278 VanDerWaalsContact O-N 3.15Å; A276-K278 VanDerWaalsContact C-N 3.33Å
279R88.2Confident93.3Very high88 Ų8859.4 Ų59.433%0.33230%0.299SS..SBendtrans-147.7151.7178.857.4-178.6164.3175.7-5.2110.2L277 V281L277-R279 HydrophobicContact CB-CG 3.7Å; L277-R279 HydrophobicContact CD1-CG 4.49Å; L277-R279 PolarHBondContact O-N 3.01Å; R279-V281 PolarHBondContact O-N 3.39Å
280P88.5Confident93.3Very high60 Ų6063.1 Ų63.139%0.3932%0.323SS..  trans-64.6135.6-179.527.9-35.6000111.1Y282P280-Y282 HydrophobicContact CB-CE2 3.7Å; P280-Y282 HydrophobicContact CG-CE2 4.07Å
281V91.7Very high93.4Very high13 Ų1363.3 Ų63.38%0.07932%0.323CS..EExtended strand (participates in β ladder)trans-114.1132.2178.8-178.10000107.6V246 L248 L270 F273 Q274 L277 R279V246-V281 HydrophobicContact CB-CG1 3.47Å; V246-V281 VanDerWaalsContact CB-CG1 3.47Å; V246-V281 HydrophobicContact CG1-CG1 3.8Å; V246-V281 HydrophobicContact CG2-CG1 3.65Å; L248-V281 HydrophobicContact CD2-CB 4.32Å; L248-V281 HydrophobicContact CD2-CG1 4.27Å; L248-V281 HydrophobicContact CD2-CG2 3.71Å; L270-V281 HydrophobicContact CD1-CB 4.42Å; L270-V281 HydrophobicContact CD1-CG1 3.76Å; F273-V281 HydrophobicContact CD1-CG1 4.26Å; F273-V281 HydrophobicContact CD1-CG2 4.2Å; F273-V281 HydrophobicContact CE1-CG1 4.4Å; F273-V281 HydrophobicContact CE1-CG2 4.43Å; Q274-V281 HydrophobicContact CB-CB 4.15Å; Q274-V281 HydrophobicContact CB-CG2 3.69Å; Q274-V281 HydrophobicContact CG-CB 4.4Å; Q274-V281 HydrophobicContact CG-CG2 4.02Å; L277-V281 HydrophobicContact CD1-CG2 4.22Å; R279-V281 PolarHBondContact O-N 3.39Å
282Y91.9Very high93.5Very high123 Ų12355.8 Ų55.848%0.48229%0.288SS..EExtended strand (participates in β ladder)trans-117.3124.1-178.5-62.7-93.6000109.7V246 T247 V249 P280 V284V246-Y282 CarbonylContact C-O 3.21Å; V246-Y282 WeakPolarHBondContact CA-O 3.27Å; T247-Y282 PolarHBondContact N-O 2.82Å; T247-Y282 PolarHBondContact O-N 3Å; V249-Y282 HydrophobicContact CB-CE2 4.32Å; V249-Y282 HydrophobicContact CG2-CD2 3.76Å; V249-Y282 HydrophobicContact CG2-CE2 3.17Å; P280-Y282 HydrophobicContact CB-CE2 3.7Å; P280-Y282 HydrophobicContact CG-CE2 4.07Å; Y282-V284 PolarHBondContact O-N 3.28Å
283V93.6Very high93.6Very high65 Ų6558.9 Ų58.939%0.39431%0.306SS..EExtended strand (participates in β ladder)trans-71.3123.6174.6-178.80000109C244 V246 L270 T286C244-V283 HydrophobicContact CB-CG1 4.18Å; V246-V283 HydrophobicContact CG1-CG2 4.28Å; L270-V283 HydrophobicContact CD1-CG2 3.98Å; L270-V283 HydrophobicContact CD2-CG2 3.47Å; L270-V283 VanDerWaalsContact CD2-CG2 3.47Å; L270-V283 HydrophobicContact CG-CG2 4.4Å; V283-T286 HydrophobicContact CG1-CG2 3.77Å
284V91Very high93.6Very high63 Ų6361.3 Ų61.338%0.38233%0.332SS..EExtended strand (participates in β ladder)trans-89-44.1174.9179.40000109.7L245 T247 Y282L245-V284 HydrophobicContact CB-CB 4.25Å; L245-V284 WeakPolarHBondContact O-CB 3.31Å; L245-V284 PolarHBondContact O-N 2.99Å; T247-V284 HydrophobicContact CG2-CG2 3.99Å; Y282-V284 PolarHBondContact O-N 3.28Å
285S93.6Very high93.8Very high21 Ų2157.8 Ų57.815%0.14732%0.315CS..EExtended strand (participates in β ladder)trans-157.8158178.262.10000111.2F209 C244 L245F209-S285 VanDerWaalsContact CD1-CB 3.44Å; F209-S285 WeakPolarHBondContact CD1-OG 3.25Å; F209-S285 WeakPolarHBondContact CE1-OG 3.14Å; C244-S285 CarbonylContact C-O 3.56Å; C244-S285 WeakPolarHBondContact CA-O 3.1Å; C244-S285 WeakPolarHBondContact CB-O 3.38Å; L245-S285 PolarHBondContact N-O 3.48Å; L245-S285 PolarHBondContact O-N 3.03Å
286T96.2Very high94Very high78 Ų7856.1 Ų56.148%0.47930%0.302SS..EExtended strand (participates in β ladder)trans-124.3146.617358.60000109.8Y243 C244 L267 V283Y243-T286 CarbonylContact O-C 3.54Å; Y243-T286 VanDerWaalsContact O-CA 3.3Å; Y243-T286 WeakPolarHBondContact O-CA 3.26Å; C244-T286 HydrophobicContact CB-CG2 4Å; L267-T286 HydrophobicContact CD1-CG2 3.93Å; L267-T286 HydrophobicContact CD2-CG2 4.34Å; V283-T286 HydrophobicContact CG1-CG2 3.77Å
287F97.3Very high94.2Very high8 Ų855.7 Ų55.74%0.03530%0.299CS..EExtended strand (participates in β ladder)trans-159.6157.6-177.847.2-88.8000111.7F204 F209 Q242 Y243 L245 L264 L291 L292F204-F287 HydrophobicContact CE2-CZ 4.18Å; F204-F287 HydrophobicContact CZ-CE1 4.28Å; F204-F287 HydrophobicContact CZ-CE2 4.47Å; F204-F287 AromaticContact CZ-CZ 3.86Å; F204-F287 HydrophobicContact CZ-CZ 3.86Å; F209-F287 HydrophobicContact CE1-CB 4.31Å; F209-F287 AromaticContact CE1-CD1 3.43Å; F209-F287 HydrophobicContact CE1-CD1 3.43Å; F209-F287 VanDerWaalsContact CE1-CD1 3.43Å; F209-F287 HydrophobicContact CE1-CE1 4.04Å; F209-F287 HydrophobicContact CE1-CG 4.13Å; F209-F287 HydrophobicContact CE2-CD1 4.44Å; F209-F287 HydrophobicContact CZ-CB 4.12Å; F209-F287 AromaticContact CZ-CD1 3.35Å; F209-F287 HydrophobicContact CZ-CD1 3.35Å; F209-F287 AromaticContact CZ-CE1 3.83Å; F209-F287 HydrophobicContact CZ-CE1 3.83Å; F209-F287 AromaticContact CZ-CG 3.75Å; F209-F287 HydrophobicContact CZ-CG 3.75Å; Q242-F287 PolarHBondContact OE1-O 3.37Å; Y243-F287 PolarHBondContact N-O 2.85Å; Y243-F287 PolarHBondContact O-N 3.05Å; L245-F287 HydrophobicContact CG-CE1 3.96Å; L245-F287 HydrophobicContact CG-CZ 4.33Å; L264-F287 HydrophobicContact CD1-CE2 3.96Å; L264-F287 HydrophobicContact CD1-CZ 3.46Å; L264-F287 VanDerWaalsContact CD1-CZ 3.46Å; F287-L291 HydrophobicContact CB-CD1 4.49Å; F287-L291 HydrophobicContact CD2-CB 4.05Å; F287-L291 HydrophobicContact CD2-CD2 3.9Å; F287-L291 HydrophobicContact CD2-CG 4.39Å; F287-L291 HydrophobicContact CE2-CD2 3.94Å; F287-L292 HydrophobicContact CE2-CD2 4.02Å
288P96.6Very high94.4Very high58 Ų5855.4 Ų55.438%0.37730%0.298SS..EExtended strand (participates in β ladder)trans-67.2149.2176.628.5-36.1000112.2T290 L291P288-T290 PolarHBondContact O-N 3.32Å; P288-T290 VanDerWaalsContact O-N 3.12Å; P288-L291 WeakPolarHBondContact O-CB 3.09Å; P288-L291 PolarHBondContact O-N 2.92Å; P288-L291 VanDerWaalsContact O-N 3.13Å
289G95.3Very high94.4Very high0 Ų046.4 Ų46.40%026%0.259CS..G310 helixtrans-59.6-21.7178.600000114.6Y237 L241 Y243 L291 L292Y237-G289 WeakPolarHBondContact CD2-O 3.35Å; Y237-G289 WeakPolarHBondContact CE2-O 3.47Å; L241-G289 WeakPolarHBondContact O-CA 3.44Å; L241-G289 PolarHBondContact O-N 3Å; Y243-G289 VanDerWaalsContact CD2-CA 3.41Å; G289-L291 PolarHBondContact O-N 2.96Å; G289-L291 VanDerWaalsContact O-N 3.12Å; G289-L292 WeakPolarHBondContact O-CB 3.41Å; G289-L292 PolarHBondContact O-N 3.45Å
290T96Very high94.4Very high79 Ų7943.2 Ų43.249%0.48525%0.25SC..G310 helixtrans-56.1-26.4173.752.70000113.5P288 L292 Q293P288-T290 PolarHBondContact O-N 3.32Å; P288-T290 VanDerWaalsContact O-N 3.12Å; T290-L292 PolarHBondContact O-N 3.43Å; T290-Q293 VanDerWaalsContact O-CB 3.31Å; T290-Q293 WeakPolarHBondContact O-CB 3.48Å; T290-Q293 PolarHBondContact O-N 2.83Å
291L96Very high94.3Very high41 Ų4142.3 Ų42.322%0.21524%0.242CC..G310 helixtrans-68.9-17.1176.1-171.8142000113.1F204 P205 L208 F209 F287 P288 G289 Q293F204-L291 HydrophobicContact CE2-CD2 4.15Å; F204-L291 HydrophobicContact CZ-CD2 4.09Å; P205-L291 HydrophobicContact CG-CD1 4.42Å; P205-L291 HydrophobicContact CG-CD2 3.74Å; P205-L291 HydrophobicContact CG-CG 4.14Å; L208-L291 HydrophobicContact CD1-CD1 3.93Å; F209-L291 HydrophobicContact CE2-CD1 4.15Å; F209-L291 HydrophobicContact CE2-CD2 4.17Å; F209-L291 HydrophobicContact CZ-CD1 3.9Å; F209-L291 HydrophobicContact CZ-CD2 4.29Å; F287-L291 HydrophobicContact CB-CD1 4.49Å; F287-L291 HydrophobicContact CD2-CB 4.05Å; F287-L291 HydrophobicContact CD2-CD2 3.9Å; F287-L291 HydrophobicContact CD2-CG 4.39Å; F287-L291 HydrophobicContact CE2-CD2 3.94Å; P288-L291 WeakPolarHBondContact O-CB 3.09Å; P288-L291 PolarHBondContact O-N 2.92Å; P288-L291 VanDerWaalsContact O-N 3.13Å; G289-L291 PolarHBondContact O-N 2.96Å; G289-L291 VanDerWaalsContact O-N 3.12Å; L291-Q293 VanDerWaalsContact C-N 3.27Å
292L96.9Very high94.1Very high0 Ų045 Ų450%026%0.255CS..G310 helixtrans-80.7-8.1177.1-55.6-176.9000113.2Y237 Y243 L264 F287 G289 T290 G294 L295 L323Y237-L292 HydrophobicContact CD1-CB 3.89Å; Y237-L292 HydrophobicContact CD1-CD1 4.46Å; Y237-L292 HydrophobicContact CD2-CB 3.79Å; Y237-L292 HydrophobicContact CD2-CD1 3.9Å; Y237-L292 HydrophobicContact CD2-CG 4.33Å; Y237-L292 HydrophobicContact CE1-CB 3.95Å; Y237-L292 HydrophobicContact CE2-CB 3.85Å; Y237-L292 HydrophobicContact CG-CB 3.83Å; Y237-L292 HydrophobicContact CG-CD1 3.76Å; Y237-L292 HydrophobicContact CG-CG 4.42Å; Y243-L292 HydrophobicContact CD1-CD1 3.69Å; Y243-L292 HydrophobicContact CD2-CD1 3.81Å; Y243-L292 HydrophobicContact CE1-CD1 3.75Å; Y243-L292 HydrophobicContact CE2-CD1 3.85Å; Y243-L292 HydrophobicContact CG-CD1 3.73Å; L264-L292 HydrophobicContact CD1-CD2 4.08Å; L264-L292 HydrophobicContact CD2-CD2 3.73Å; F287-L292 HydrophobicContact CE2-CD2 4.02Å; G289-L292 WeakPolarHBondContact O-CB 3.41Å; G289-L292 PolarHBondContact O-N 3.45Å; T290-L292 PolarHBondContact O-N 3.43Å; L292-G294 PolarHBondContact O-N 3.04Å; L292-L295 HydrophobicContact CB-CD1 4.2Å; L292-L295 HydrophobicContact CD2-CD1 3.56Å; L292-L295 WeakPolarHBondContact O-CB 3.34Å; L292-L295 WeakPolarHBondContact O-CG 3.07Å; L292-L295 PolarHBondContact O-N 3.02Å; L292-L323 HydrophobicContact CD1-CD2 4.09Å
293Q96Very high93.9Very high146 Ų14643 Ų4368%0.68226%0.257SS*.THydrogen-bonded Turntrans-62.8129.8179.1-171.1176.1-0.600111.5Y237 T290 L291 L295Y237-Q293 WeakPolarHBondContact OH-CA 3.39Å; Y237-Q293 WeakPolarHBondContact OH-CB 3.4Å; Y237-Q293 PolarHBondContact OH-N 3.17Å; T290-Q293 VanDerWaalsContact O-CB 3.31Å; T290-Q293 WeakPolarHBondContact O-CB 3.48Å; T290-Q293 PolarHBondContact O-N 2.83Å; L291-Q293 VanDerWaalsContact C-N 3.27Å; Q293-L295 PolarHBondContact O-N 3.46Å
294G95.4Very high93.7Very high52 Ų5247.6 Ų47.654%0.53628%0.28SS..THydrogen-bonded Turntrans75.25.5179.500000114.5N203 L292N203-G294 PolarHBondContact ND2-O 3.24Å; L292-G294 PolarHBondContact O-N 3.04Å
295L97.4Very high93.8Very high6 Ų649.5 Ų49.53%0.03128%0.284CS..  trans-66.6150.2171.5-67.7-173.4000111.4T201 N203 F204 L292 Q293 F309T201-L295 HydrophobicContact CG2-CB 4.49Å; T201-L295 HydrophobicContact CG2-CD1 4.23Å; N203-L295 VanDerWaalsContact OD1-CA 3.32Å; N203-L295 WeakPolarHBondContact OD1-CA 3.35Å; F204-L295 HydrophobicContact CD2-CD1 3.84Å; F204-L295 HydrophobicContact CE2-CD1 4.28Å; L292-L295 HydrophobicContact CB-CD1 4.2Å; L292-L295 HydrophobicContact CD2-CD1 3.56Å; L292-L295 WeakPolarHBondContact O-CB 3.34Å; L292-L295 WeakPolarHBondContact O-CG 3.07Å; L292-L295 PolarHBondContact O-N 3.02Å; Q293-L295 PolarHBondContact O-N 3.46Å; L295-F309 HydrophobicContact CB-CB 4.12Å; L295-F309 HydrophobicContact CB-CD2 3.56Å; L295-F309 HydrophobicContact CB-CE2 4.04Å; L295-F309 HydrophobicContact CB-CG 3.86Å; L295-F309 WeakPolarHBondContact O-CD2 3.5Å; L295-F309 PolarHBondContact O-N 3.16Å
296L97.5Very high93.9Very high58 Ų5852.4 Ų52.430%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-125.2144.8176.3-58.3177.6000109.2T201 I202 N203 F307 P308T201-L296 WeakPolarHBondContact CG2-O 3.41Å; I202-L296 PolarHBondContact N-O 2.98Å; N203-L296 PolarHBondContact OD1-N 3.45Å; L296-F307 CarbonylContact C-O 3.54Å; L296-F307 WeakPolarHBondContact CA-O 3.28Å; L296-P308 HydrophobicContact CD2-CB 4.37Å
297Y97Very high93.9Very high0 Ų049.9 Ų49.90%028%0.284CS..EExtended strand (participates in β ladder)trans-125.9165170.969.8-79.6000111.4M199 L200 N232 A234 I235 M299 T306 F307 P308 F309M199-Y297 HydrophobicContact CB-CD2 3.68Å; M199-Y297 HydrophobicContact CB-CE2 4.33Å; M199-Y297 HydrophobicContact CB-CG 4.36Å; M199-Y297 HydrophobicContact CG-CD2 4.17Å; M199-Y297 HydrophobicContact CG-CE2 4.34Å; M199-Y297 HydrophobicContact SD-CD2 3.63Å; M199-Y297 HydrophobicContact SD-CE2 3.27Å; M199-Y297 WeakPolarHBondContact SD-CE2 3.39Å; L200-Y297 CarbonylContact O-C 3.15Å; L200-Y297 WeakPolarHBondContact O-CA 3.26Å; L200-Y297 VanDerWaalsContact O-CB 3.31Å; L200-Y297 WeakPolarHBondContact O-CB 3.48Å; N232-Y297 PolarHBondContact ND2-OH 3.19Å; A234-Y297 WeakPolarHBondContact CA-OH 3.24Å; A234-Y297 PolarHBondContact N-OH 3.19Å; I235-Y297 HydrophobicContact CB-CD1 4.46Å; I235-Y297 HydrophobicContact CB-CE1 4.22Å; I235-Y297 HydrophobicContact CD1-CD1 3.7Å; I235-Y297 HydrophobicContact CD1-CD2 4.12Å; I235-Y297 HydrophobicContact CD1-CE1 3.93Å; I235-Y297 HydrophobicContact CD1-CE2 4.28Å; I235-Y297 HydrophobicContact CD1-CG 3.82Å; I235-Y297 HydrophobicContact CG1-CD1 3.93Å; I235-Y297 HydrophobicContact CG1-CE1 3.65Å; I235-Y297 HydrophobicContact CG1-CE2 4.4Å; I235-Y297 HydrophobicContact CG1-CG 4.46Å; Y297-M299 HydrophobicContact CD2-CG 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.56Å; Y297-M299 HydrophobicContact CE2-SD 4.41Å; Y297-T306 CarbonylContact O-C 3.55Å; Y297-T306 WeakPolarHBondContact O-CA 3.43Å; Y297-F307 HydrophobicContact CD1-CB 3.9Å; Y297-F307 WeakPolarHBondContact CD1-O 3.4Å; Y297-F307 HydrophobicContact CD2-CB 4.27Å; Y297-F307 HydrophobicContact CE1-CB 3.3Å; Y297-F307 HydrophobicContact CE1-CG 4.48Å; Y297-F307 HydrophobicContact CE2-CB 3.77Å; Y297-F307 HydrophobicContact CE2-CD2 4.3Å; Y297-F307 HydrophobicContact CE2-CG 4.24Å; Y297-F307 HydrophobicContact CG-CB 4.33Å; Y297-F307 AromaticContact CZ-CG 3.98Å; Y297-F307 PolarHBondContact N-O 3.37Å; Y297-F307 PolarHBondContact O-N 3.06Å; Y297-F307 WeakPolarHBondContact OH-CB 3.45Å; Y297-P308 WeakPolarHBondContact CE1-O 3.29Å; Y297-F309 HydrophobicContact CD1-CD2 4.01Å; Y297-F309 AromaticContact CD1-CE2 3.78Å; Y297-F309 HydrophobicContact CD1-CE2 3.78Å; Y297-F309 HydrophobicContact CG-CE2 4.23Å
298S95.4Very high93.9Very high11 Ų1150.3 Ų50.38%0.07729%0.288CS..EExtended strand (participates in β ladder)trans-115.8142171.1169.30000110.1L200 P303L200-S298 PolarHBondContact N-O 2.95Å; L200-S298 PolarHBondContact O-N 3.36Å; S298-P303 VanDerWaalsContact OG-CA 3.31Å; S298-P303 WeakPolarHBondContact OG-CA 3.44Å; S298-P303 PolarHBondContact OG-O 3.23Å
299M91.1Very high94Very high4 Ų447.9 Ų47.92%0.0227%0.271CS..EExtended strand (participates in β ladder)trans-92.9146.4177.5-76.7-172.962.300111.6M199 L229 N232 Y297 L301 L302 P303 F307M199-M299 HydrophobicContact CE-CG 4.48Å; M199-M299 HydrophobicContact SD-CG 4.4Å; L229-M299 WeakPolarHBondContact O-CE 3.32Å; N232-M299 HydrophobicContact CB-CE 3.94Å; N232-M299 HydrophobicContact CB-SD 3.86Å; Y297-M299 HydrophobicContact CD2-CG 4.24Å; Y297-M299 HydrophobicContact CE2-CG 3.56Å; Y297-M299 HydrophobicContact CE2-SD 4.41Å; M299-L301 PolarHBondContact O-N 3.24Å; M299-L302 CarbonylContact O-C 3.59Å; M299-L302 PolarHBondContact O-N 2.72Å; M299-L302 VanDerWaalsContact O-N 3.12Å; M299-P303 WeakPolarHBondContact O-CA 3.28Å; M299-F307 HydrophobicContact CB-CD2 4.42Å; M299-F307 HydrophobicContact CB-CE2 4.08Å; M299-F307 HydrophobicContact CG-CD2 4Å; M299-F307 HydrophobicContact CG-CE2 4Å; M299-F307 HydrophobicContact SD-CD2 4.43Å; M299-F307 HydrophobicContact SD-CE2 4.2Å; M299-F307 HydrophobicContact SD-CZ 4.3Å
300P87.9Confident94.1Very high21 Ų2149 Ų4914%0.13628%0.275CS..THydrogen-bonded Turntrans-61.5-28.5177.2-24.336.2000114.1F197 Y380 H383F197-P300 HydrophobicContact CE1-CG 3.91Å; F197-P300 HydrophobicContact CZ-CG 3.96Å; P300-Y380 HydrophobicContact CB-CD1 3.43Å; P300-Y380 VanDerWaalsContact CB-CD1 3.43Å; P300-Y380 HydrophobicContact CB-CE1 3.69Å; P300-Y380 HydrophobicContact CB-CG 3.9Å; P300-Y380 WeakPolarHBondContact O-CE1 3.47Å; P300-H383 HydrophobicContact CG-CB 4.34Å; P300-H383 VanDerWaalsContact CG-CE1 3.5Å; P300-H383 WeakPolarHBondContact CG-CE1 3.29Å; P300-H383 WeakPolarHBondContact CG-ND1 3.46Å
301L86.9Confident94.1Very high42 Ų4248.9 Ų48.922%0.2227%0.269CS..THydrogen-bonded Turntrans-74.1-32.4178.3-174.362.8000112.4P230 M299 M359 Y380P230-L301 HydrophobicContact CB-CD2 4.32Å; M299-L301 PolarHBondContact O-N 3.24Å; L301-M359 HydrophobicContact CD2-CE 3.86Å; L301-Y380 WeakPolarHBondContact CA-OH 3.18Å; L301-Y380 HydrophobicContact CD1-CE2 4.48Å; L301-Y380 VanDerWaalsContact CD1-OH 3.31Å; L301-Y380 WeakPolarHBondContact CD1-OH 3.32Å
302L87.7Confident94Very high69 Ų6947 Ų4736%0.36126%0.26SS..EExtended strand (participates in β ladder)trans-132.868.2-175.8-64.6171.7000109M299 D304 Q305 F307M299-L302 CarbonylContact O-C 3.59Å; M299-L302 PolarHBondContact O-N 2.72Å; M299-L302 VanDerWaalsContact O-N 3.12Å; L302-D304 PolarHBondContact O-N 2.67Å; L302-Q305 HydrophobicContact CB-CB 4.13Å; L302-Q305 HydrophobicContact CB-CG 4.25Å; L302-Q305 PolarHBondContact O-N 2.81Å; L302-Q305 VanDerWaalsContact O-N 3.07Å; L302-F307 HydrophobicContact CB-CE2 4.3Å; L302-F307 HydrophobicContact CB-CZ 4.39Å; L302-F307 HydrophobicContact CD1-CZ 3.95Å
303P86.6Confident93.7Very high81 Ų8151 Ų5153%0.52629%0.293SS..EExtended strand (participates in β ladder)trans-62.7-29.1-170.324.4-34.3000113.2S298 M299 Q305S298-P303 VanDerWaalsContact OG-CA 3.31Å; S298-P303 WeakPolarHBondContact OG-CA 3.44Å; S298-P303 PolarHBondContact OG-O 3.23Å; M299-P303 WeakPolarHBondContact O-CA 3.28Å; P303-Q305 VanDerWaalsContact C-N 3.32Å
304D89.7Confident93.5Very high161 Ų16147 Ų4786%0.86127%0.274SS*.EExtended strand (participates in β ladder)trans-84.3-5.1-179.2-56.2-44.7000113.4L302L302-D304 PolarHBondContact O-N 2.67Å
305Q92.6Very high93.3Very high103 Ų10344.6 Ų44.648%0.48125%0.249SC..EExtended strand (participates in β ladder)trans-101.6152.5175.7-62.9-170.81800111.1L302 P303 F307L302-Q305 HydrophobicContact CB-CB 4.13Å; L302-Q305 HydrophobicContact CB-CG 4.25Å; L302-Q305 PolarHBondContact O-N 2.81Å; L302-Q305 VanDerWaalsContact O-N 3.07Å; P303-Q305 VanDerWaalsContact C-N 3.32Å; Q305-F307 HydrophobicContact CB-CE2 3.81Å; Q305-F307 HydrophobicContact CB-CZ 4.09Å
306T95.6Very high93Very high82 Ų8247.9 Ų47.950%0.50327%0.267SS..EExtended strand (participates in β ladder)trans-119.9139.4176.362.30000110.5I202 Y297I202-T306 HydrophobicContact CG1-CG2 4.16Å; Y297-T306 CarbonylContact O-C 3.55Å; Y297-T306 WeakPolarHBondContact O-CA 3.43Å
307F96.8Very high92.7Very high25 Ų2547.1 Ų47.111%0.1127%0.266CS..EExtended strand (participates in β ladder)trans-125.7146.3-173.1-64-89.6000110L296 Y297 M299 L302 Q305L296-F307 CarbonylContact C-O 3.54Å; L296-F307 WeakPolarHBondContact CA-O 3.28Å; Y297-F307 HydrophobicContact CD1-CB 3.9Å; Y297-F307 WeakPolarHBondContact CD1-O 3.4Å; Y297-F307 HydrophobicContact CD2-CB 4.27Å; Y297-F307 HydrophobicContact CE1-CB 3.3Å; Y297-F307 HydrophobicContact CE1-CG 4.48Å; Y297-F307 HydrophobicContact CE2-CB 3.77Å; Y297-F307 HydrophobicContact CE2-CD2 4.3Å; Y297-F307 HydrophobicContact CE2-CG 4.24Å; Y297-F307 HydrophobicContact CG-CB 4.33Å; Y297-F307 AromaticContact CZ-CG 3.98Å; Y297-F307 PolarHBondContact N-O 3.37Å; Y297-F307 PolarHBondContact O-N 3.06Å; Y297-F307 WeakPolarHBondContact OH-CB 3.45Å; M299-F307 HydrophobicContact CB-CD2 4.42Å; M299-F307 HydrophobicContact CB-CE2 4.08Å; M299-F307 HydrophobicContact CG-CD2 4Å; M299-F307 HydrophobicContact CG-CE2 4Å; M299-F307 HydrophobicContact SD-CD2 4.43Å; M299-F307 HydrophobicContact SD-CE2 4.2Å; M299-F307 HydrophobicContact SD-CZ 4.3Å; L302-F307 HydrophobicContact CB-CE2 4.3Å; L302-F307 HydrophobicContact CB-CZ 4.39Å; L302-F307 HydrophobicContact CD1-CZ 3.95Å; Q305-F307 HydrophobicContact CB-CE2 3.81Å; Q305-F307 HydrophobicContact CB-CZ 4.09Å
308P97.5Very high92.3Very high18 Ų1854.8 Ų54.812%0.11730%0.299CS..EExtended strand (participates in β ladder)trans-84.6154.8-17133.4-37.8000114.6D233 A234 I235 L296 Y297 Y310D233-P308 WeakPolarHBondContact O-CD 3.49Å; A234-P308 VanDerWaalsContact CA-O 3.31Å; A234-P308 WeakPolarHBondContact CA-O 3.26Å; A234-P308 HydrophobicContact CB-CG 4.26Å; A234-P308 WeakPolarHBondContact CB-O 3.37Å; I235-P308 PolarHBondContact N-O 3.42Å; I235-P308 VanDerWaalsContact N-O 3.09Å; L296-P308 HydrophobicContact CD2-CB 4.37Å; Y297-P308 WeakPolarHBondContact CE1-O 3.29Å; P308-Y310 HydrophobicContact CB-CD1 4.31Å; P308-Y310 HydrophobicContact CB-CE1 3.78Å; P308-Y310 HydrophobicContact CB-CE2 4.06Å; P308-Y310 HydrophobicContact CG-CD2 4.1Å; P308-Y310 HydrophobicContact CG-CE1 4.01Å; P308-Y310 HydrophobicContact CG-CE2 3.39Å
309F98.1Very high91.9Very high6 Ų660.4 Ų60.43%0.02632%0.324CS..EExtended strand (participates in β ladder)trans-88.8135.5156.1-77.8-112.8000110T201 A219 I235 Y237 L264 L295 Y297 L323T201-F309 HydrophobicContact CG2-CE2 4.34Å; A219-F309 HydrophobicContact CB-CE1 4.34Å; A219-F309 HydrophobicContact CB-CZ 3.71Å; I235-F309 HydrophobicContact CB-CD1 3.96Å; I235-F309 HydrophobicContact CB-CE1 3.91Å; I235-F309 HydrophobicContact CB-CG 4.3Å; I235-F309 HydrophobicContact CB-CZ 4.22Å; I235-F309 HydrophobicContact CD1-CE1 4.21Å; I235-F309 HydrophobicContact CD1-CE2 4.21Å; I235-F309 HydrophobicContact CD1-CZ 3.78Å; I235-F309 HydrophobicContact CG2-CD1 3.82Å; I235-F309 HydrophobicContact CG2-CE1 3.58Å; I235-F309 HydrophobicContact CG2-CZ 4.24Å; I235-F309 CarbonylContact O-C 3.42Å; I235-F309 VanDerWaalsContact O-CA 3.23Å; I235-F309 WeakPolarHBondContact O-CA 3.35Å; Y237-F309 HydrophobicContact CD1-CB 4.01Å; Y237-F309 HydrophobicContact CD1-CD1 4.23Å; Y237-F309 HydrophobicContact CE1-CB 4.03Å; L264-F309 HydrophobicContact CD2-CE1 4.29Å; L264-F309 HydrophobicContact CD2-CZ 4.47Å; L295-F309 HydrophobicContact CB-CB 4.12Å; L295-F309 HydrophobicContact CB-CD2 3.56Å; L295-F309 HydrophobicContact CB-CE2 4.04Å; L295-F309 HydrophobicContact CB-CG 3.86Å; L295-F309 WeakPolarHBondContact O-CD2 3.5Å; L295-F309 PolarHBondContact O-N 3.16Å; Y297-F309 HydrophobicContact CD1-CD2 4.01Å; Y297-F309 AromaticContact CD1-CE2 3.78Å; Y297-F309 HydrophobicContact CD1-CE2 3.78Å; Y297-F309 HydrophobicContact CG-CE2 4.23Å; F309-L323 HydrophobicContact CE1-CD2 4.15Å
310Y97.6Very high91.9Very high24 Ų2460.5 Ų60.59%0.09433%0.326CS..EExtended strand (participates in β ladder)trans-123.6146.4176.8-69.6-42000112.7A234 I235 C236 Y237 P308 F328 V337 H341 R343A234-Y310 HydrophobicContact CB-CD2 3.58Å; A234-Y310 HydrophobicContact CB-CE2 4.05Å; I235-Y310 PolarHBondContact O-N 3.41Å; C236-Y310 CarbonylContact C-O 3.54Å; C236-Y310 VanDerWaalsContact CA-O 3.24Å; C236-Y310 WeakPolarHBondContact CA-O 3.4Å; Y237-Y310 WeakPolarHBondContact CD1-O 3.46Å; Y237-Y310 VanDerWaalsContact CE1-C 3.44Å; Y237-Y310 WeakPolarHBondContact CE1-O 3.34Å; Y237-Y310 PolarHBondContact N-O 3.15Å; P308-Y310 HydrophobicContact CB-CD1 4.31Å; P308-Y310 HydrophobicContact CB-CE1 3.78Å; P308-Y310 HydrophobicContact CB-CE2 4.06Å; P308-Y310 HydrophobicContact CG-CD2 4.1Å; P308-Y310 HydrophobicContact CG-CE1 4.01Å; P308-Y310 HydrophobicContact CG-CE2 3.39Å; Y310-F328 HydrophobicContact CD2-CZ 4.38Å; Y310-F328 AromaticContact CE2-CZ 3.95Å; Y310-F328 HydrophobicContact CE2-CZ 3.95Å; Y310-V337 HydrophobicContact CD2-CG1 3.61Å; Y310-V337 HydrophobicContact CE2-CG1 4.49Å; Y310-V337 HydrophobicContact CG-CG1 4.09Å; Y310-H341 AromaticContact CD1-CD2 3.38Å; Y310-H341 WeakPolarHBondContact CD1-CD2 3.42Å; Y310-H341 AromaticContact CD1-CE1 3.68Å; Y310-H341 AromaticContact CD1-CG 3.87Å; Y310-H341 AromaticContact CD1-NE2 3.23Å; Y310-H341 WeakPolarHBondContact CD1-NE2 3.36Å; Y310-H341 HydrophobicContact CE1-CB 4.16Å; Y310-H341 AromaticContact CE1-CD2 3.17Å; Y310-H341 WeakPolarHBondContact CE1-CD2 3.18Å; Y310-H341 AromaticContact CE1-CG 3.58Å; Y310-H341 AromaticContact CE1-NE2 3.59Å; Y310-H341 HydrophobicContact CE2-CB 4.1Å; Y310-H341 AromaticContact CE2-CG 3.93Å; Y310-H341 AromaticContact CG-CE1 3.7Å; Y310-H341 AromaticContact CG-ND1 3.95Å; Y310-H341 AromaticContact CG-NE2 3.76Å; Y310-H341 AromaticContact CZ-CD2 3.68Å; Y310-H341 AromaticContact CZ-CG 3.59Å; Y310-R343 VanDerWaalsContact OH-CZ 3.25Å; Y310-R343 PolarHBondContact OH-NE 2.99Å; Y310-R343 PolarHBondContact OH-NH2 3.15Å
311H96.3Very high92.2Very high76 Ų7659.5 Ų59.535%0.35232%0.32SS..EExtended strand (participates in β ladder)trans-70.2132168.6175.275.7000109Y237 S239Y237-H311 CarbonylContact O-C 3.54Å; Y237-H311 WeakPolarHBondContact O-CA 3.42Å; S239-H311 PolarHBondContact N-CE1 3.03Å; S239-H311 PolarHBondContact N-ND1 3.09Å; S239-H311 PolarHBondContact OG-ND1 3.27Å
312G93.6Very high92.6Very high3 Ų357.7 Ų57.73%0.03131%0.311CS..  trans-140.7116.1175.200000111.3Y237 H314 V315Y237-G312 PolarHBondContact O-N 3.17Å; G312-H314 PolarHBondContact O-N 3.09Å; G312-V315 WeakPolarHBondContact O-CB 3.46Å; G312-V315 PolarHBondContact O-N 3.2Å; G312-V315 VanDerWaalsContact O-N 3.14Å
313A90.8Very high93.1Very high83 Ų8354.5 Ų54.569%0.68629%0.294SS*.THydrogen-bonded Turntrans-66-21.1178.900000113.5V315A313-V315 PolarHBondContact O-N 2.78Å
314H91.3Very high93.5Very high63 Ų6352.9 Ų52.929%0.29228%0.283SS..THydrogen-bonded Turntrans-69.9-15.8175.161-88.2000113.1G312 D316 D333G312-H314 PolarHBondContact O-N 3.09Å; H314-D316 PolarHBondContact O-N 2.89Å; H314-D333 HydrophobicContact CB-CB 4.28Å
315V93.2Very high93.8Very high1 Ų145.7 Ų45.71%0.00624%0.244CC..  trans-75.3114.9177.2179.10000109.5C236 N238 G312 A313 C322 V324C236-V315 HydrophobicContact CB-CG2 3.67Å; N238-V315 HydrophobicContact CB-CB 4.07Å; N238-V315 HydrophobicContact CB-CG1 4.34Å; N238-V315 WeakPolarHBondContact CB-O 3.46Å; N238-V315 PolarHBondContact ND2-O 2.98Å; G312-V315 WeakPolarHBondContact O-CB 3.46Å; G312-V315 PolarHBondContact O-N 3.2Å; G312-V315 VanDerWaalsContact O-N 3.14Å; A313-V315 PolarHBondContact O-N 2.78Å; V315-C322 WeakPolarHBondContact CG1-O 3.36Å; V315-V324 HydrophobicContact CB-CG2 4.4Å; V315-V324 HydrophobicContact CG1-CG2 4.1Å; V315-V324 HydrophobicContact CG2-CB 4.05Å; V315-V324 HydrophobicContact CG2-CG2 3.8Å
316D91.1Very high94Very high75 Ų7540.8 Ų40.840%0.40122%0.221SC..  trans-107.7172179.981.721.9000113.4H314 K318 Q319H314-D316 PolarHBondContact O-N 2.89Å; D316-K318 WeakPolarHBondContact OD1-CB 3.3Å; D316-K318 PolarHBondContact OD1-N 2.89Å; D316-Q319 PolarHBondContact OD1-N 3.36Å
317S90.6Very high94Very high41 Ų4136.9 Ų36.929%0.28720%0.197SC..SBendtrans-92.8-2.7176.658.20000114.1D268 R272D268-S317 WeakPolarHBondContact OD2-CB 2.89Å; R272-S317 PolarHBondContact NH1-O 3.02Å; R272-S317 PolarHBondContact NH2-O 3.33Å
318K88.7Confident94Very high161 Ų16136 Ų3670%0.719%0.193SC*.SBendtrans-80.7-33.8-171-64.1179.9-178.9173.50112.3R272 D316R272-K318 PolarHBondContact NH1-O 2.87Å; D316-K318 WeakPolarHBondContact OD1-CB 3.3Å; D316-K318 PolarHBondContact OD1-N 2.89Å
319Q85.7Confident94Very high129 Ų12935.2 Ų35.260%0.60319%0.188SC*.SBendtrans-132157.1-175.7-61.7-172.40.100112.9W222 D316W222-Q319 HydrophobicContact CH2-CB 4.44Å; W222-Q319 HydrophobicContact CZ3-CB 4.18Å; D316-Q319 PolarHBondContact OD1-N 3.36Å
320G90.8Very high93.9Very high6 Ų635.5 Ų35.56%0.06219%0.19CC..THydrogen-bonded Turntrans59.5-149.4178.200000114.8W222 S269 R272W222-G320 VanDerWaalsContact CE3-CA 3.44Å; W222-G320 VanDerWaalsContact CG-CA 3.49Å; S269-G320 WeakPolarHBondContact CB-O 3.49Å; R272-G320 PolarHBondContact NE-O 3.04Å; R272-G320 PolarHBondContact NH2-O 3.35Å
321T95.4Very high93.7Very high1 Ų134.7 Ų34.71%0.00619%0.189CC..THydrogen-bonded Turntrans-1007.6-174.152.30000114.1Y196 V220 W222 I265 G266 S269 F273 L323Y196-T321 HydrophobicContact CD1-CG2 3.63Å; Y196-T321 HydrophobicContact CE1-CG2 3.74Å; V220-T321 HydrophobicContact CB-CG2 4.27Å; V220-T321 HydrophobicContact CG1-CG2 4.06Å; V220-T321 VanDerWaalsContact O-CB 3.26Å; V220-T321 WeakPolarHBondContact O-CB 3.46Å; V220-T321 PolarHBondContact O-OG1 2.88Å; W222-T321 HydrophobicContact CB-CG2 4.09Å; W222-T321 PolarHBondContact N-OG1 2.67Å; I265-T321 HydrophobicContact CG2-CG2 4.3Å; G266-T321 PolarHBondContact N-O 3.24Å; S269-T321 WeakPolarHBondContact OG-CA 3.45Å; S269-T321 PolarHBondContact OG-O 3.42Å; F273-T321 HydrophobicContact CD2-CG2 4.3Å; T321-L323 PolarHBondContact O-N 3.2Å; T321-L323 VanDerWaalsContact O-N 3.09Å; T321-L323 PolarHBondContact OG1-O 3.36Å
322C95.5Very high93.5Very high4 Ų434.9 Ų34.93%0.02719%0.188CC..SBendtrans56.715.8-168.9-47.10000114.5L241 Y243 V315L241-C322 HydrophobicContact CD1-CB 4.18Å; Y243-C322 HydrophobicContact CE1-CB 4.22Å; Y243-C322 WeakPolarHBondContact CE1-O 3.33Å; Y243-C322 PolarHBondContact OH-O 2.72Å; V315-C322 WeakPolarHBondContact CG1-O 3.36Å
323L97Very high93.5Very high1 Ų138.7 Ų38.71%0.00521%0.208CC..  trans-122.7111.2166.4-69177.1000106.7A219 V220 V221 I235 Y243 L264 L292 F309 T321A219-L323 HydrophobicContact CB-CD1 4.15Å; V220-L323 WeakPolarHBondContact O-CB 3.41Å; V221-L323 WeakPolarHBondContact CA-O 3.32Å; V221-L323 HydrophobicContact CG1-CB 4.4Å; I235-L323 HydrophobicContact CG2-CB 3.97Å; I235-L323 HydrophobicContact CG2-CD2 3.96Å; I235-L323 HydrophobicContact CG2-CG 4.45Å; Y243-L323 HydrophobicContact CD1-CD2 4.25Å; Y243-L323 HydrophobicContact CE1-CD2 3.6Å; Y243-L323 HydrophobicContact CE1-CG 4Å; L264-L323 HydrophobicContact CD2-CD1 4.14Å; L264-L323 HydrophobicContact CG-CD1 3.99Å; L264-L323 WeakPolarHBondContact O-CD1 3.37Å; L292-L323 HydrophobicContact CD1-CD2 4.09Å; F309-L323 HydrophobicContact CE1-CD2 4.15Å; T321-L323 PolarHBondContact O-N 3.2Å; T321-L323 VanDerWaalsContact O-N 3.09Å; T321-L323 PolarHBondContact OG1-O 3.36Å
324V95.6Very high93.8Very high47 Ų4735.8 Ų35.829%0.28518%0.181SC..EExtended strand (participates in β ladder)trans-99.8125-175.6176.70000107.3I235 C236 V315 T326I235-V324 CarbonylContact C-O 3.59Å; I235-V324 WeakPolarHBondContact CA-O 3.31Å; C236-V324 HydrophobicContact CB-CB 4.32Å; C236-V324 PolarHBondContact N-O 3.28Å; C236-V324 PolarHBondContact O-N 2.94Å; V315-V324 HydrophobicContact CB-CG2 4.4Å; V315-V324 HydrophobicContact CG1-CG2 4.1Å; V315-V324 HydrophobicContact CG2-CB 4.05Å; V315-V324 HydrophobicContact CG2-CG2 3.8Å; V324-T326 PolarHBondContact O-OG1 3.02Å
325H95.4Very high94Very high10 Ų1033.2 Ų33.25%0.04617%0.169CC..EExtended strand (participates in β ladder)trans-70.7140.5168.59279.9000107.4V221 T223 T228 L229 N232V221-H325 HydrophobicContact CB-CB 3.93Å; V221-H325 HydrophobicContact CG1-CB 3.94Å; V221-H325 HydrophobicContact CG2-CB 3.96Å; T223-H325 WeakPolarHBondContact CB-CD2 3.36Å; T223-H325 WeakPolarHBondContact CB-NE2 3.26Å; T223-H325 PolarHBondContact OG1-NE2 3.09Å; T228-H325 PolarHBondContact OG1-CE1 2.82Å; T228-H325 PolarHBondContact OG1-NE2 3.43Å; L229-H325 HydrophobicContact CD2-CB 4.34Å; N232-H325 VanDerWaalsContact OD1-C 3.27Å; N232-H325 WeakPolarHBondContact OD1-CA 3.42Å; N232-H325 WeakPolarHBondContact OD1-CB 3.43Å; N232-H325 PolarHBondContact OD1-ND1 3.49Å
326T96.5Very high94Very high0 Ų037 Ų370%019%0.189CC..EExtended strand (participates in β ladder)trans-127.5113.5-171.3-51.30000109.5N232 D233 A234 C236 V324 F328 D334 V337N232-T326 PolarHBondContact OD1-N 2.87Å; N232-T326 PolarHBondContact OD1-O 2.92Å; D233-T326 PolarHBondContact N-O 3.25Å; A234-T326 PolarHBondContact N-O 2.67Å; A234-T326 PolarHBondContact O-N 3.12Å; C236-T326 WeakPolarHBondContact CB-OG1 3.34Å; C236-T326 PolarHBondContact N-OG1 3.24Å; C236-T326 PolarHBondContact SG-OG1 3.48Å; V324-T326 PolarHBondContact O-OG1 3.02Å; T326-F328 HydrophobicContact CG2-CD1 3.99Å; T326-F328 HydrophobicContact CG2-CE1 4Å; T326-D334 WeakPolarHBondContact CA-OD2 3.29Å; T326-D334 HydrophobicContact CG2-CB 3.54Å; T326-V337 HydrophobicContact CG2-CB 4.35Å; T326-V337 HydrophobicContact CG2-CG1 4.43Å
327A96.6Very high94.2Very high0 Ų033.6 Ų33.60%017%0.171CC..  trans-109.1103.5176.400000109V231 A329 H330 D334V231-A327 HydrophobicContact CG2-CB 4.19Å; V231-A327 VanDerWaalsContact O-CB 3.3Å; V231-A327 WeakPolarHBondContact O-CB 3.5Å; A327-A329 PolarHBondContact O-N 2.87Å; A327-H330 HydrophobicContact CB-CB 4.18Å; A327-H330 PolarHBondContact O-N 2.89Å; A327-D334 PolarHBondContact N-OD2 2.72Å; A327-D334 VanDerWaalsContact O-CB 3.23Å; A327-D334 WeakPolarHBondContact O-CB 3.41Å
328F97Very high94.5Very high7 Ų731.6 Ų31.63%0.03116%0.157CC..THydrogen-bonded Turntrans-58.1-28.3-163.8-60.4-29.3000113.9D233 A234 Y310 T326 D334 F335 V337 R343 I345D233-F328 HydrophobicContact CB-CD1 4Å; D233-F328 HydrophobicContact CB-CD2 3.46Å; D233-F328 VanDerWaalsContact CB-CD2 3.46Å; D233-F328 HydrophobicContact CB-CE1 3.86Å; D233-F328 HydrophobicContact CB-CE2 3.29Å; D233-F328 HydrophobicContact CB-CG 3.8Å; D233-F328 HydrophobicContact CB-CZ 3.48Å; D233-F328 VanDerWaalsContact CB-CZ 3.48Å; D233-F328 WeakPolarHBondContact OD2-CB 3.46Å; D233-F328 WeakPolarHBondContact OD2-CD2 3.37Å; D233-F328 WeakPolarHBondContact OD2-CG 3.47Å; D233-F328 PolarHBondContact OD2-N 2.67Å; A234-F328 HydrophobicContact CB-CE1 3.97Å; A234-F328 HydrophobicContact CB-CZ 4Å; Y310-F328 HydrophobicContact CD2-CZ 4.38Å; Y310-F328 AromaticContact CE2-CZ 3.95Å; Y310-F328 HydrophobicContact CE2-CZ 3.95Å; T326-F328 HydrophobicContact CG2-CD1 3.99Å; T326-F328 HydrophobicContact CG2-CE1 4Å; F328-D334 VanDerWaalsContact CD1-O 3.25Å; F328-D334 WeakPolarHBondContact CD1-O 3.48Å; F328-F335 WeakPolarHBondContact O-CA 3.4Å; F328-F335 WeakPolarHBondContact O-CB 3.26Å; F328-F335 WeakPolarHBondContact O-CD2 3.47Å; F328-F335 PolarHBondContact O-N 3.37Å; F328-V337 HydrophobicContact CE1-CG1 4.1Å; F328-R343 HydrophobicContact CD2-CB 4.08Å; F328-R343 HydrophobicContact CD2-CG 4.5Å; F328-R343 HydrophobicContact CE2-CB 3.74Å; F328-R343 HydrophobicContact CE2-CG 3.68Å; F328-R343 HydrophobicContact CZ-CG 4.18Å; F328-I345 HydrophobicContact CB-CB 4.43Å; F328-I345 HydrophobicContact CB-CD1 4.14Å; F328-I345 HydrophobicContact CB-CG1 3.94Å; F328-I345 HydrophobicContact CB-CG2 3.8Å; F328-I345 HydrophobicContact CD2-CG1 4.49Å
329A96.5Very high94.7Very high1 Ų128.5 Ų28.51%0.00815%0.147CC..THydrogen-bonded Turntrans-89.5-1.9179.100000114.9A327 I345 Q346 R407 S408A327-A329 PolarHBondContact O-N 2.87Å; A329-I345 HydrophobicContact CB-CG2 3.91Å; A329-Q346 VanDerWaalsContact CB-O 3.25Å; A329-Q346 WeakPolarHBondContact CB-O 3.25Å; A329-R407 CarbonylContact O-C 3.51Å; A329-S408 PolarHBondContact O-N 3.13Å; A329-S408 PolarHBondContact O-OG 3.24Å
330H96.6Very high95.1Very high13 Ų1329.3 Ų29.36%0.0615%0.151CC..SBendtrans-13317.1-165.7-60.6-59.2000114.6W227 T228 A327 I406W227-H330 HydrophobicContact CH2-CB 3.86Å; W227-H330 AromaticContact CH2-CG 3.68Å; W227-H330 AromaticContact CH2-ND1 3.53Å; W227-H330 HydrophobicContact CZ3-CB 4.33Å; W227-H330 AromaticContact CZ3-CG 3.83Å; W227-H330 AromaticContact CZ3-ND1 3.79Å; T228-H330 HydrophobicContact CG2-CB 3.85Å; A327-H330 HydrophobicContact CB-CB 4.18Å; A327-H330 PolarHBondContact O-N 2.89Å; H330-I406 WeakPolarHBondContact CA-O 3.4Å; H330-I406 PolarHBondContact ND1-O 2.84Å
331G93.7Very high95.4Very high7 Ų732.6 Ų32.67%0.07217%0.165CC..  trans-153150.2171.300000110.8F335G331-F335 VanDerWaalsContact O-CB 3.31Å; G331-F335 WeakPolarHBondContact O-CB 3.31Å; G331-F335 PolarHBondContact O-N 3.27Å
332F93Very high95.3Very high79 Ų7935.8 Ų35.835%0.34620%0.198SC..Hα-helixtrans-69.5-47.8178.1-68.5-75.4000111.4P168 Y170 F335 N336 I406P168-F332 HydrophobicContact CB-CD1 3.97Å; P168-F332 HydrophobicContact CB-CE1 4.06Å; P168-F332 HydrophobicContact CG-CD1 3.64Å; P168-F332 HydrophobicContact CG-CE1 4.07Å; P168-F332 HydrophobicContact CG-CG 4.45Å; P168-F332 WeakPolarHBondContact O-CE1 3.38Å; Y170-F332 HydrophobicContact CD2-CE2 4.35Å; Y170-F332 HydrophobicContact CD2-CZ 4.02Å; Y170-F332 AromaticContact CE1-CE2 4Å; Y170-F332 HydrophobicContact CE1-CE2 4Å; Y170-F332 AromaticContact CE2-CE2 3.78Å; Y170-F332 HydrophobicContact CE2-CE2 3.78Å; Y170-F332 AromaticContact CE2-CZ 3.79Å; Y170-F332 HydrophobicContact CE2-CZ 3.79Å; Y170-F332 AromaticContact CZ-CE2 3.59Å; F332-F335 PolarHBondContact O-N 3Å; F332-N336 PolarHBondContact O-N 3.48Å; F332-N336 PolarHBondContact O-ND2 3.38Å; F332-I406 HydrophobicContact CD2-CD1 3.74Å; F332-I406 HydrophobicContact CE2-CD1 3.68Å; F332-I406 HydrophobicContact CE2-CG1 4.05Å; F332-I406 HydrophobicContact CE2-CG2 4.41Å
333D93.4Very high95.2Very high83 Ų8341.2 Ų41.244%0.44422%0.218SC..Hα-helixtrans-66.3-40.5174.4-64.3-54.6000110.9H314 F335 N336 V337H314-D333 HydrophobicContact CB-CB 4.28Å; D333-F335 VanDerWaalsContact C-N 3.31Å; D333-F335 PolarHBondContact O-N 3.06Å; D333-N336 PolarHBondContact O-N 3.45Å; D333-N336 VanDerWaalsContact O-N 3.13Å; D333-V337 WeakPolarHBondContact O-CG2 3.49Å; D333-V337 PolarHBondContact O-N 3.43Å
334D95.6Very high95Very high23 Ų2347.1 Ų47.112%0.12325%0.254CS..Hα-helixtrans-57.2-44.7176.8-55.533.1000111.9T326 A327 F328 N336 V337 G338T326-D334 WeakPolarHBondContact CA-OD2 3.29Å; T326-D334 HydrophobicContact CG2-CB 3.54Å; A327-D334 PolarHBondContact N-OD2 2.72Å; A327-D334 VanDerWaalsContact O-CB 3.23Å; A327-D334 WeakPolarHBondContact O-CB 3.41Å; F328-D334 VanDerWaalsContact CD1-O 3.25Å; F328-D334 WeakPolarHBondContact CD1-O 3.48Å; D334-N336 VanDerWaalsContact C-N 3.35Å; D334-N336 PolarHBondContact O-N 3.34Å; D334-V337 PolarHBondContact O-N 2.73Å; D334-G338 PolarHBondContact O-N 2.9Å
335F95.4Very high94.9Very high9 Ų945.9 Ų45.94%0.03925%0.246CC..Hα-helixtrans-61.5-44.2176.9-175.2-90.9000111.6F166 K167 P168 F328 G331 F332 D333 V337 G338 I339 I345F166-F335 HydrophobicContact CD1-CE2 4.3Å; F166-F335 WeakPolarHBondContact O-CE2 3.49Å; F166-F335 WeakPolarHBondContact O-CZ 3.34Å; K167-F335 HydrophobicContact CG-CE1 4.14Å; K167-F335 HydrophobicContact CG-CZ 4.09Å; P168-F335 VanDerWaalsContact CD-CG 3.41Å; P168-F335 HydrophobicContact CG-CB 3.75Å; P168-F335 HydrophobicContact CG-CD1 4.32Å; P168-F335 HydrophobicContact CG-CD2 4.3Å; P168-F335 HydrophobicContact CG-CG 3.87Å; F328-F335 WeakPolarHBondContact O-CA 3.4Å; F328-F335 WeakPolarHBondContact O-CB 3.26Å; F328-F335 WeakPolarHBondContact O-CD2 3.47Å; F328-F335 PolarHBondContact O-N 3.37Å; G331-F335 VanDerWaalsContact O-CB 3.31Å; G331-F335 WeakPolarHBondContact O-CB 3.31Å; G331-F335 PolarHBondContact O-N 3.27Å; F332-F335 PolarHBondContact O-N 3Å; D333-F335 VanDerWaalsContact C-N 3.31Å; D333-F335 PolarHBondContact O-N 3.06Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 3.01Å; F335-G338 PolarHBondContact O-N 3.25Å; F335-I339 HydrophobicContact CD1-CG1 3.89Å; F335-I339 HydrophobicContact CE1-CD1 3.96Å; F335-I339 HydrophobicContact CE1-CG1 3.47Å; F335-I339 VanDerWaalsContact CE1-CG1 3.47Å; F335-I339 HydrophobicContact CZ-CD1 3.92Å; F335-I339 HydrophobicContact CZ-CG1 3.94Å; F335-I339 WeakPolarHBondContact O-CG1 3.45Å; F335-I339 PolarHBondContact O-N 2.98Å; F335-I345 HydrophobicContact CD2-CD1 3.49Å; F335-I345 VanDerWaalsContact CD2-CD1 3.49Å; F335-I345 HydrophobicContact CD2-CG2 4.09Å; F335-I345 HydrophobicContact CE2-CB 4.38Å; F335-I345 HydrophobicContact CE2-CD1 3.51Å; F335-I345 HydrophobicContact CE2-CG2 4.16Å; F335-I345 HydrophobicContact CG-CD1 4.05Å; F335-I345 HydrophobicContact CZ-CD1 4.05Å
336N94Very high94.8Very high79 Ų7951.7 Ų51.742%0.42227%0.273SS..Hα-helixtrans-62.1-42.7178.6-66.9-27.3000111.3F332 D333 D334 G338 I339 E340F332-N336 PolarHBondContact O-N 3.48Å; F332-N336 PolarHBondContact O-ND2 3.38Å; D333-N336 PolarHBondContact O-N 3.45Å; D333-N336 VanDerWaalsContact O-N 3.13Å; D334-N336 VanDerWaalsContact C-N 3.35Å; D334-N336 PolarHBondContact O-N 3.34Å; N336-G338 VanDerWaalsContact C-N 3.3Å; N336-G338 PolarHBondContact O-N 3.36Å; N336-I339 PolarHBondContact O-N 2.95Å; N336-E340 WeakPolarHBondContact O-CB 3.28Å; N336-E340 VanDerWaalsContact O-CG 3.3Å; N336-E340 WeakPolarHBondContact O-CG 3.49Å; N336-E340 PolarHBondContact O-N 3.46Å
337V95.9Very high94.7Very high4 Ų452.9 Ų52.92%0.02428%0.281CS..Hα-helixtrans-57.8-44.4174.3173.30000111.2Y310 T326 F328 D333 D334 F335 H341Y310-V337 HydrophobicContact CD2-CG1 3.61Å; Y310-V337 HydrophobicContact CE2-CG1 4.49Å; Y310-V337 HydrophobicContact CG-CG1 4.09Å; T326-V337 HydrophobicContact CG2-CB 4.35Å; T326-V337 HydrophobicContact CG2-CG1 4.43Å; F328-V337 HydrophobicContact CE1-CG1 4.1Å; D333-V337 WeakPolarHBondContact O-CG2 3.49Å; D333-V337 PolarHBondContact O-N 3.43Å; D334-V337 PolarHBondContact O-N 2.73Å; F335-V337 VanDerWaalsContact C-N 3.34Å; F335-V337 PolarHBondContact O-N 3.01Å; V337-H341 PolarHBondContact O-N 2.93Å; V337-H341 PolarHBondContact O-ND1 2.7Å
338G95.3Very high94.6Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-60.1-45.1176.700000112.6D334 F335 N336 H341 G342 R343D334-G338 PolarHBondContact O-N 2.9Å; F335-G338 PolarHBondContact O-N 3.25Å; N336-G338 VanDerWaalsContact C-N 3.3Å; N336-G338 PolarHBondContact O-N 3.36Å; G338-H341 PolarHBondContact O-N 3.45Å; G338-G342 PolarHBondContact O-N 2.97Å; G338-R343 WeakPolarHBondContact O-CB 3.21Å; G338-R343 PolarHBondContact O-N 3.28Å
339I94.2Very high94.6Very high96 Ų9654.7 Ų54.749%0.49229%0.291SS..Hα-helixtrans-65.8-47.1178.4-65.9-60.1000111.9F335 N336 H341 G342 I345F335-I339 HydrophobicContact CD1-CG1 3.89Å; F335-I339 HydrophobicContact CE1-CD1 3.96Å; F335-I339 HydrophobicContact CE1-CG1 3.47Å; F335-I339 VanDerWaalsContact CE1-CG1 3.47Å; F335-I339 HydrophobicContact CZ-CD1 3.92Å; F335-I339 HydrophobicContact CZ-CG1 3.94Å; F335-I339 WeakPolarHBondContact O-CG1 3.45Å; F335-I339 PolarHBondContact O-N 2.98Å; N336-I339 PolarHBondContact O-N 2.95Å; I339-H341 PolarHBondContact O-N 3.16Å; I339-H341 VanDerWaalsContact O-N 3.16Å; I339-G342 PolarHBondContact O-N 3.32Å; I339-I345 HydrophobicContact CD1-CD1 3.76Å; I339-I345 HydrophobicContact CG1-CD1 3.92Å
340E94.5Very high94.5Very high145 Ų14556.4 Ų56.468%0.67830%0.3SS*.Hα-helixtrans-56.5-32179.6-76.2172.3-171.300112.4N336N336-E340 WeakPolarHBondContact O-CB 3.28Å; N336-E340 VanDerWaalsContact O-CG 3.3Å; N336-E340 WeakPolarHBondContact O-CG 3.49Å; N336-E340 PolarHBondContact O-N 3.46Å
341H95.5Very high94.4Very high75 Ų7560.2 Ų60.235%0.34732%0.318SS..THydrogen-bonded Turntrans-98.112.7179.1-62.786.5000113.7Y310 V337 G338 I339 R343Y310-H341 AromaticContact CD1-CD2 3.38Å; Y310-H341 WeakPolarHBondContact CD1-CD2 3.42Å; Y310-H341 AromaticContact CD1-CE1 3.68Å; Y310-H341 AromaticContact CD1-CG 3.87Å; Y310-H341 AromaticContact CD1-NE2 3.23Å; Y310-H341 WeakPolarHBondContact CD1-NE2 3.36Å; Y310-H341 HydrophobicContact CE1-CB 4.16Å; Y310-H341 AromaticContact CE1-CD2 3.17Å; Y310-H341 WeakPolarHBondContact CE1-CD2 3.18Å; Y310-H341 AromaticContact CE1-CG 3.58Å; Y310-H341 AromaticContact CE1-NE2 3.59Å; Y310-H341 HydrophobicContact CE2-CB 4.1Å; Y310-H341 AromaticContact CE2-CG 3.93Å; Y310-H341 AromaticContact CG-CE1 3.7Å; Y310-H341 AromaticContact CG-ND1 3.95Å; Y310-H341 AromaticContact CG-NE2 3.76Å; Y310-H341 AromaticContact CZ-CD2 3.68Å; Y310-H341 AromaticContact CZ-CG 3.59Å; V337-H341 PolarHBondContact O-N 2.93Å; V337-H341 PolarHBondContact O-ND1 2.7Å; G338-H341 PolarHBondContact O-N 3.45Å; I339-H341 PolarHBondContact O-N 3.16Å; I339-H341 VanDerWaalsContact O-N 3.16Å; H341-R343 VanDerWaalsContact C-N 3.29Å; H341-R343 HydrophobicContact CB-CG 4.23Å; H341-R343 PolarHBondContact O-N 3Å
342G94.1Very high94.4Very high69 Ų6963.3 Ų63.371%0.71133%0.33SS*.THydrogen-bonded Turntrans6330.2175.800000114.3G338 I339G338-G342 PolarHBondContact O-N 2.97Å; I339-G342 PolarHBondContact O-N 3.32Å
343R93.9Very high94.5Very high117 Ų11759.5 Ų59.544%0.44231%0.313SS..PPolyproline II helixtrans-82.7144.6-178.3-61.1-61.4-169.6174.51.4111.5Y310 F328 G338 H341 I345Y310-R343 VanDerWaalsContact OH-CZ 3.25Å; Y310-R343 PolarHBondContact OH-NE 2.99Å; Y310-R343 PolarHBondContact OH-NH2 3.15Å; F328-R343 HydrophobicContact CD2-CB 4.08Å; F328-R343 HydrophobicContact CD2-CG 4.5Å; F328-R343 HydrophobicContact CE2-CB 3.74Å; F328-R343 HydrophobicContact CE2-CG 3.68Å; F328-R343 HydrophobicContact CZ-CG 4.18Å; G338-R343 WeakPolarHBondContact O-CB 3.21Å; G338-R343 PolarHBondContact O-N 3.28Å; H341-R343 VanDerWaalsContact C-N 3.29Å; H341-R343 HydrophobicContact CB-CG 4.23Å; H341-R343 PolarHBondContact O-N 3Å; R343-I345 PolarHBondContact O-N 3.48Å
344V92Very high94.7Very high125 Ų12561.3 Ų61.376%0.75831%0.314SS*.PPolyproline II helixtrans-78.6116.1169.9-179.30000107.9Q346V344-Q346 HydrophobicContact CG1-CG 4.37Å
345I94.3Very high94.8Very high22 Ų2260.2 Ų60.211%0.11331%0.308CS..PPolyproline II helixtrans-97.4127.2-176.1-54.2176.7000109.1F166 F328 A329 F335 I339 R343F166-I345 HydrophobicContact CE1-CB 4.45Å; F166-I345 HydrophobicContact CE1-CG2 4.07Å; F328-I345 HydrophobicContact CB-CB 4.43Å; F328-I345 HydrophobicContact CB-CD1 4.14Å; F328-I345 HydrophobicContact CB-CG1 3.94Å; F328-I345 HydrophobicContact CB-CG2 3.8Å; F328-I345 HydrophobicContact CD2-CG1 4.49Å; A329-I345 HydrophobicContact CB-CG2 3.91Å; F335-I345 HydrophobicContact CD2-CD1 3.49Å; F335-I345 VanDerWaalsContact CD2-CD1 3.49Å; F335-I345 HydrophobicContact CD2-CG2 4.09Å; F335-I345 HydrophobicContact CE2-CB 4.38Å; F335-I345 HydrophobicContact CE2-CD1 3.51Å; F335-I345 HydrophobicContact CE2-CG2 4.16Å; F335-I345 HydrophobicContact CG-CD1 4.05Å; F335-I345 HydrophobicContact CZ-CD1 4.05Å; I339-I345 HydrophobicContact CD1-CD1 3.76Å; I339-I345 HydrophobicContact CG1-CD1 3.92Å; R343-I345 PolarHBondContact O-N 3.48Å
346Q92.7Very high94.8Very high132 Ų13261.5 Ų61.562%0.61732%0.316SS*.  trans-130.5140.4177.8-64.6-178.1-16.900109.9A329 V344A329-Q346 VanDerWaalsContact CB-O 3.25Å; A329-Q346 WeakPolarHBondContact CB-O 3.25Å; V344-Q346 HydrophobicContact CG1-CG 4.37Å
347S94.4Very high94.7Very high24 Ų2466.3 Ų66.317%0.16833%0.329CS..  trans-91.1115175.2176.20000109.8V349S347-V349 PolarHBondContact O-N 2.82Å; S347-V349 PolarHBondContact OG-N 3.12Å; S347-V349 PolarHBondContact OG-O 2.92Å
348L95.2Very high94.5Very high45 Ų4572 Ų7224%0.23636%0.359CS..  trans-89.319.8176.1-61.9174.2000112.6V231 Y355 V356 D358 M359V231-L348 HydrophobicContact CB-CD1 4.48Å; V231-L348 HydrophobicContact CG1-CB 3.74Å; V231-L348 HydrophobicContact CG1-CD1 4Å; V231-L348 HydrophobicContact CG1-CG 4.46Å; L348-Y355 WeakPolarHBondContact O-CA 3.45Å; L348-V356 HydrophobicContact CB-CG2 4.11Å; L348-V356 HydrophobicContact CD2-CG2 3.86Å; L348-V356 PolarHBondContact O-N 2.68Å; L348-D358 HydrophobicContact CD2-CB 4.34Å; L348-M359 HydrophobicContact CB-CG 4.12Å; L348-M359 HydrophobicContact CB-SD 3.91Å; L348-M359 HydrophobicContact CD1-SD 3.62Å; L348-M359 HydrophobicContact CG-SD 4.29Å
349V96.5Very high94.3Very high1 Ų173 Ų731%0.00636%0.364CS..BIsolated β-bridgetrans-125.9130.9175.2-1760000109.6W227 S347 R354 Y355 V368 I405 R407W227-V349 HydrophobicContact CE3-CG2 4.48Å; W227-V349 HydrophobicContact CZ3-CG2 3.87Å; S347-V349 PolarHBondContact O-N 2.82Å; S347-V349 PolarHBondContact OG-N 3.12Å; S347-V349 PolarHBondContact OG-O 2.92Å; V349-R354 CarbonylContact C-O 3.53Å; V349-R354 WeakPolarHBondContact CA-O 3.46Å; V349-Y355 HydrophobicContact CG2-CD1 4.36Å; V349-V368 HydrophobicContact CB-CG1 4.47Å; V349-V368 HydrophobicContact CG1-CG1 3.81Å; V349-V368 HydrophobicContact CG1-CG2 4.34Å; V349-V368 HydrophobicContact CG2-CG1 3.82Å; V349-I405 HydrophobicContact CG1-CD1 4.16Å; V349-R407 PolarHBondContact O-NE 3.17Å
350D95.4Very high94.1Very high37 Ų3769.4 Ų69.420%0.19835%0.35CS..  trans-79.1176.4178.669.217.8000112.9H352 G353 R354 V356 R407D350-H352 PolarHBondContact O-N 3.43Å; D350-H352 VanDerWaalsContact OD1-CA 3.31Å; D350-H352 WeakPolarHBondContact OD1-CA 3.42Å; D350-H352 VanDerWaalsContact OD1-CB 3.29Å; D350-H352 WeakPolarHBondContact OD1-CB 3.45Å; D350-H352 PolarHBondContact OD1-N 2.95Å; D350-G353 PolarHBondContact O-N 2.82Å; D350-G353 VanDerWaalsContact O-N 3.1Å; D350-G353 PolarHBondContact OD1-N 2.91Å; D350-G353 VanDerWaalsContact OD1-N 3.12Å; D350-R354 PolarHBondContact N-O 3.02Å; D350-R354 PolarHBondContact OD1-N 3.15Å; D350-V356 HydrophobicContact CB-CG1 4.2Å; D350-R407 PolarHBondContact O-NE 3.41Å
351E93Very high93.8Very high93 Ų9368 Ų6844%0.43535%0.354SS..THydrogen-bonded Turntrans-61.8-20.1176.858.5-86.8-17000114.2W171 G353W171-E351 HydrophobicContact CH2-CB 4.49Å; W171-E351 HydrophobicContact CZ2-CB 3.67Å; W171-E351 PolarHBondContact NE1-O 2.91Å; E351-G353 VanDerWaalsContact C-N 3.28Å
352H94.3Very high93.6Very high71 Ų7167.4 Ų67.433%0.32936%0.357SS..THydrogen-bonded Turntrans-85.1-1.2177.3-65.6-93.8000112.9K176 D350 R354K176-H352 WeakPolarHBondContact CE-CE1 3.38Å; K176-H352 WeakPolarHBondContact CE-ND1 3.44Å; K176-H352 PolarHBondContact NZ-CE1 3.07Å; D350-H352 PolarHBondContact O-N 3.43Å; D350-H352 VanDerWaalsContact OD1-CA 3.31Å; D350-H352 WeakPolarHBondContact OD1-CA 3.42Å; D350-H352 VanDerWaalsContact OD1-CB 3.29Å; D350-H352 WeakPolarHBondContact OD1-CB 3.45Å; D350-H352 PolarHBondContact OD1-N 2.95Å; H352-R354 HydrophobicContact CB-CG 4.24Å
353G95.5Very high93.6Very high0 Ų064.3 Ų64.30%032%0.324CS..SBendtrans69.636.1-173.500000111.7D350 E351 V368D350-G353 PolarHBondContact O-N 2.82Å; D350-G353 VanDerWaalsContact O-N 3.1Å; D350-G353 PolarHBondContact OD1-N 2.91Å; D350-G353 VanDerWaalsContact OD1-N 3.12Å; E351-G353 VanDerWaalsContact C-N 3.28Å; G353-V368 WeakPolarHBondContact O-CG1 3.37Å; G353-V368 WeakPolarHBondContact O-CG2 3.28Å; G353-V368 PolarHBondContact O-N 2.83Å
354R97.1Very high93.6Very high120 Ų12065.6 Ų65.645%0.45333%0.329SS..BIsolated β-bridgetrans-119.4151176.1-62172.3174-179.9-3.2111.2V349 D350 H352 V356 G365 K366V349-R354 CarbonylContact C-O 3.53Å; V349-R354 WeakPolarHBondContact CA-O 3.46Å; D350-R354 PolarHBondContact N-O 3.02Å; D350-R354 PolarHBondContact OD1-N 3.15Å; H352-R354 HydrophobicContact CB-CG 4.24Å; R354-V356 PolarHBondContact O-N 3.37Å; R354-G365 WeakPolarHBondContact CD-O 3.5Å; R354-K366 WeakPolarHBondContact CA-O 3.48Å; R354-K366 WeakPolarHBondContact CB-O 3.19Å
355Y97.3Very high93.8Very high0 Ų061.1 Ų61.10%031%0.308CS..BIsolated β-bridgetrans-65.9134174.8-65-71.2000111.5W227 P230 V231 L348 V349 M359 L363 G365 K366 V368W227-Y355 WeakPolarHBondContact CA-OH 3.47Å; W227-Y355 PolarHBondContact O-OH 3.05Å; P230-Y355 HydrophobicContact CG-CE1 4.41Å; V231-Y355 HydrophobicContact CG1-CD1 4.4Å; V231-Y355 HydrophobicContact CG1-CE1 4.2Å; L348-Y355 WeakPolarHBondContact O-CA 3.45Å; V349-Y355 HydrophobicContact CG2-CD1 4.36Å; Y355-M359 HydrophobicContact CD1-CE 4.38Å; Y355-M359 HydrophobicContact CD1-CG 3.99Å; Y355-M359 HydrophobicContact CG-CG 4.28Å; Y355-L363 WeakPolarHBondContact CB-O 3.33Å; Y355-L363 HydrophobicContact CD2-CB 3.9Å; Y355-L363 HydrophobicContact CD2-CD2 4.29Å; Y355-L363 WeakPolarHBondContact CD2-O 3.36Å; Y355-L363 HydrophobicContact CE2-CB 4.4Å; Y355-L363 HydrophobicContact CE2-CD2 3.99Å; Y355-L363 HydrophobicContact CG-CB 4.2Å; Y355-G365 PolarHBondContact O-N 2.68Å; Y355-K366 HydrophobicContact CD2-CB 4.42Å; Y355-K366 PolarHBondContact N-O 3.37Å; Y355-K366 VanDerWaalsContact N-O 3.14Å; Y355-V368 HydrophobicContact CD1-CG1 3.95Å; Y355-V368 HydrophobicContact CD2-CG1 3.95Å; Y355-V368 HydrophobicContact CE1-CG1 3.82Å; Y355-V368 HydrophobicContact CE2-CB 4.32Å; Y355-V368 HydrophobicContact CE2-CG1 3.84Å; Y355-V368 HydrophobicContact CG-CG1 4.02Å
356V96Very high93.9Very high36 Ų3663.7 Ų63.722%0.21832%0.319CS..  trans-69.9169178.7-58.60000112L348 D350 R354 D358 M359L348-V356 HydrophobicContact CB-CG2 4.11Å; L348-V356 HydrophobicContact CD2-CG2 3.86Å; L348-V356 PolarHBondContact O-N 2.68Å; D350-V356 HydrophobicContact CB-CG1 4.2Å; R354-V356 PolarHBondContact O-N 3.37Å; V356-D358 HydrophobicContact CG2-CB 4.18Å; V356-D358 PolarHBondContact O-N 3.24Å; V356-M359 WeakPolarHBondContact O-CB 3.33Å; V356-M359 PolarHBondContact O-N 2.94Å; V356-M359 VanDerWaalsContact O-N 3.15Å
357R92.5Very high94.1Very high181 Ų18159.6 Ų59.668%0.68330%0.301SS*.G310 helixtrans-55.6-35.4-178.9-175178.561.4-168.7-3.5113.4M359 G360 W364R357-M359 PolarHBondContact O-N 3.41Å; R357-M359 VanDerWaalsContact O-N 3.17Å; R357-G360 PolarHBondContact O-N 3.3Å; R357-W364 VanDerWaalsContact CA-CD1 3.42Å
358D91.4Very high94.2Very high122 Ų12258.5 Ų58.565%0.65229%0.293SS*.G310 helixtrans-66.3-17.8-176-59.2-3.6000112.8L348 V356 G360L348-D358 HydrophobicContact CD2-CB 4.34Å; V356-D358 HydrophobicContact CG2-CB 4.18Å; V356-D358 PolarHBondContact O-N 3.24Å; D358-G360 VanDerWaalsContact C-N 3.28Å; D358-G360 PolarHBondContact O-N 3.44Å
359M91.3Very high94.1Very high22 Ų2258.9 Ų58.911%0.10830%0.295CS..G310 helixtrans-72.4-21.1171.3-68.6-59.7-60.700113.4P230 V231 L301 L348 Y355 V356 R357 L363P230-M359 HydrophobicContact CB-CE 3.55Å; V231-M359 HydrophobicContact CG1-CE 3.88Å; V231-M359 HydrophobicContact CG1-SD 3.71Å; L301-M359 HydrophobicContact CD2-CE 3.86Å; L348-M359 HydrophobicContact CB-CG 4.12Å; L348-M359 HydrophobicContact CB-SD 3.91Å; L348-M359 HydrophobicContact CD1-SD 3.62Å; L348-M359 HydrophobicContact CG-SD 4.29Å; Y355-M359 HydrophobicContact CD1-CE 4.38Å; Y355-M359 HydrophobicContact CD1-CG 3.99Å; Y355-M359 HydrophobicContact CG-CG 4.28Å; V356-M359 WeakPolarHBondContact O-CB 3.33Å; V356-M359 PolarHBondContact O-N 2.94Å; V356-M359 VanDerWaalsContact O-N 3.15Å; R357-M359 PolarHBondContact O-N 3.41Å; R357-M359 VanDerWaalsContact O-N 3.17Å; M359-L363 HydrophobicContact CB-CB 4.34Å; M359-L363 HydrophobicContact CE-CD1 3.78Å
360G89.3Confident93.8Very high20 Ų2064.1 Ų64.121%0.20633%0.326CS..  trans63.3171.5-178.300000114.9R357 D358 L363 W364R357-G360 PolarHBondContact O-N 3.3Å; D358-G360 VanDerWaalsContact C-N 3.28Å; D358-G360 PolarHBondContact O-N 3.44Å; G360-L363 PolarHBondContact O-N 3.49Å; G360-W364 WeakPolarHBondContact O-CB 3.21Å; G360-W364 PolarHBondContact O-N 3.01Å
361P88.2Confident93.8Very high116 Ų11666.5 Ų66.575%0.75334%0.336SS*.THydrogen-bonded Turntrans-63.6145169.4-20.833.5000111.6
362P90.9Very high93.8Very high63 Ų6362 Ų6241%0.40932%0.315SS..THydrogen-bonded Turncis-89.95.18.136.1-37000114.8K366 I375P362-K366 WeakPolarHBondContact O-CG 3.47Å; P362-I375 HydrophobicContact CB-CG2 3.71Å; P362-I375 HydrophobicContact CG-CG2 3.58Å
363L93.9Very high93.8Very high4 Ų459.2 Ų59.22%0.02130%0.303CS..THydrogen-bonded Turntrans-90.4-31.8-171.8-67.3176.8000114.2P230 Y355 M359 G360 G365 K366 I375 F376P230-L363 HydrophobicContact CB-CD1 3.58Å; P230-L363 HydrophobicContact CG-CD1 3.87Å; Y355-L363 WeakPolarHBondContact CB-O 3.33Å; Y355-L363 HydrophobicContact CD2-CB 3.9Å; Y355-L363 HydrophobicContact CD2-CD2 4.29Å; Y355-L363 WeakPolarHBondContact CD2-O 3.36Å; Y355-L363 HydrophobicContact CE2-CB 4.4Å; Y355-L363 HydrophobicContact CE2-CD2 3.99Å; Y355-L363 HydrophobicContact CG-CB 4.2Å; M359-L363 HydrophobicContact CB-CB 4.34Å; M359-L363 HydrophobicContact CE-CD1 3.78Å; G360-L363 PolarHBondContact O-N 3.49Å; L363-G365 PolarHBondContact O-N 3.27Å; L363-K366 WeakPolarHBondContact O-CB 3.46Å; L363-K366 VanDerWaalsContact O-CG 3.22Å; L363-K366 WeakPolarHBondContact O-CG 3.15Å; L363-K366 PolarHBondContact O-N 3.09Å; L363-I375 HydrophobicContact CD2-CB 4.38Å; L363-I375 HydrophobicContact CD2-CG2 4.01Å; L363-F376 HydrophobicContact CD1-CD2 4.39Å; L363-F376 HydrophobicContact CD2-CB 4.29Å
364W94.5Very high93.8Very high143 Ų14362.2 Ų62.254%0.54233%0.328SS..THydrogen-bonded Turntrans-50127.2-177.9169.338.2000112.1R357 G360 K366R357-W364 VanDerWaalsContact CA-CD1 3.42Å; G360-W364 WeakPolarHBondContact O-CB 3.21Å; G360-W364 PolarHBondContact O-N 3.01Å; W364-K366 PolarHBondContact O-N 2.9Å
365G95.5Very high93.7Very high32 Ų3258.6 Ų58.633%0.3332%0.317SS..THydrogen-bonded Turntrans77.92177.100000114.8R354 Y355 L363R354-G365 WeakPolarHBondContact CD-O 3.5Å; Y355-G365 PolarHBondContact O-N 2.68Å; L363-G365 PolarHBondContact O-N 3.27Å
366K97Very high93.5Very high75 Ų7558.7 Ų58.733%0.32632%0.318SS..  trans-86140.6178.8-57.2-62.5177.1-1730111.6R354 Y355 P362 L363 W364 V368 E371 I375R354-K366 WeakPolarHBondContact CA-O 3.48Å; R354-K366 WeakPolarHBondContact CB-O 3.19Å; Y355-K366 HydrophobicContact CD2-CB 4.42Å; Y355-K366 PolarHBondContact N-O 3.37Å; Y355-K366 VanDerWaalsContact N-O 3.14Å; P362-K366 WeakPolarHBondContact O-CG 3.47Å; L363-K366 WeakPolarHBondContact O-CB 3.46Å; L363-K366 VanDerWaalsContact O-CG 3.22Å; L363-K366 WeakPolarHBondContact O-CG 3.15Å; L363-K366 PolarHBondContact O-N 3.09Å; W364-K366 PolarHBondContact O-N 2.9Å; K366-V368 PolarHBondContact O-N 2.79Å; K366-E371 WeakPolarHBondContact CA-OE2 3.26Å; K366-E371 HydrophobicContact CB-CB 4.01Å; K366-E371 HydrophobicContact CD-CB 4.38Å; K366-E371 WeakPolarHBondContact CD-OE2 3.31Å; K366-I375 HydrophobicContact CB-CD1 4.28Å; K366-I375 HydrophobicContact CD-CD1 3.7Å; K366-I375 HydrophobicContact CG-CD1 3.65Å
367D96.6Very high93.5Very high47 Ų4757.1 Ų57.125%0.25131%0.308SS..BIsolated β-bridgetrans-61.5124.6174.4-177.9-74.1000109.8M369 V370 E371 G372D367-M369 VanDerWaalsContact C-N 3.35Å; D367-M369 PolarHBondContact O-N 3.49Å; D367-M369 WeakPolarHBondContact OD1-CA 3.47Å; D367-M369 PolarHBondContact OD1-N 3.19Å; D367-V370 HydrophobicContact CB-CB 4.47Å; D367-V370 PolarHBondContact OD1-N 3.07Å; D367-E371 HydrophobicContact CB-CG 4.33Å; D367-E371 PolarHBondContact N-OE2 3.22Å; D367-E371 PolarHBondContact O-N 3.07Å; D367-G372 PolarHBondContact O-N 3.3Å
368V96.4Very high93.6Very high0 Ų051.9 Ų51.90%030%0.304CS..THydrogen-bonded Turntrans-68.6-33.3-174.2-57.60000111.7W227 V349 G353 Y355 K366 P373 I405W227-V368 HydrophobicContact CB-CB 4.16Å; W227-V368 WeakPolarHBondContact CB-O 3.47Å; W227-V368 HydrophobicContact CD2-CB 3.99Å; W227-V368 HydrophobicContact CD2-CG2 3.94Å; W227-V368 HydrophobicContact CE3-CB 3.69Å; W227-V368 HydrophobicContact CE3-CG1 4.22Å; W227-V368 HydrophobicContact CE3-CG2 3.81Å; W227-V368 HydrophobicContact CG-CB 4.23Å; W227-V368 HydrophobicContact CG-CG2 4.41Å; W227-V368 HydrophobicContact CZ3-CB 4.42Å; W227-V368 HydrophobicContact CZ3-CG2 4.22Å; V349-V368 HydrophobicContact CB-CG1 4.47Å; V349-V368 HydrophobicContact CG1-CG1 3.81Å; V349-V368 HydrophobicContact CG1-CG2 4.34Å; V349-V368 HydrophobicContact CG2-CG1 3.82Å; G353-V368 WeakPolarHBondContact O-CG1 3.37Å; G353-V368 WeakPolarHBondContact O-CG2 3.28Å; G353-V368 PolarHBondContact O-N 2.83Å; Y355-V368 HydrophobicContact CD1-CG1 3.95Å; Y355-V368 HydrophobicContact CD2-CG1 3.95Å; Y355-V368 HydrophobicContact CE1-CG1 3.82Å; Y355-V368 HydrophobicContact CE2-CB 4.32Å; Y355-V368 HydrophobicContact CE2-CG1 3.84Å; Y355-V368 HydrophobicContact CG-CG1 4.02Å; K366-V368 PolarHBondContact O-N 2.79Å; V368-P373 WeakPolarHBondContact O-CD 3.37Å; V368-I405 HydrophobicContact CG2-CD1 4.3Å; V368-I405 HydrophobicContact CG2-CG2 4.44Å
369M93.2Very high93.7Very high54 Ų5449.1 Ų49.127%0.26629%0.291SS..THydrogen-bonded Turntrans-81.2-32.7-176.7-72.9-71.2-7700112.4W227 D367 Y394 P403 I405W227-M369 VanDerWaalsContact CD1-SD 3.59Å; W227-M369 PolarHBondContact NE1-SD 3.28Å; W227-M369 VanDerWaalsContact NE1-SD 3.4Å; D367-M369 VanDerWaalsContact C-N 3.35Å; D367-M369 PolarHBondContact O-N 3.49Å; D367-M369 WeakPolarHBondContact OD1-CA 3.47Å; D367-M369 PolarHBondContact OD1-N 3.19Å; M369-Y394 HydrophobicContact CE-CE1 4.37Å; M369-P403 HydrophobicContact CE-CB 3.99Å; M369-P403 HydrophobicContact CE-CG 4.04Å; M369-I405 HydrophobicContact CG-CG2 3.63Å; M369-I405 HydrophobicContact SD-CG2 3.7Å
370V90.9Very high93.8Very high111 Ų11150.3 Ų50.367%0.67330%0.295SS*.THydrogen-bonded Turntrans-105.7-57.3-170.4-176.60000112.4D367D367-V370 HydrophobicContact CB-CB 4.47Å; D367-V370 PolarHBondContact OD1-N 3.07Å
371E95Very high94Very high86 Ų8653.1 Ų53.140%0.40231%0.31SS..Hα-helixtrans-87.4-40.7-170.7-63.6179.7158.400111.9K366 D367 A374 I375K366-E371 WeakPolarHBondContact CA-OE2 3.26Å; K366-E371 HydrophobicContact CB-CB 4.01Å; K366-E371 HydrophobicContact CD-CB 4.38Å; K366-E371 WeakPolarHBondContact CD-OE2 3.31Å; D367-E371 HydrophobicContact CB-CG 4.33Å; D367-E371 PolarHBondContact N-OE2 3.22Å; D367-E371 PolarHBondContact O-N 3.07Å; E371-A374 PolarHBondContact O-N 3.45Å; E371-I375 HydrophobicContact CB-CD1 4.22Å; E371-I375 WeakPolarHBondContact O-CG1 3.2Å; E371-I375 PolarHBondContact O-N 2.87Å
372G94Very high94.2Very high0 Ų056.7 Ų56.70%031%0.313CS..Hα-helixtrans-51.3-59.1-175.500000114.6D367 A374 I375 F376D367-G372 PolarHBondContact O-N 3.3Å; G372-A374 VanDerWaalsContact C-N 3.32Å; G372-A374 PolarHBondContact O-N 2.78Å; G372-I375 PolarHBondContact O-N 3.39Å; G372-F376 WeakPolarHBondContact O-CB 3.35Å; G372-F376 PolarHBondContact O-N 3.46Å
373P94Very high94.4Very high12 Ų1255.4 Ų55.48%0.07830%0.302CS..Hα-helixtrans-55-45.5179.1-30.933.8000112.9P226 W227 V368 L377P226-P373 HydrophobicContact CB-CB 4.17Å; P226-P373 HydrophobicContact CG-CB 3.88Å; P226-P373 HydrophobicContact CG-CG 4.09Å; W227-P373 HydrophobicContact CB-CG 3.78Å; V368-P373 WeakPolarHBondContact O-CD 3.37Å; P373-L377 VanDerWaalsContact O-CB 3.25Å; P373-L377 WeakPolarHBondContact O-CB 3.18Å; P373-L377 WeakPolarHBondContact O-CD1 3.41Å; P373-L377 WeakPolarHBondContact O-CG 3.48Å; P373-L377 PolarHBondContact O-N 3.32Å
374A94.1Very high94.5Very high63 Ų6356.4 Ų56.452%0.52131%0.308SS..Hα-helixtrans-63.3-46.3-178.600000111E371 G372 A378E371-A374 PolarHBondContact O-N 3.45Å; G372-A374 VanDerWaalsContact C-N 3.32Å; G372-A374 PolarHBondContact O-N 2.78Å; A374-A378 WeakPolarHBondContact O-CB 3.45Å; A374-A378 PolarHBondContact O-N 3.35Å; A374-A378 VanDerWaalsContact O-N 3.07Å
375I95Very high94.4Very high43 Ų4351 Ų5122%0.22129%0.289CS..Hα-helixtrans-65.1-49.2179-68.5169.2000110.9P362 L363 K366 E371 G372 A378 T379P362-I375 HydrophobicContact CB-CG2 3.71Å; P362-I375 HydrophobicContact CG-CG2 3.58Å; L363-I375 HydrophobicContact CD2-CB 4.38Å; L363-I375 HydrophobicContact CD2-CG2 4.01Å; K366-I375 HydrophobicContact CB-CD1 4.28Å; K366-I375 HydrophobicContact CD-CD1 3.7Å; K366-I375 HydrophobicContact CG-CD1 3.65Å; E371-I375 HydrophobicContact CB-CD1 4.22Å; E371-I375 WeakPolarHBondContact O-CG1 3.2Å; E371-I375 PolarHBondContact O-N 2.87Å; G372-I375 PolarHBondContact O-N 3.39Å; I375-A378 PolarHBondContact O-N 3.14Å; I375-T379 WeakPolarHBondContact O-CB 3.43Å; I375-T379 PolarHBondContact O-N 3.45Å; I375-T379 PolarHBondContact O-OG1 3.08Å
376F94.9Very high94.4Very high2 Ų250.1 Ų50.11%0.00928%0.279CS..Hα-helixtrans-61.6-49.1-177.9-179.2-106.9000111.8F197 L229 P230 L363 G372 A378 T379 Y380F197-F376 HydrophobicContact CD2-CE1 4.41Å; F197-F376 HydrophobicContact CE1-CE1 4.28Å; F197-F376 HydrophobicContact CE1-CZ 4.29Å; F197-F376 HydrophobicContact CE2-CD1 4.49Å; F197-F376 AromaticContact CE2-CE1 3.69Å; F197-F376 HydrophobicContact CE2-CE1 3.69Å; F197-F376 HydrophobicContact CE2-CZ 4.29Å; F197-F376 AromaticContact CZ-CE1 3.61Å; F197-F376 HydrophobicContact CZ-CE1 3.61Å; F197-F376 AromaticContact CZ-CZ 3.75Å; F197-F376 HydrophobicContact CZ-CZ 3.75Å; L229-F376 HydrophobicContact CB-CD1 4.14Å; L229-F376 HydrophobicContact CB-CE1 3.55Å; L229-F376 HydrophobicContact CB-CZ 4.12Å; L229-F376 HydrophobicContact CD1-CD1 4.45Å; L229-F376 HydrophobicContact CD1-CE1 4.08Å; L229-F376 HydrophobicContact CG-CE1 4.47Å; P230-F376 HydrophobicContact CB-CD2 4.06Å; P230-F376 HydrophobicContact CB-CE2 4.06Å; P230-F376 HydrophobicContact CG-CB 4.18Å; P230-F376 HydrophobicContact CG-CD1 4.23Å; P230-F376 HydrophobicContact CG-CD2 3.59Å; P230-F376 HydrophobicContact CG-CE2 3.92Å; P230-F376 HydrophobicContact CG-CG 3.74Å; P230-F376 HydrophobicContact CG-CZ 4.39Å; L363-F376 HydrophobicContact CD1-CD2 4.39Å; L363-F376 HydrophobicContact CD2-CB 4.29Å; G372-F376 WeakPolarHBondContact O-CB 3.35Å; G372-F376 PolarHBondContact O-N 3.46Å; F376-A378 VanDerWaalsContact C-N 3.3Å; F376-A378 PolarHBondContact O-N 2.84Å; F376-T379 PolarHBondContact O-N 2.64Å; F376-T379 VanDerWaalsContact O-N 3.14Å; F376-Y380 AromaticContact CD2-CD2 3.75Å; F376-Y380 HydrophobicContact CD2-CD2 3.75Å; F376-Y380 AromaticContact CD2-CE2 3.81Å; F376-Y380 HydrophobicContact CD2-CE2 3.81Å; F376-Y380 AromaticContact CE2-CD2 3.59Å; F376-Y380 HydrophobicContact CE2-CD2 3.59Å; F376-Y380 AromaticContact CE2-CE2 3.64Å; F376-Y380 HydrophobicContact CE2-CE2 3.64Å; F376-Y380 HydrophobicContact CG-CD2 4.41Å; F376-Y380 HydrophobicContact CZ-CD2 4.09Å; F376-Y380 WeakPolarHBondContact O-CD2 3.16Å; F376-Y380 PolarHBondContact O-N 2.86Å; F376-Y380 VanDerWaalsContact O-N 3.1Å
377L94.9Very high94.3Very high3 Ų352.9 Ų52.92%0.01629%0.287CS..Hα-helixtrans-70.3-26.3-178.2-61.3173000112.8L193 V195 F197 P226 L229 P373 V384 R387L193-L377 HydrophobicContact CD2-CD1 3.78Å; V195-L377 HydrophobicContact CG1-CD2 3.88Å; V195-L377 HydrophobicContact CG2-CD1 3.8Å; V195-L377 HydrophobicContact CG2-CD2 4.38Å; F197-L377 HydrophobicContact CD2-CD2 4.14Å; F197-L377 HydrophobicContact CE2-CD2 4.29Å; P226-L377 HydrophobicContact CB-CD1 4.37Å; L229-L377 HydrophobicContact CD1-CD2 4.38Å; P373-L377 VanDerWaalsContact O-CB 3.25Å; P373-L377 WeakPolarHBondContact O-CB 3.18Å; P373-L377 WeakPolarHBondContact O-CD1 3.41Å; P373-L377 WeakPolarHBondContact O-CG 3.48Å; P373-L377 PolarHBondContact O-N 3.32Å; L377-V384 HydrophobicContact CB-CG2 4.31Å; L377-V384 HydrophobicContact CD2-CG2 3.72Å; L377-R387 PolarHBondContact O-NH2 3.18Å
378A94.6Very high94.1Very high72 Ų7253.8 Ų53.860%0.59529%0.29SS*.Hα-helixtrans-76.1-29.2171.900000112.6A374 I375 F376 P381A374-A378 WeakPolarHBondContact O-CB 3.45Å; A374-A378 PolarHBondContact O-N 3.35Å; A374-A378 VanDerWaalsContact O-N 3.07Å; I375-A378 PolarHBondContact O-N 3.14Å; F376-A378 VanDerWaalsContact C-N 3.3Å; F376-A378 PolarHBondContact O-N 2.84Å; A378-P381 WeakPolarHBondContact O-CD 3.3Å
379T93.9Very high93.9Very high64 Ų6459.6 Ų59.639%0.39332%0.317SS..Hα-helixtrans-74.4-35.8177.4-55.40000111.6I375 F376 P381I375-T379 WeakPolarHBondContact O-CB 3.43Å; I375-T379 PolarHBondContact O-N 3.45Å; I375-T379 PolarHBondContact O-OG1 3.08Å; F376-T379 PolarHBondContact O-N 2.64Å; F376-T379 VanDerWaalsContact O-N 3.14Å; T379-P381 VanDerWaalsContact O-CD 3.23Å; T379-P381 WeakPolarHBondContact O-CD 3.47Å
380Y93.2Very high93.9Very high47 Ų4758.8 Ų58.818%0.18431%0.314CS..  trans-118.353.9-176.9-57.5-73.6000114P300 L301 F376 K382 H383P300-Y380 HydrophobicContact CB-CD1 3.43Å; P300-Y380 VanDerWaalsContact CB-CD1 3.43Å; P300-Y380 HydrophobicContact CB-CE1 3.69Å; P300-Y380 HydrophobicContact CB-CG 3.9Å; P300-Y380 WeakPolarHBondContact O-CE1 3.47Å; L301-Y380 WeakPolarHBondContact CA-OH 3.18Å; L301-Y380 HydrophobicContact CD1-CE2 4.48Å; L301-Y380 VanDerWaalsContact CD1-OH 3.31Å; L301-Y380 WeakPolarHBondContact CD1-OH 3.32Å; F376-Y380 AromaticContact CD2-CD2 3.75Å; F376-Y380 HydrophobicContact CD2-CD2 3.75Å; F376-Y380 AromaticContact CD2-CE2 3.81Å; F376-Y380 HydrophobicContact CD2-CE2 3.81Å; F376-Y380 AromaticContact CE2-CD2 3.59Å; F376-Y380 HydrophobicContact CE2-CD2 3.59Å; F376-Y380 AromaticContact CE2-CE2 3.64Å; F376-Y380 HydrophobicContact CE2-CE2 3.64Å; F376-Y380 HydrophobicContact CG-CD2 4.41Å; F376-Y380 HydrophobicContact CZ-CD2 4.09Å; F376-Y380 WeakPolarHBondContact O-CD2 3.16Å; F376-Y380 PolarHBondContact O-N 2.86Å; F376-Y380 VanDerWaalsContact O-N 3.1Å; Y380-K382 PolarHBondContact O-N 3.14Å; Y380-K382 VanDerWaalsContact O-N 3.14Å; Y380-H383 PolarHBondContact O-N 3.25Å
381P94.2Very high94Very high79 Ų7957.8 Ų57.851%0.51331%0.308SS..G310 helixtrans-65.1-26.4-171.328-35.5000113.1A378 T379 H383 V384A378-P381 WeakPolarHBondContact O-CD 3.3Å; T379-P381 VanDerWaalsContact O-CD 3.23Å; T379-P381 WeakPolarHBondContact O-CD 3.47Å; P381-H383 PolarHBondContact O-N 3.21Å; P381-V384 PolarHBondContact O-N 3.24Å
382K92Very high93.9Very high191 Ų19156.3 Ų56.383%0.8330%0.3SS*.G310 helixtrans-66.2-22.2177.4-65.8179.9-177170.80113.2Y380Y380-K382 PolarHBondContact O-N 3.14Å; Y380-K382 VanDerWaalsContact O-N 3.14Å
383H94.4Very high93.8Very high35 Ų3559.2 Ų59.216%0.16232%0.321CS..G310 helixtrans-93-9.3-178.6-64.4-90.5000112.9F197 T198 W218 P300 Y380 P381F197-H383 CarbonylContact C-O 3.5Å; F197-H383 WeakPolarHBondContact CA-O 3.5Å; F197-H383 HydrophobicContact CD1-CB 4.46Å; F197-H383 HydrophobicContact CD2-CB 4.17Å; F197-H383 HydrophobicContact CE1-CB 3.93Å; F197-H383 HydrophobicContact CE2-CB 3.61Å; F197-H383 HydrophobicContact CZ-CB 3.47Å; F197-H383 VanDerWaalsContact CZ-CB 3.47Å; T198-H383 PolarHBondContact N-O 3.08Å; T198-H383 PolarHBondContact O-ND1 2.95Å; T198-H383 VanDerWaalsContact OG1-CA 3.24Å; T198-H383 WeakPolarHBondContact OG1-CA 3.42Å; T198-H383 PolarHBondContact OG1-O 3.24Å; T198-H383 VanDerWaalsContact OG1-O 3.1Å; W218-H383 AromaticContact CZ3-CE1 3.7Å; W218-H383 AromaticContact CZ3-ND1 3.89Å; P300-H383 HydrophobicContact CG-CB 4.34Å; P300-H383 VanDerWaalsContact CG-CE1 3.5Å; P300-H383 WeakPolarHBondContact CG-CE1 3.29Å; P300-H383 WeakPolarHBondContact CG-ND1 3.46Å; Y380-H383 PolarHBondContact O-N 3.25Å; P381-H383 PolarHBondContact O-N 3.21Å
384V95.6Very high93.9Very high25 Ų2559.8 Ų59.815%0.15232%0.322CS..EExtended strand (participates in β ladder)trans-91.8111.7178.9-176.80000108.8V195 F197 L377 P381 R387V195-V384 HydrophobicContact CG1-CG1 4.14Å; F197-V384 HydrophobicContact CD2-CG2 4.05Å; F197-V384 HydrophobicContact CE2-CG2 4.13Å; L377-V384 HydrophobicContact CB-CG2 4.31Å; L377-V384 HydrophobicContact CD2-CG2 3.72Å; P381-V384 PolarHBondContact O-N 3.24Å; V384-R387 HydrophobicContact CG1-CG 3.72Å
385L93.8Very high93.9Very high30 Ų3057.6 Ų57.616%0.15730%0.302CS..EExtended strand (participates in β ladder)trans-87.3-37.5179.2-66.8-179.4000113.5Y196 T198 V220 Y263 F273 L277Y196-L385 PolarHBondContact O-N 2.92Å; T198-L385 HydrophobicContact CG2-CD1 3.34Å; T198-L385 HydrophobicContact CG2-CD2 4.02Å; T198-L385 HydrophobicContact CG2-CG 3.46Å; T198-L385 VanDerWaalsContact CG2-CG 3.46Å; V220-L385 HydrophobicContact CG1-CD1 3.91Å; V220-L385 HydrophobicContact CG2-CD1 3.93Å; Y263-L385 HydrophobicContact CD1-CD1 3.86Å; Y263-L385 HydrophobicContact CE1-CD1 3.86Å; Y263-L385 HydrophobicContact CE1-CD2 3.81Å; Y263-L385 HydrophobicContact CE1-CG 4.4Å; F273-L385 HydrophobicContact CE2-CD1 3.98Å; F273-L385 HydrophobicContact CZ-CD1 3.85Å; L277-L385 HydrophobicContact CD2-CB 3.65Å; L277-L385 WeakPolarHBondContact CD2-O 3.44Å
386A94.2Very high93.9Very high13 Ų1357 Ų5711%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-154.2156.4177.600000110.6Y196 A276 L277Y196-A386 HydrophobicContact CD2-CB 3.68Å; Y196-A386 HydrophobicContact CE2-CB 4.39Å; Y196-A386 HydrophobicContact CG-CB 4.25Å; Y196-A386 PolarHBondContact N-O 3.27Å; A276-A386 HydrophobicContact CB-CB 4.36Å; L277-A386 HydrophobicContact CD2-CB 3.93Å
387R94.6Very high93.7Very high134 Ų13457 Ų5751%0.50630%0.297SS..EExtended strand (participates in β ladder)trans-134.1133.9175.1-64.2-179-172.61655.8107.8L193 A194 L377 V384L193-R387 HydrophobicContact CD1-CB 4.08Å; A194-R387 WeakPolarHBondContact O-CA 3.19Å; L377-R387 PolarHBondContact O-NH2 3.18Å; V384-R387 HydrophobicContact CG1-CG 3.72Å
388E93.2Very high93.1Very high65 Ų6562.1 Ų62.130%0.30432%0.317SS..EExtended strand (participates in β ladder)trans-136144179.9-61.5-177.6146.900109.1A194 A276A194-E388 HydrophobicContact CB-CB 4.38Å; A194-E388 PolarHBondContact N-O 3.09Å; A194-E388 PolarHBondContact O-N 3.06Å; A276-E388 WeakPolarHBondContact CA-OE1 3.29Å; A276-E388 WeakPolarHBondContact CB-OE1 3.4Å
389E92.8Very high92.2Very high123 Ų12360.4 Ų60.458%0.57530%0.295SS*.EExtended strand (participates in β ladder)trans-95.6120.9169.8-167.9180132.800108R191R191-E389 HydrophobicContact CB-CG 4.42Å; R191-E389 WeakPolarHBondContact CD-OE1 3.35Å; R191-E389 WeakPolarHBondContact CG-OE1 3.44Å; R191-E389 IonicContact CZ-OE1 2.8Å; R191-E389 IonicContact NE-OE1 3.42Å; R191-E389 IonicContact NH1-OE1 2.68Å; R191-E389 PolarHBondContact NH1-OE1 3.49Å
390I92Very high91.8Very high37 Ų3759.7 Ų59.719%0.1929%0.29CS..EExtended strand (participates in β ladder)trans-111.9144179.961.5159.9000110.1R191 S192 A194 T224R191-I390 WeakPolarHBondContact CA-O 3.46Å; S192-I390 PolarHBondContact N-O 2.57Å; S192-I390 WeakPolarHBondContact O-CG1 3.27Å; S192-I390 PolarHBondContact O-N 2.81Å; A194-I390 HydrophobicContact CB-CD1 4.38Å; A194-I390 HydrophobicContact CB-CG1 4.25Å; A194-I390 HydrophobicContact CB-CG2 3.95Å; T224-I390 HydrophobicContact CG2-CD1 3.25Å; T224-I390 HydrophobicContact CG2-CG1 4.47Å
391V93.9Very high91.5Very high90 Ų9058.8 Ų58.855%0.54530%0.295SS..EExtended strand (participates in β ladder)trans-108119.9171.8-178.60000108P188 H190 R191P188-V391 WeakPolarHBondContact O-CG1 3.23Å; H190-V391 VanDerWaalsContact O-CA 3.31Å; H190-V391 WeakPolarHBondContact O-CA 3.47Å; R191-V391 HydrophobicContact CG-CG2 4Å
392H92.5Very high91.4Very high54 Ų5460.9 Ų60.925%0.2530%0.296CS..EExtended strand (participates in β ladder)trans-153.6176.5-177.574.6110000111.9R187 P188 H190 S192 Y394R187-H392 VanDerWaalsContact O-O 3.1Å; P188-H392 CarbonylContact C-O 3.28Å; P188-H392 CarbonylContact O-C 3.54Å; H190-H392 WeakPolarHBondContact CB-O 3.17Å; H190-H392 PolarHBondContact N-O 3.23Å; H190-H392 PolarHBondContact O-N 3.13Å; S192-H392 PolarHBondContact OG-NE2 2.9Å; H392-Y394 AromaticContact CE1-CD2 3.84Å
393S92.9Very high91.5Very high62 Ų6253.7 Ų53.743%0.43427%0.269SS..EExtended strand (participates in β ladder)trans-80.1117.3178.9-173.70000111.3R187R187-S393 WeakPolarHBondContact O-CA 3.39Å
394Y94.3Very high91.6Very high24 Ų2452 Ų529%0.09426%0.261CS..EExtended strand (participates in β ladder)trans-125.7144.5180-164-91.5000111.4R187 H190 M369 H392 Y396 P403 V404R187-Y394 PolarHBondContact N-O 3.21Å; R187-Y394 PolarHBondContact O-N 2.77Å; R187-Y394 VanDerWaalsContact O-N 3.16Å; H190-Y394 WeakPolarHBondContact CD2-CB 3.39Å; H190-Y394 AromaticContact CD2-CD2 4Å; H190-Y394 AromaticContact CD2-CG 3.6Å; H190-Y394 AromaticContact CG-CG 3.94Å; H190-Y394 AromaticContact NE2-CG 3.83Å; M369-Y394 HydrophobicContact CE-CE1 4.37Å; H392-Y394 AromaticContact CE1-CD2 3.84Å; Y394-Y396 HydrophobicContact CD1-CD2 4.36Å; Y394-Y396 HydrophobicContact CD1-CE2 4.21Å; Y394-Y396 WeakPolarHBondContact O-CD2 3.44Å; Y394-P403 HydrophobicContact CD1-CB 3.95Å; Y394-P403 HydrophobicContact CE1-CB 3.7Å; Y394-V404 WeakPolarHBondContact CE1-O 3.37Å; Y394-V404 PolarHBondContact OH-O 3.39Å
395P94.7Very high91.6Very high17 Ų1750.9 Ų50.911%0.1125%0.254CS..EExtended strand (participates in β ladder)trans-73.5131178.928.9-35.4000112.2Y170 L184 Y186 V404Y170-P395 HydrophobicContact CE1-CG 4.35Å; L184-P395 HydrophobicContact CB-CB 4.35Å; L184-P395 HydrophobicContact CD1-CB 4.01Å; L184-P395 HydrophobicContact CD2-CB 4.29Å; L184-P395 HydrophobicContact CG-CB 4.45Å; Y186-P395 HydrophobicContact CD1-CB 4.33Å; Y186-P395 HydrophobicContact CE1-CB 3.98Å; Y186-P395 HydrophobicContact CE1-CG 4.47Å; P395-V404 HydrophobicContact CB-CG2 3.72Å; P395-V404 HydrophobicContact CG-CG2 3.66Å; P395-V404 PolarHBondContact O-N 2.98Å
396Y94.4Very high91.7Very high31 Ų3151.3 Ų51.312%0.12226%0.256CS..EExtended strand (participates in β ladder)trans-117.5148.8173.6-81.8-116.5000110.1L184 E185 R187 H190 Y394 W398 G401 K402 P403L184-Y396 WeakPolarHBondContact CA-O 3.29Å; E185-Y396 PolarHBondContact N-O 3.4Å; E185-Y396 WeakPolarHBondContact O-CB 3.22Å; E185-Y396 PolarHBondContact O-N 3.05Å; R187-Y396 HydrophobicContact CB-CD2 3.99Å; R187-Y396 HydrophobicContact CB-CE2 4.04Å; R187-Y396 HydrophobicContact CG-CD2 3.91Å; R187-Y396 HydrophobicContact CG-CE2 4.31Å; R187-Y396 HydrophobicContact CG-CG 4.15Å; H190-Y396 HydrophobicContact CB-CE2 4.04Å; H190-Y396 AromaticContact CG-CE2 3.93Å; H190-Y396 AromaticContact ND1-CE2 3.38Å; H190-Y396 WeakPolarHBondContact ND1-CE2 3.44Å; H190-Y396 AromaticContact ND1-CZ 3.43Å; H190-Y396 PolarHBondContact ND1-OH 3.48Å; Y394-Y396 HydrophobicContact CD1-CD2 4.36Å; Y394-Y396 HydrophobicContact CD1-CE2 4.21Å; Y394-Y396 WeakPolarHBondContact O-CD2 3.44Å; Y396-W398 PolarHBondContact O-N 3.47Å; Y396-G401 VanDerWaalsContact CD1-O 3.27Å; Y396-G401 WeakPolarHBondContact CD1-O 3.47Å; Y396-G401 WeakPolarHBondContact CE1-O 3.49Å; Y396-K402 WeakPolarHBondContact CA-O 2.99Å; Y396-P403 HydrophobicContact CE1-CB 4.37Å; Y396-P403 HydrophobicContact CE2-CB 4.34Å
397D90.9Very high91.8Very high0 Ų052.3 Ų52.30%026%0.257CS..EExtended strand (participates in β ladder)trans-69.2109.7162.7176.4-11.4000107.7S172 L179 R399 T400 G401 K402 V404S172-D397 WeakPolarHBondContact CB-OD2 3.37Å; S172-D397 PolarHBondContact OG-OD2 3.04Å; L179-D397 HydrophobicContact CD1-CB 3.76Å; D397-R399 PolarHBondContact O-N 3.17Å; D397-R399 VanDerWaalsContact OD1-CB 3.26Å; D397-R399 WeakPolarHBondContact OD1-CB 3.48Å; D397-R399 PolarHBondContact OD1-N 3.26Å; D397-T400 VanDerWaalsContact CB-OG1 3.31Å; D397-T400 WeakPolarHBondContact CB-OG1 3.41Å; D397-T400 PolarHBondContact O-N 3.3Å; D397-T400 PolarHBondContact OD1-N 3.28Å; D397-T400 VanDerWaalsContact OD2-CG2 3.3Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.47Å; D397-T400 PolarHBondContact OD2-OG1 3.24Å; D397-G401 WeakPolarHBondContact O-CA 2.94Å; D397-G401 PolarHBondContact O-N 3.34Å; D397-K402 PolarHBondContact N-O 2.94Å; D397-V404 HydrophobicContact CB-CG1 4Å
398W82.2Confident91.9Very high112 Ų11245.9 Ų45.942%0.42423%0.233SC..THydrogen-bonded Turntrans-57.9-21.1-178.175.4-74.9000113.7P86 E185 Y396P86-W398 HydrophobicContact CG-CH2 3.73Å; P86-W398 HydrophobicContact CG-CZ2 4.22Å; E185-W398 HydrophobicContact CB-CB 4.08Å; Y396-W398 PolarHBondContact O-N 3.47Å
399R76.6Confident91.9Very high36 Ų3643.2 Ų43.214%0.13622%0.222CC..THydrogen-bonded Turntrans-87.9-45.7-175-53.1172.2166.7144.3-10.7111.4L85 L89 E183 D397L85-R399 HydrophobicContact CD2-CB 4.36Å; L85-R399 HydrophobicContact CD2-CG 4.39Å; L89-R399 HydrophobicContact CD1-CB 4.41Å; E183-R399 IonicContact OE1-CZ 3.08Å; E183-R399 IonicContact OE1-NH1 3.81Å; E183-R399 PolarHBondContact OE1-NH1 2.8Å; E183-R399 IonicContact OE1-NH2 3.14Å; E183-R399 PolarHBondContact OE1-NH2 3.1Å; E183-R399 IonicContact OE2-NH1 2.75Å; D397-R399 PolarHBondContact O-N 3.17Å; D397-R399 VanDerWaalsContact OD1-CB 3.26Å; D397-R399 WeakPolarHBondContact OD1-CB 3.48Å; D397-R399 PolarHBondContact OD1-N 3.26Å
400T84.6Confident91.9Very high48 Ų4840.6 Ų40.629%0.29421%0.208SC..THydrogen-bonded Turntrans-89.2-18.1-179.663.40000112.5A174 A175 D397 K402A174-T400 HydrophobicContact CB-CG2 4.23Å; A175-T400 HydrophobicContact CB-CG2 4.23Å; D397-T400 VanDerWaalsContact CB-OG1 3.31Å; D397-T400 WeakPolarHBondContact CB-OG1 3.41Å; D397-T400 PolarHBondContact O-N 3.3Å; D397-T400 PolarHBondContact OD1-N 3.28Å; D397-T400 VanDerWaalsContact OD2-CG2 3.3Å; D397-T400 WeakPolarHBondContact OD2-CG2 3.47Å; D397-T400 PolarHBondContact OD2-OG1 3.24Å; T400-K402 PolarHBondContact O-N 3.03Å; T400-K402 PolarHBondContact OG1-N 2.61Å
401G87.8Confident92.1Very high28 Ų2839 Ų3929%0.28920%0.2SC..  trans66.618.5-175.100000113.3Y396 D397Y396-G401 VanDerWaalsContact CD1-O 3.27Å; Y396-G401 WeakPolarHBondContact CD1-O 3.47Å; Y396-G401 WeakPolarHBondContact CE1-O 3.49Å; D397-G401 WeakPolarHBondContact O-CA 2.94Å; D397-G401 PolarHBondContact O-N 3.34Å
402K92Very high92.2Very high124 Ų12434.7 Ų34.754%0.53917%0.174SC..  trans-108.4151.8179.6-70.5-175.5176.1-1750111.3A174 Y396 D397 T400A174-K402 HydrophobicContact CB-CB 4.36Å; A174-K402 HydrophobicContact CB-CD 3.67Å; Y396-K402 WeakPolarHBondContact CA-O 2.99Å; D397-K402 PolarHBondContact N-O 2.94Å; T400-K402 PolarHBondContact O-N 3.03Å; T400-K402 PolarHBondContact OG1-N 2.61Å
403P94.5Very high92.3Very high39 Ų3932.6 Ų32.625%0.25316%0.164SC..BIsolated β-bridgetrans-66.2149.3178.728.3-35.1000111.4M369 Y394 Y396M369-P403 HydrophobicContact CE-CB 3.99Å; M369-P403 HydrophobicContact CE-CG 4.04Å; Y394-P403 HydrophobicContact CD1-CB 3.95Å; Y394-P403 HydrophobicContact CE1-CB 3.7Å; Y396-P403 HydrophobicContact CE1-CB 4.37Å; Y396-P403 HydrophobicContact CE2-CB 4.34Å
404V95.7Very high92.4Very high1 Ų129.8 Ų29.81%0.00614%0.144CC..  trans-97.8163.2175.8-53.70000111.3Y170 W171 L179 L184 Y394 P395 D397Y170-V404 HydrophobicContact CD1-CG2 3.94Å; W171-V404 WeakPolarHBondContact O-CB 3.37Å; L179-V404 HydrophobicContact CD1-CG1 3.56Å; L184-V404 HydrophobicContact CD2-CG1 4.11Å; L184-V404 HydrophobicContact CD2-CG2 4.14Å; Y394-V404 WeakPolarHBondContact CE1-O 3.37Å; Y394-V404 PolarHBondContact OH-O 3.39Å; P395-V404 HydrophobicContact CB-CG2 3.72Å; P395-V404 HydrophobicContact CG-CG2 3.66Å; P395-V404 PolarHBondContact O-N 2.98Å; D397-V404 HydrophobicContact CB-CG1 4Å
405I96.2Very high92.4Very high1 Ų131 Ų311%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-118.1159.816965175.5000109.8W171 P173 W227 V349 V368 M369 R407W171-I405 HydrophobicContact CB-CG1 4.09Å; W171-I405 PolarHBondContact N-O 3.08Å; W171-I405 PolarHBondContact O-N 2.69Å; P173-I405 HydrophobicContact CG-CD1 3.94Å; P173-I405 HydrophobicContact CG-CG1 3.99Å; P173-I405 HydrophobicContact CG-CG2 4.49Å; W227-I405 HydrophobicContact CH2-CB 4.27Å; W227-I405 HydrophobicContact CZ2-CB 3.86Å; W227-I405 HydrophobicContact CZ2-CG2 3.95Å; V349-I405 HydrophobicContact CG1-CD1 4.16Å; V368-I405 HydrophobicContact CG2-CD1 4.3Å; V368-I405 HydrophobicContact CG2-CG2 4.44Å; M369-I405 HydrophobicContact CG-CG2 3.63Å; M369-I405 HydrophobicContact SD-CG2 3.7Å; I405-R407 HydrophobicContact CD1-CB 4.45Å; I405-R407 HydrophobicContact CG1-CB 4.49Å
406I96.2Very high92.2Very high39 Ų3930.1 Ų30.120%0.215%0.145CC..EExtended strand (participates in β ladder)trans-92.4126.5166.3-61.1170.9000107.4P168 Y170 H330 F332P168-I406 HydrophobicContact CB-CG2 3.71Å; Y170-I406 HydrophobicContact CD1-CG1 4.21Å; Y170-I406 HydrophobicContact CE1-CD1 4.45Å; Y170-I406 HydrophobicContact CE1-CG1 4.22Å; H330-I406 WeakPolarHBondContact CA-O 3.4Å; H330-I406 PolarHBondContact ND1-O 2.84Å; F332-I406 HydrophobicContact CD2-CD1 3.74Å; F332-I406 HydrophobicContact CE2-CD1 3.68Å; F332-I406 HydrophobicContact CE2-CG1 4.05Å; F332-I406 HydrophobicContact CE2-CG2 4.41Å
407R95.7Very high92.1Very high33 Ų3332.2 Ų32.213%0.12516%0.158CC..EExtended strand (participates in β ladder)trans-142.6128.1-179.6177.7-179.6171.4-94.10.5110V169 W171 A329 V349 D350 I405V169-R407 WeakPolarHBondContact CG2-O 3.41Å; V169-R407 PolarHBondContact N-O 3.44Å; V169-R407 PolarHBondContact O-N 2.58Å; W171-R407 HydrophobicContact CB-CB 3.99Å; W171-R407 HydrophobicContact CG-CB 4.39Å; A329-R407 CarbonylContact O-C 3.51Å; V349-R407 PolarHBondContact O-NE 3.17Å; D350-R407 PolarHBondContact O-NE 3.41Å; I405-R407 HydrophobicContact CD1-CB 4.45Å; I405-R407 HydrophobicContact CG1-CB 4.49Å
408S95.8Very high92.2Very high0 Ų037.6 Ų37.60%018%0.184CC..EExtended strand (participates in β ladder)trans-73.3130.2170.9-65.50000111.4F166 K167 P168 A329F166-S408 WeakPolarHBondContact CE2-O 3.48Å; F166-S408 VanDerWaalsContact CZ-CB 3.45Å; F166-S408 WeakPolarHBondContact CZ-O 3.12Å; K167-S408 WeakPolarHBondContact O-CA 3.46Å; P168-S408 WeakPolarHBondContact CA-OG 3.47Å; A329-S408 PolarHBondContact O-N 3.13Å; A329-S408 PolarHBondContact O-OG 3.24Å
409S93.8Very high92.7Very high9 Ų932.4 Ų32.46%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-149.3157.1178.158.20000110.4F166 K167 Q411F166-S409 WeakPolarHBondContact CA-O 3.14Å; K167-S409 PolarHBondContact N-O 2.81Å; K167-S409 VanDerWaalsContact N-O 3.14Å; K167-S409 PolarHBondContact O-N 3.31Å; K167-S409 VanDerWaalsContact O-N 3.11Å; S409-Q411 PolarHBondContact O-N 3.05Å; S409-Q411 WeakPolarHBondContact OG-CG 3.19Å; S409-Q411 PolarHBondContact OG-NE2 3.03Å
410K93.8Very high93.5Very high68 Ų6832.9 Ų32.930%0.29617%0.167SC..EExtended strand (participates in β ladder)trans-70.8116.4173.2-70.2-171.4-179.2-172.20108A165 F166 D472 E473A165-K410 WeakPolarHBondContact O-CA 3.25Å; F166-K410 HydrophobicContact CB-CG 4.27Å; F166-K410 HydrophobicContact CD2-CG 4.07Å; K410-D472 VanDerWaalsContact CD-OD2 3.22Å; K410-D472 WeakPolarHBondContact CD-OD2 3Å; K410-D472 WeakPolarHBondContact CE-OD2 3.48Å; K410-D472 IonicContact NZ-OD2 2.73Å; K410-D472 PolarHBondContact NZ-OD2 3.42Å; K410-E473 IonicContact NZ-OE1 2.94Å; K410-E473 PolarHBondContact NZ-OE1 3.47Å
411Q95.1Very high93.9Very high3 Ų336.3 Ų36.31%0.01418%0.18CC..EExtended strand (participates in β ladder)trans-138.8162.8-178.6-60.5-69.3-23.300109.8R164 A165 V169 S409 F413 S454 Q456R164-Q411 WeakPolarHBondContact CA-O 3.44Å; A165-Q411 PolarHBondContact N-O 3.4Å; A165-Q411 PolarHBondContact O-N 2.97Å; V169-Q411 HydrophobicContact CG1-CG 4.15Å; S409-Q411 PolarHBondContact O-N 3.05Å; S409-Q411 WeakPolarHBondContact OG-CG 3.19Å; S409-Q411 PolarHBondContact OG-NE2 3.03Å; Q411-F413 HydrophobicContact CB-CD2 4.4Å; Q411-F413 HydrophobicContact CB-CE2 3.6Å; Q411-F413 HydrophobicContact CB-CZ 3.74Å; Q411-F413 VanDerWaalsContact O-CD2 3.29Å; Q411-F413 WeakPolarHBondContact O-CD2 3.33Å; Q411-F413 WeakPolarHBondContact O-CE2 3.33Å; Q411-S454 WeakPolarHBondContact CA-OG 3.35Å; Q411-S454 WeakPolarHBondContact CB-OG 3.17Å; Q411-S454 PolarHBondContact OE1-O 2.94Å; Q411-S454 PolarHBondContact OE1-OG 3.46Å; Q411-Q456 VanDerWaalsContact NE2-NE2 3.11Å
412W96.4Very high94.1Very high0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-90134.4172.5-70.789000111F153 Y157 I162 R164 C452 I453 S454 I463 V465 Y467 P474F153-W412 HydrophobicContact CE2-CD2 4.38Å; F153-W412 HydrophobicContact CE2-CE3 4.08Å; F153-W412 HydrophobicContact CE2-CZ3 4.48Å; F153-W412 HydrophobicContact CZ-CD2 4.11Å; F153-W412 AromaticContact CZ-CE3 3.8Å; F153-W412 HydrophobicContact CZ-CE3 3.8Å; F153-W412 HydrophobicContact CZ-CH2 4.18Å; F153-W412 HydrophobicContact CZ-CZ2 4.5Å; F153-W412 AromaticContact CZ-CZ3 3.83Å; F153-W412 HydrophobicContact CZ-CZ3 3.83Å; Y157-W412 HydrophobicContact CD2-CH2 4.45Å; Y157-W412 AromaticContact CD2-CZ3 3.96Å; Y157-W412 HydrophobicContact CD2-CZ3 3.96Å; Y157-W412 HydrophobicContact CE2-CH2 4.29Å; Y157-W412 HydrophobicContact CE2-CZ3 4.13Å; I162-W412 HydrophobicContact CG2-CE3 3.54Å; I162-W412 HydrophobicContact CG2-CZ3 3.89Å; R164-W412 HydrophobicContact CB-CD2 3.98Å; R164-W412 HydrophobicContact CB-CE3 4.05Å; R164-W412 HydrophobicContact CB-CH2 4.13Å; R164-W412 HydrophobicContact CB-CZ2 4.01Å; R164-W412 HydrophobicContact CB-CZ3 4.14Å; R164-W412 HydrophobicContact CG-CD2 4.3Å; R164-W412 HydrophobicContact CG-CZ2 4.39Å; W412-C452 CarbonylContact O-C 3.54Å; W412-C452 WeakPolarHBondContact O-CA 3.31Å; W412-I453 HydrophobicContact CB-CD1 4.29Å; W412-I453 HydrophobicContact CB-CG1 3.8Å; W412-I453 WeakPolarHBondContact O-CG1 3.42Å; W412-I453 PolarHBondContact O-N 3.18Å; W412-S454 PolarHBondContact N-OG 3.22Å; W412-I463 HydrophobicContact CB-CD1 4.48Å; W412-I463 HydrophobicContact CG-CD1 4.26Å; W412-V465 HydrophobicContact CH2-CG2 4.09Å; W412-V465 HydrophobicContact CZ2-CB 4.19Å; W412-V465 HydrophobicContact CZ2-CG1 3.98Å; W412-V465 HydrophobicContact CZ2-CG2 3.72Å; W412-Y467 HydrophobicContact CZ2-CE1 4.34Å; W412-Y467 PolarHBondContact NE1-OH 3.31Å; W412-P474 HydrophobicContact CH2-CB 4.23Å; W412-P474 HydrophobicContact CH2-CG 3.94Å; W412-P474 HydrophobicContact CZ2-CB 4.35Å; W412-P474 HydrophobicContact CZ2-CG 3.94Å
413F95.5Very high94.2Very high9 Ų930.9 Ų30.94%0.03915%0.152CC..EExtended strand (participates in β ladder)trans-128.4140.5-178-62.4-89.6000111.7I162 F163 A165 K167 V169 Q411 L450 W451 C452I162-F413 WeakPolarHBondContact CA-O 3.49Å; F163-F413 HydrophobicContact CE1-CB 4.27Å; F163-F413 HydrophobicContact CE2-CB 4.34Å; F163-F413 HydrophobicContact CZ-CB 4.07Å; F163-F413 PolarHBondContact N-O 2.98Å; F163-F413 PolarHBondContact O-N 3.42Å; A165-F413 HydrophobicContact CB-CD2 4.29Å; A165-F413 HydrophobicContact CB-CE2 4.4Å; K167-F413 HydrophobicContact CB-CE2 3.96Å; K167-F413 HydrophobicContact CB-CZ 3.71Å; K167-F413 HydrophobicContact CD-CE2 4.28Å; K167-F413 HydrophobicContact CD-CZ 4.4Å; K167-F413 HydrophobicContact CG-CE2 4.44Å; V169-F413 HydrophobicContact CG1-CE1 4.27Å; V169-F413 HydrophobicContact CG1-CZ 4.03Å; Q411-F413 HydrophobicContact CB-CD2 4.4Å; Q411-F413 HydrophobicContact CB-CE2 3.6Å; Q411-F413 HydrophobicContact CB-CZ 3.74Å; Q411-F413 VanDerWaalsContact O-CD2 3.29Å; Q411-F413 WeakPolarHBondContact O-CD2 3.33Å; Q411-F413 WeakPolarHBondContact O-CE2 3.33Å; F413-L450 HydrophobicContact CB-CB 4.44Å; F413-L450 HydrophobicContact CD1-CB 3.98Å; F413-W451 CarbonylContact C-O 3.58Å; F413-W451 WeakPolarHBondContact CA-O 3.44Å; F413-C452 HydrophobicContact CD1-CB 3.95Å; F413-C452 HydrophobicContact CE1-CB 3.64Å; F413-C452 HydrophobicContact CZ-CB 4.42Å
414V95Very high94.2Very high3 Ų330.5 Ų30.52%0.01815%0.148CC..EExtended strand (participates in β ladder)trans-88.9130.4160.8177.70000108.6L161 I162 T416 L419 L450 W451 I453 F525L161-V414 CarbonylContact O-C 3.51Å; L161-V414 WeakPolarHBondContact O-CA 3.35Å; I162-V414 HydrophobicContact CD1-CG2 4.2Å; I162-V414 HydrophobicContact CG1-CG2 3.81Å; V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 HydrophobicContact CG1-CG2 4.32Å; V414-T416 PolarHBondContact O-N 3.17Å; V414-L419 HydrophobicContact CG1-CD1 4.23Å; V414-L450 WeakPolarHBondContact O-CA 3.36Å; V414-W451 HydrophobicContact CB-CB 4.27Å; V414-W451 HydrophobicContact CB-CE3 4.39Å; V414-W451 HydrophobicContact CG2-CE3 4.42Å; V414-W451 PolarHBondContact N-O 3.04Å; V414-W451 PolarHBondContact O-N 2.71Å; V414-I453 HydrophobicContact CG2-CD1 4.05Å; V414-I453 HydrophobicContact CG2-CG1 4.46Å; V414-I453 HydrophobicContact CG2-CG2 3.69Å; V414-F525 HydrophobicContact CG2-CD2 4.43Å; V414-F525 HydrophobicContact CG2-CE2 4.21Å
415H93.8Very high94.2Very high49 Ų4933.6 Ų33.623%0.22717%0.165CC..  trans-77.774178-155.3-43.3000111.8L161 F163 D417 Q418 L450L161-H415 PolarHBondContact O-N 3.45Å; F163-H415 HydrophobicContact CE1-CB 3.91Å; F163-H415 AromaticContact CE1-CD2 3.83Å; H415-D417 PolarHBondContact O-N 3.28Å; H415-D417 VanDerWaalsContact O-N 3.14Å; H415-Q418 HydrophobicContact CB-CG 4.42Å; H415-Q418 PolarHBondContact CD2-NE2 3.15Å; H415-Q418 VanDerWaalsContact CD2-NE2 3.34Å; H415-Q418 PolarHBondContact O-N 2.96Å; H415-Q418 VanDerWaalsContact O-N 3.15Å; H415-L450 HydrophobicContact CB-CD2 4.39Å
416T91.3Very high94Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-60.8-26.4-176.3510000113.4V414 Q418 L419 K420 R448 P449 L450 W451 F561V414-T416 VanDerWaalsContact C-N 3.31Å; V414-T416 HydrophobicContact CG1-CG2 4.32Å; V414-T416 PolarHBondContact O-N 3.17Å; T416-Q418 VanDerWaalsContact C-N 3.34Å; T416-Q418 PolarHBondContact O-N 3Å; T416-L419 CarbonylContact O-C 3.53Å; T416-L419 PolarHBondContact O-N 3.36Å; T416-L419 VanDerWaalsContact O-N 3.07Å; T416-K420 PolarHBondContact O-N 2.82Å; T416-R448 PolarHBondContact OG1-O 3.43Å; T416-P449 PolarHBondContact N-O 3.1Å; T416-P449 VanDerWaalsContact N-O 3.14Å; T416-P449 PolarHBondContact OG1-O 3.37Å; T416-L450 PolarHBondContact OG1-N 3.02Å; T416-W451 HydrophobicContact CG2-CB 3.82Å; T416-F561 HydrophobicContact CG2-CD1 4.15Å; T416-F561 HydrophobicContact CG2-CD2 4.3Å; T416-F561 HydrophobicContact CG2-CE1 4.11Å; T416-F561 HydrophobicContact CG2-CE2 4.26Å; T416-F561 HydrophobicContact CG2-CG 4.26Å; T416-F561 HydrophobicContact CG2-CZ 4.17Å
417D90.9Very high93.9Very high74 Ų7432.5 Ų32.540%0.39616%0.16SC..Hα-helixtrans-60.6-39176.1-157.156.2000113.4H415 L419 K420 P449H415-D417 PolarHBondContact O-N 3.28Å; H415-D417 VanDerWaalsContact O-N 3.14Å; D417-L419 PolarHBondContact O-N 3.28Å; D417-K420 VanDerWaalsContact O-CB 3.24Å; D417-K420 WeakPolarHBondContact O-CB 3.38Å; D417-K420 PolarHBondContact O-N 2.95Å; D417-K420 VanDerWaalsContact OD1-CE 3.32Å; D417-K420 WeakPolarHBondContact OD1-CE 3.48Å; D417-K420 IonicContact OD1-NZ 2.68Å; D417-K420 PolarHBondContact OD1-NZ 3.42Å; D417-P449 HydrophobicContact CB-CB 4.4Å; D417-P449 PolarHBondContact N-O 2.97Å
418Q92.5Very high93.7Very high114 Ų11438.6 Ų38.653%0.53319%0.19SC..Hα-helixtrans-68.4-22.8176.4-69.3-178.420.500112.4L161 H415 T416L161-Q418 HydrophobicContact CD2-CB 3.94Å; H415-Q418 HydrophobicContact CB-CG 4.42Å; H415-Q418 PolarHBondContact CD2-NE2 3.15Å; H415-Q418 VanDerWaalsContact CD2-NE2 3.34Å; H415-Q418 PolarHBondContact O-N 2.96Å; H415-Q418 VanDerWaalsContact O-N 3.15Å; T416-Q418 VanDerWaalsContact C-N 3.34Å; T416-Q418 PolarHBondContact O-N 3Å
419L93.2Very high93.6Very high3 Ų346.6 Ų46.62%0.01623%0.225CC..Hα-helixtrans-93.2-13178.1-59.6175000112.7L161 V414 T416 D417 Q421 C422 A423 F561 V564 A565L161-L419 HydrophobicContact CD1-CD2 3.86Å; L161-L419 HydrophobicContact CD2-CD1 4.44Å; L161-L419 HydrophobicContact CD2-CD2 3.87Å; L161-L419 HydrophobicContact CD2-CG 3.96Å; V414-L419 HydrophobicContact CG1-CD1 4.23Å; T416-L419 CarbonylContact O-C 3.53Å; T416-L419 PolarHBondContact O-N 3.36Å; T416-L419 VanDerWaalsContact O-N 3.07Å; D417-L419 PolarHBondContact O-N 3.28Å; L419-Q421 PolarHBondContact O-N 2.98Å; L419-C422 PolarHBondContact O-N 3.33Å; L419-A423 WeakPolarHBondContact O-CB 3.38Å; L419-A423 PolarHBondContact O-N 2.77Å; L419-F561 HydrophobicContact CB-CD1 4.05Å; L419-F561 HydrophobicContact CB-CE1 4.34Å; L419-F561 HydrophobicContact CD1-CD1 4.31Å; L419-V564 HydrophobicContact CD2-CG1 4.41Å; L419-A565 HydrophobicContact CD1-CB 3.77Å; L419-A565 HydrophobicContact CD2-CB 4.11Å
420K92.8Very high93.6Very high45 Ų4546.6 Ų46.620%0.19623%0.225CC..Hα-helixtrans-56.2-52.4-168-177.5-179.4-73.8168.80112.3T416 D417 C422 A423 L424 I445 S446T416-K420 PolarHBondContact O-N 2.82Å; D417-K420 VanDerWaalsContact O-CB 3.24Å; D417-K420 WeakPolarHBondContact O-CB 3.38Å; D417-K420 PolarHBondContact O-N 2.95Å; D417-K420 VanDerWaalsContact OD1-CE 3.32Å; D417-K420 WeakPolarHBondContact OD1-CE 3.48Å; D417-K420 IonicContact OD1-NZ 2.68Å; D417-K420 PolarHBondContact OD1-NZ 3.42Å; K420-C422 PolarHBondContact O-N 2.75Å; K420-A423 PolarHBondContact O-N 2.85Å; K420-L424 HydrophobicContact CG-CD1 4.21Å; K420-L424 WeakPolarHBondContact O-CG 3.42Å; K420-L424 PolarHBondContact O-N 3.4Å; K420-I445 WeakPolarHBondContact CE-O 3.49Å; K420-I445 HydrophobicContact CG-CG2 4.21Å; K420-S446 WeakPolarHBondContact CE-O 3.28Å; K420-S446 PolarHBondContact NZ-O 2.99Å; K420-S446 VanDerWaalsContact NZ-O 3.09Å
421Q93.2Very high93.7Very high121 Ų12146.9 Ų46.957%0.56523%0.229SC*.Hα-helixtrans-63-46.9-178-170.859.647.400111.4L419 A423 L424 D425L419-Q421 PolarHBondContact O-N 2.98Å; Q421-A423 VanDerWaalsContact C-N 3.28Å; Q421-A423 PolarHBondContact O-N 2.97Å; Q421-L424 PolarHBondContact O-N 2.93Å; Q421-L424 VanDerWaalsContact O-N 3.17Å; Q421-D425 PolarHBondContact NE2-OD1 2.76Å; Q421-D425 PolarHBondContact O-N 3.48Å
422C93.7Very high93.6Very high37 Ų3746.8 Ų46.825%0.2523%0.229CC..Hα-helixtrans-63.8-34.1178.9-169.40000112.4L419 K420 S426 V564L419-C422 PolarHBondContact O-N 3.33Å; K420-C422 PolarHBondContact O-N 2.75Å; C422-S426 VanDerWaalsContact O-CB 3.25Å; C422-S426 WeakPolarHBondContact O-CB 3.5Å; C422-S426 PolarHBondContact O-N 3.09Å; C422-S426 PolarHBondContact O-OG 3.01Å; C422-V564 HydrophobicContact CB-CG1 3.69Å; C422-V564 VanDerWaalsContact SG-CG1 3.55Å
423A94Very high93.3Very high0 Ų048.8 Ų48.80%024%0.238CC..Hα-helixtrans-67.3-43.2173.900000112L419 K420 Q421 S426 L427 I445 L560 F561L419-A423 WeakPolarHBondContact O-CB 3.38Å; L419-A423 PolarHBondContact O-N 2.77Å; K420-A423 PolarHBondContact O-N 2.85Å; Q421-A423 VanDerWaalsContact C-N 3.28Å; Q421-A423 PolarHBondContact O-N 2.97Å; A423-S426 PolarHBondContact O-N 3.29Å; A423-L427 VanDerWaalsContact O-CB 3.31Å; A423-L427 WeakPolarHBondContact O-CB 3.47Å; A423-L427 PolarHBondContact O-N 3.14Å; A423-I445 HydrophobicContact CB-CG2 4.29Å; A423-L560 HydrophobicContact CB-CD2 4.05Å; A423-L560 HydrophobicContact CB-CG 4.18Å; A423-F561 HydrophobicContact CB-CD1 4.43Å; A423-F561 HydrophobicContact CB-CE1 4.19Å
424L94Very high93Very high31 Ų3150.2 Ų50.216%0.16225%0.248CC..Hα-helixtrans-63.6-46.1175.3-69.3173.3000111.7K420 Q421 S426 L427 Q428 V442 I445K420-L424 HydrophobicContact CG-CD1 4.21Å; K420-L424 WeakPolarHBondContact O-CG 3.42Å; K420-L424 PolarHBondContact O-N 3.4Å; Q421-L424 PolarHBondContact O-N 2.93Å; Q421-L424 VanDerWaalsContact O-N 3.17Å; L424-S426 VanDerWaalsContact C-N 3.29Å; L424-S426 PolarHBondContact O-N 3.24Å; L424-L427 PolarHBondContact O-N 3.12Å; L424-Q428 WeakPolarHBondContact O-CG 3.3Å; L424-Q428 PolarHBondContact O-N 3.38Å; L424-Q428 VanDerWaalsContact O-N 3.12Å; L424-V442 HydrophobicContact CD2-CB 4.48Å; L424-V442 HydrophobicContact CD2-CG1 3.99Å; L424-V442 HydrophobicContact CD2-CG2 4.49Å; L424-I445 HydrophobicContact CD2-CB 4.14Å; L424-I445 HydrophobicContact CD2-CD1 4.39Å; L424-I445 HydrophobicContact CD2-CG2 3.88Å; L424-I445 HydrophobicContact CG-CG2 4Å
425D94.7Very high92.7Very high66 Ų6655.9 Ų55.935%0.35327%0.274SS..Hα-helixtrans-63.7-36.6178-61.6-19.4000111.7Q421Q421-D425 PolarHBondContact NE2-OD1 2.76Å; Q421-D425 PolarHBondContact O-N 3.48Å
426S93.6Very high92.3Very high11 Ų1157.7 Ų57.78%0.07729%0.292CS..Hα-helixtrans-69.1-40.6174.8-64.40000111.6C422 A423 L424 Q428 K429C422-S426 VanDerWaalsContact O-CB 3.25Å; C422-S426 WeakPolarHBondContact O-CB 3.5Å; C422-S426 PolarHBondContact O-N 3.09Å; C422-S426 PolarHBondContact O-OG 3.01Å; A423-S426 PolarHBondContact O-N 3.29Å; L424-S426 VanDerWaalsContact C-N 3.29Å; L424-S426 PolarHBondContact O-N 3.24Å; S426-Q428 VanDerWaalsContact C-N 3.3Å; S426-Q428 PolarHBondContact O-N 3.1Å; S426-K429 PolarHBondContact O-N 3.07Å; S426-K429 VanDerWaalsContact O-N 3.16Å
427L92.3Very high92.1Very high6 Ų659 Ų593%0.03130%0.298CS..Hα-helixtrans-66-31.3-179-170.966.7000112.4A423 L424 K429 V430 I432 M441 V442 I445 L560A423-L427 VanDerWaalsContact O-CB 3.31Å; A423-L427 WeakPolarHBondContact O-CB 3.47Å; A423-L427 PolarHBondContact O-N 3.14Å; L424-L427 PolarHBondContact O-N 3.12Å; L427-K429 PolarHBondContact O-N 2.84Å; L427-K429 VanDerWaalsContact O-N 3.15Å; L427-V430 HydrophobicContact CD1-CB 4.46Å; L427-V430 WeakPolarHBondContact O-CB 3.2Å; L427-V430 PolarHBondContact O-N 3.37Å; L427-I432 HydrophobicContact CD1-CD1 4.04Å; L427-M441 HydrophobicContact CD1-SD 4.42Å; L427-M441 HydrophobicContact CD2-CB 3.96Å; L427-V442 HydrophobicContact CD2-CG2 3.85Å; L427-I445 HydrophobicContact CD2-CD1 3.72Å; L427-L560 HydrophobicContact CB-CD2 4.47Å; L427-L560 HydrophobicContact CD1-CD2 4.42Å
428Q92.9Very high92Very high161 Ų16157.4 Ų57.475%0.75229%0.291SS*.THydrogen-bonded Turntrans-60.4-21.4174.3-72.7177.33.100113.6L424 S426L424-Q428 WeakPolarHBondContact O-CG 3.3Å; L424-Q428 PolarHBondContact O-N 3.38Å; L424-Q428 VanDerWaalsContact O-N 3.12Å; S426-Q428 VanDerWaalsContact C-N 3.3Å; S426-Q428 PolarHBondContact O-N 3.1Å
429K93.1Very high91.8Very high169 Ų16958 Ų5874%0.73530%0.298SS*.THydrogen-bonded Turntrans-95.45.5179.4-56.6176.5-174.41750112.8S426 L427S426-K429 PolarHBondContact O-N 3.07Å; S426-K429 VanDerWaalsContact O-N 3.16Å; L427-K429 PolarHBondContact O-N 2.84Å; L427-K429 VanDerWaalsContact O-N 3.15Å
430V94.6Very high91.4Very high9 Ų960.1 Ų60.16%0.05531%0.313CS..SBendtrans-107.7126.5-178.9177.50000109.2L427 I432 A570 Y572 K573 V575L427-V430 HydrophobicContact CD1-CB 4.46Å; L427-V430 WeakPolarHBondContact O-CB 3.2Å; L427-V430 PolarHBondContact O-N 3.37Å; V430-I432 HydrophobicContact CG1-CG1 4.16Å; V430-A570 HydrophobicContact CG2-CB 3.78Å; V430-Y572 HydrophobicContact CG1-CD2 3.68Å; V430-Y572 HydrophobicContact CG1-CE2 3.77Å; V430-Y572 HydrophobicContact CG2-CD2 4.05Å; V430-Y572 HydrophobicContact CG2-CE2 4.04Å; V430-K573 WeakPolarHBondContact CA-O 2.98Å; V430-K573 WeakPolarHBondContact CG1-O 3.38Å; V430-V575 HydrophobicContact CG1-CG2 3.71Å
431D94.5Very high91.1Very high73 Ų7358.3 Ų58.339%0.3931%0.305SS..EExtended strand (participates in β ladder)trans-84.5123.3172.1-58-52.1000110.2F433 K573 H574 V575D431-F433 HydrophobicContact CB-CE2 3.68Å; D431-F433 HydrophobicContact CB-CZ 3.93Å; D431-K573 PolarHBondContact N-O 3.49Å; D431-H574 CarbonylContact O-C 3.52Å; D431-H574 VanDerWaalsContact O-CA 3.31Å; D431-H574 WeakPolarHBondContact O-CA 3.29Å; D431-H574 IonicContact OD2-CE1 2.77Å; D431-H574 PolarHBondContact OD2-CE1 3.37Å; D431-H574 VanDerWaalsContact OD2-CE1 3.27Å; D431-H574 IonicContact OD2-ND1 2.69Å; D431-H574 PolarHBondContact OD2-ND1 3.29Å; D431-V575 PolarHBondContact O-N 3.48Å
432I93.2Very high90.9Very high1 Ų155.1 Ų55.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-110.2129.1-179.3-59.8167.9000109.2L427 V430 P434 H435 H437 V438 M441 V575 V577L427-I432 HydrophobicContact CD1-CD1 4.04Å; V430-I432 HydrophobicContact CG1-CG1 4.16Å; I432-P434 CarbonylContact O-C 3.54Å; I432-H435 VanDerWaalsContact O-CA 3.26Å; I432-H435 WeakPolarHBondContact O-CA 3.17Å; I432-H435 PolarHBondContact O-N 2.75Å; I432-H435 VanDerWaalsContact O-N 3.1Å; I432-H435 PolarHBondContact O-ND1 2.8Å; I432-H437 HydrophobicContact CG2-CB 4.07Å; I432-V438 HydrophobicContact CB-CG2 3.91Å; I432-V438 HydrophobicContact CD1-CB 4.41Å; I432-V438 HydrophobicContact CD1-CG2 3.88Å; I432-V438 HydrophobicContact CG1-CG2 4.31Å; I432-M441 HydrophobicContact CD1-CE 4.48Å; I432-M441 HydrophobicContact CD1-SD 3.51Å; I432-M441 VanDerWaalsContact CD1-SD 3.51Å; I432-M441 HydrophobicContact CG1-SD 4.46Å; I432-V575 CarbonylContact C-O 3.46Å; I432-V575 WeakPolarHBondContact CA-O 3.41Å; I432-V575 HydrophobicContact CG1-CB 4.14Å; I432-V575 HydrophobicContact CG1-CG2 4.46Å; I432-V575 HydrophobicContact CG2-CB 4.49Å; I432-V577 HydrophobicContact CG2-CG2 4.42Å
433F91.4Very high90.6Very high43 Ų4358.4 Ų58.419%0.18931%0.306CS..EExtended strand (participates in β ladder)trans-117.4120.2-178.5-58.9-89.6000110.3D431 H574 V575 I576 V577 Y703D431-F433 HydrophobicContact CB-CE2 3.68Å; D431-F433 HydrophobicContact CB-CZ 3.93Å; F433-H574 HydrophobicContact CE2-CB 4.17Å; F433-H574 AromaticContact CE2-ND1 4Å; F433-V575 PolarHBondContact N-O 2.94Å; F433-I576 HydrophobicContact CB-CG1 4.2Å; F433-I576 HydrophobicContact CD2-CG1 4.45Å; F433-I576 WeakPolarHBondContact O-CA 3.37Å; F433-V577 PolarHBondContact O-N 2.66Å; F433-Y703 AromaticContact CD2-CD2 3.94Å; F433-Y703 HydrophobicContact CD2-CD2 3.94Å; F433-Y703 HydrophobicContact CD2-CE2 4.39Å; F433-Y703 HydrophobicContact CE1-CD2 4.5Å; F433-Y703 AromaticContact CE2-CD2 3.81Å; F433-Y703 HydrophobicContact CE2-CD2 3.81Å; F433-Y703 AromaticContact CE2-CE2 3.92Å; F433-Y703 HydrophobicContact CE2-CE2 3.92Å; F433-Y703 HydrophobicContact CG-CD2 4.35Å; F433-Y703 HydrophobicContact CZ-CD2 4.11Å; F433-Y703 HydrophobicContact CZ-CE2 4.33Å
434P88.1Confident89.9Confident39 Ų3959.9 Ų59.925%0.25331%0.313SS..SBendcis-68.3150.8-10.4-21.133000114.2I432 S436 H437I432-P434 CarbonylContact O-C 3.54Å; P434-S436 PolarHBondContact O-N 2.74Å; P434-H437 PolarHBondContact O-N 3.48Å
435H88.5Confident89.5Confident122 Ų12258.5 Ų58.557%0.56531%0.306SS*.G310 helixtrans-58.6-19.5-179.9-79.1-70.5000114.4I432 H437 V438I432-H435 VanDerWaalsContact O-CA 3.26Å; I432-H435 WeakPolarHBondContact O-CA 3.17Å; I432-H435 PolarHBondContact O-N 2.75Å; I432-H435 VanDerWaalsContact O-N 3.1Å; I432-H435 PolarHBondContact O-ND1 2.8Å; H435-H437 PolarHBondContact O-N 3.31Å; H435-H437 VanDerWaalsContact O-N 3.12Å; H435-V438 VanDerWaalsContact O-CG2 3.23Å; H435-V438 WeakPolarHBondContact O-CG2 3.34Å; H435-V438 PolarHBondContact O-N 3.13Å
436S85.9Confident88.9Confident87 Ų8758 Ų5861%0.60831%0.307SS*.G310 helixtrans-59.9-21.4177.3510000114P434P434-S436 PolarHBondContact O-N 2.74Å
437H87.6Confident88.2Confident26 Ų2665.9 Ų65.912%0.1234%0.335CS..G310 helixtrans-83.9-11.6-178.6-63.8-60000114.5I432 P434 H435 N439 S440 M441 L549I432-H437 HydrophobicContact CG2-CB 4.07Å; P434-H437 PolarHBondContact O-N 3.48Å; H435-H437 PolarHBondContact O-N 3.31Å; H435-H437 VanDerWaalsContact O-N 3.12Å; H437-N439 PolarHBondContact O-N 3.14Å; H437-S440 PolarHBondContact O-N 3.19Å; H437-M441 PolarHBondContact O-N 3.35Å; H437-M441 VanDerWaalsContact O-N 3.13Å; H437-L549 WeakPolarHBondContact CE1-CD1 3.19Å
438V88Confident87.1Confident41 Ų4168.7 Ų68.725%0.24835%0.345CS..Hα-helixtrans-56.5-50.1-1801780000110.9I432 H435 S440 M441 V442I432-V438 HydrophobicContact CB-CG2 3.91Å; I432-V438 HydrophobicContact CD1-CB 4.41Å; I432-V438 HydrophobicContact CD1-CG2 3.88Å; I432-V438 HydrophobicContact CG1-CG2 4.31Å; H435-V438 VanDerWaalsContact O-CG2 3.23Å; H435-V438 WeakPolarHBondContact O-CG2 3.34Å; H435-V438 PolarHBondContact O-N 3.13Å; V438-S440 VanDerWaalsContact C-N 3.29Å; V438-S440 PolarHBondContact O-N 3.32Å; V438-M441 PolarHBondContact O-N 3.47Å; V438-V442 HydrophobicContact CG1-CG2 4.31Å; V438-V442 WeakPolarHBondContact O-CG2 3.47Å; V438-V442 PolarHBondContact O-N 3.49Å
439N88.3Confident86.6Confident128 Ų12864.5 Ų64.568%0.68433%0.332SS*.Hα-helixtrans-61-39.1-178-68.6-17.3000112.1H437 M441 V442 E443H437-N439 PolarHBondContact O-N 3.14Å; N439-M441 VanDerWaalsContact C-N 3.33Å; N439-M441 PolarHBondContact O-N 3.16Å; N439-V442 PolarHBondContact O-N 3.02Å; N439-E443 WeakPolarHBondContact O-CB 3.5Å; N439-E443 PolarHBondContact O-N 3.02Å
440S84.7Confident86.5Confident47 Ų4758.1 Ų58.133%0.32931%0.306SS..Hα-helixtrans-66.6-33.5177.1-177.20000112.5H437 V438 M444H437-S440 PolarHBondContact O-N 3.19Å; V438-S440 VanDerWaalsContact C-N 3.29Å; V438-S440 PolarHBondContact O-N 3.32Å; S440-M444 WeakPolarHBondContact O-CB 3.44Å
441M86.4Confident86.3Confident6 Ų657.9 Ų57.93%0.0330%0.304CS..Hα-helixtrans-71.7-45.2174.8-72.7-170.6-178.200111.3L427 I432 H437 V438 N439 M444 I445 V552 F556 V575 V577L427-M441 HydrophobicContact CD1-SD 4.42Å; L427-M441 HydrophobicContact CD2-CB 3.96Å; I432-M441 HydrophobicContact CD1-CE 4.48Å; I432-M441 HydrophobicContact CD1-SD 3.51Å; I432-M441 VanDerWaalsContact CD1-SD 3.51Å; I432-M441 HydrophobicContact CG1-SD 4.46Å; H437-M441 PolarHBondContact O-N 3.35Å; H437-M441 VanDerWaalsContact O-N 3.13Å; V438-M441 PolarHBondContact O-N 3.47Å; N439-M441 VanDerWaalsContact C-N 3.33Å; N439-M441 PolarHBondContact O-N 3.16Å; M441-M444 PolarHBondContact O-N 3.39Å; M441-I445 WeakPolarHBondContact O-CG1 3.26Å; M441-I445 PolarHBondContact O-N 3.18Å; M441-I445 VanDerWaalsContact O-N 3.12Å; M441-V552 HydrophobicContact CE-CB 4.49Å; M441-V552 HydrophobicContact CE-CG1 4.18Å; M441-V552 HydrophobicContact CE-CG2 4.02Å; M441-V552 HydrophobicContact CG-CG1 3.75Å; M441-F556 HydrophobicContact CE-CB 4.19Å; M441-F556 HydrophobicContact CE-CD2 3.68Å; M441-F556 HydrophobicContact CE-CE2 4.18Å; M441-F556 HydrophobicContact CE-CG 3.99Å; M441-V575 HydrophobicContact CE-CG1 4.22Å; M441-V577 HydrophobicContact CE-CG2 4.3Å
442V90.1Very high86.3Confident55 Ų5555 Ų5533%0.33329%0.289SS..Hα-helixtrans-60.1-53.6179.21700000111.4L424 L427 V438 N439 M444 I445 S446L424-V442 HydrophobicContact CD2-CB 4.48Å; L424-V442 HydrophobicContact CD2-CG1 3.99Å; L424-V442 HydrophobicContact CD2-CG2 4.49Å; L427-V442 HydrophobicContact CD2-CG2 3.85Å; V438-V442 HydrophobicContact CG1-CG2 4.31Å; V438-V442 WeakPolarHBondContact O-CG2 3.47Å; V438-V442 PolarHBondContact O-N 3.49Å; N439-V442 PolarHBondContact O-N 3.02Å; V442-M444 PolarHBondContact O-N 2.98Å; V442-M444 VanDerWaalsContact O-N 3.13Å; V442-I445 PolarHBondContact O-N 2.91Å; V442-I445 VanDerWaalsContact O-N 3.17Å; V442-S446 PolarHBondContact O-N 3.42Å; V442-S446 PolarHBondContact O-OG 3.42Å
443E86Confident86.3Confident106 Ų10654.9 Ų54.950%0.49529%0.289SS..Hα-helixtrans-55.4-37.2-177.8-175.3-178.3177.400111.7N439 S446 R447N439-E443 WeakPolarHBondContact O-CB 3.5Å; N439-E443 PolarHBondContact O-N 3.02Å; E443-S446 WeakPolarHBondContact O-CB 3.47Å; E443-S446 PolarHBondContact O-N 3.11Å; E443-R447 WeakPolarHBondContact O-CG 3.35Å; E443-R447 PolarHBondContact O-N 3.17Å; E443-R447 IonicContact OE1-CZ 3.2Å; E443-R447 IonicContact OE1-NE 2.72Å; E443-R447 IonicContact OE1-NH2 3.44Å; E443-R447 PolarHBondContact OE1-NH2 3.45Å
444M80Confident86.5Confident31 Ų3152.9 Ų52.915%0.15328%0.28CS..Hα-helixtrans-78.9-34.4-176.7-168.9167.547.900113.2S440 M441 V442 S446 R447 V552 R553 Q557S440-M444 WeakPolarHBondContact O-CB 3.44Å; M441-M444 PolarHBondContact O-N 3.39Å; V442-M444 PolarHBondContact O-N 2.98Å; V442-M444 VanDerWaalsContact O-N 3.13Å; M444-S446 PolarHBondContact O-N 3.5Å; M444-R447 PolarHBondContact O-N 3.29Å; M444-V552 VanDerWaalsContact CE-C 3.49Å; M444-V552 HydrophobicContact CE-CG1 4.13Å; M444-V552 WeakPolarHBondContact CE-O 3.49Å; M444-R553 HydrophobicContact CE-CB 4.16Å; M444-R553 HydrophobicContact CE-CG 4.04Å; M444-R553 VanDerWaalsContact SD-CA 3.55Å; M444-R553 HydrophobicContact SD-CB 3.75Å; M444-R553 HydrophobicContact SD-CG 3.63Å; M444-Q557 VanDerWaalsContact CB-NE2 3.3Å; M444-Q557 HydrophobicContact CE-CG 4.05Å
445I85.3Confident86.8Confident2 Ų251.2 Ų51.21%0.0127%0.268CS..Hα-helixtrans-60.1-35.3170.6-69.3165.4000110K420 A423 L424 L427 M441 V442 R447 L560 F561K420-I445 WeakPolarHBondContact CE-O 3.49Å; K420-I445 HydrophobicContact CG-CG2 4.21Å; A423-I445 HydrophobicContact CB-CG2 4.29Å; L424-I445 HydrophobicContact CD2-CB 4.14Å; L424-I445 HydrophobicContact CD2-CD1 4.39Å; L424-I445 HydrophobicContact CD2-CG2 3.88Å; L424-I445 HydrophobicContact CG-CG2 4Å; L427-I445 HydrophobicContact CD2-CD1 3.72Å; M441-I445 WeakPolarHBondContact O-CG1 3.26Å; M441-I445 PolarHBondContact O-N 3.18Å; M441-I445 VanDerWaalsContact O-N 3.12Å; V442-I445 PolarHBondContact O-N 2.91Å; V442-I445 VanDerWaalsContact O-N 3.17Å; I445-R447 PolarHBondContact O-N 2.91Å; I445-L560 HydrophobicContact CD1-CD2 3.57Å; I445-F561 HydrophobicContact CG1-CZ 4.49Å; I445-F561 HydrophobicContact CG2-CZ 4.13Å
446S82.3Confident86.9Confident55 Ų5547.3 Ų47.339%0.38525%0.251SS..Hα-helixtrans-69.4-26.4-179.9-58.40000114.4K420 V442 E443 M444K420-S446 WeakPolarHBondContact CE-O 3.28Å; K420-S446 PolarHBondContact NZ-O 2.99Å; K420-S446 VanDerWaalsContact NZ-O 3.09Å; V442-S446 PolarHBondContact O-N 3.42Å; V442-S446 PolarHBondContact O-OG 3.42Å; E443-S446 WeakPolarHBondContact O-CB 3.47Å; E443-S446 PolarHBondContact O-N 3.11Å; M444-S446 PolarHBondContact O-N 3.5Å
447R78Confident87Confident177 Ų17744.4 Ų44.467%0.66823%0.226SC*.Hα-helixtrans-78.6-24.6-172.1-74.1175.9-176.5-148.72.2115.3E443 M444 I445 P449E443-R447 WeakPolarHBondContact O-CG 3.35Å; E443-R447 PolarHBondContact O-N 3.17Å; E443-R447 IonicContact OE1-CZ 3.2Å; E443-R447 IonicContact OE1-NE 2.72Å; E443-R447 IonicContact OE1-NH2 3.44Å; E443-R447 PolarHBondContact OE1-NH2 3.45Å; M444-R447 PolarHBondContact O-N 3.29Å; I445-R447 PolarHBondContact O-N 2.91Å; R447-P449 WeakPolarHBondContact O-CD 3.42Å
448R71.2Confident87.2Confident64 Ų6444.3 Ų44.324%0.24223%0.228CC..  trans-107.3111.7-164.9-165.5176.7-168.3-1799.4113.2T416 L450 W451T416-R448 PolarHBondContact OG1-O 3.43Å; R448-L450 VanDerWaalsContact CG-O 3.23Å; R448-L450 WeakPolarHBondContact CG-O 3.44Å; R448-L450 PolarHBondContact NE-O 3.05Å; R448-W451 VanDerWaalsContact CZ-CD1 3.46Å
449P81.3Confident87.3Confident73 Ų7342.8 Ų42.847%0.47422%0.217SC..SBendtrans-79.1-33175.229.7-33.1000112.7T416 D417 R447T416-P449 PolarHBondContact N-O 3.1Å; T416-P449 VanDerWaalsContact N-O 3.14Å; T416-P449 PolarHBondContact OG1-O 3.37Å; D417-P449 HydrophobicContact CB-CB 4.4Å; D417-P449 PolarHBondContact N-O 2.97Å; R447-P449 WeakPolarHBondContact O-CD 3.42Å
450L90.1Very high87.6Confident35 Ų3536.7 Ų36.718%0.18319%0.185CC..  trans-138.6144.1-174.3-59.2176.3000112.4F163 K167 F413 V414 H415 T416 R448F163-L450 HydrophobicContact CE1-CD2 3.8Å; F163-L450 HydrophobicContact CZ-CD1 4.16Å; F163-L450 HydrophobicContact CZ-CD2 3.51Å; F163-L450 HydrophobicContact CZ-CG 4.49Å; K167-L450 HydrophobicContact CD-CD1 3.41Å; K167-L450 VanDerWaalsContact CD-CD1 3.41Å; K167-L450 VanDerWaalsContact CE-CD1 3.42Å; F413-L450 HydrophobicContact CB-CB 4.44Å; F413-L450 HydrophobicContact CD1-CB 3.98Å; V414-L450 WeakPolarHBondContact O-CA 3.36Å; H415-L450 HydrophobicContact CB-CD2 4.39Å; T416-L450 PolarHBondContact OG1-N 3.02Å; R448-L450 VanDerWaalsContact CG-O 3.23Å; R448-L450 WeakPolarHBondContact CG-O 3.44Å; R448-L450 PolarHBondContact NE-O 3.05Å
451W91.6Very high88.1Confident5 Ų534.6 Ų34.62%0.01917%0.17CC..EExtended strand (participates in β ladder)trans-116.9111.6174.2174.811000111.5F413 V414 T416 R448 I453 D522 W524 F525 F561 T562F413-W451 CarbonylContact C-O 3.58Å; F413-W451 WeakPolarHBondContact CA-O 3.44Å; V414-W451 HydrophobicContact CB-CB 4.27Å; V414-W451 HydrophobicContact CB-CE3 4.39Å; V414-W451 HydrophobicContact CG2-CE3 4.42Å; V414-W451 PolarHBondContact N-O 3.04Å; V414-W451 PolarHBondContact O-N 2.71Å; T416-W451 HydrophobicContact CG2-CB 3.82Å; R448-W451 VanDerWaalsContact CZ-CD1 3.46Å; W451-I453 HydrophobicContact CD2-CG2 3.92Å; W451-I453 HydrophobicContact CE3-CG2 4.47Å; W451-I453 HydrophobicContact CG-CG2 4.02Å; W451-I453 HydrophobicContact CZ2-CG2 4.48Å; W451-I453 PolarHBondContact O-N 3.03Å; W451-D522 PolarHBondContact NE1-OD2 3.32Å; W451-W524 HydrophobicContact CZ2-CB 3.77Å; W451-F525 HydrophobicContact CH2-CB 4.14Å; W451-F525 HydrophobicContact CH2-CD2 4.24Å; W451-F525 HydrophobicContact CZ2-CB 3.89Å; W451-F525 HydrophobicContact CZ3-CD2 4.43Å; W451-F561 HydrophobicContact CZ3-CB 4.37Å; W451-T562 HydrophobicContact CH2-CG2 4.46Å; W451-T562 HydrophobicContact CZ3-CG2 4.33Å
452C93.4Very high88.5Confident11 Ų1134.4 Ų34.47%0.07417%0.17CC..EExtended strand (participates in β ladder)trans-68.7112.5174.1-171.10000111.3V169 W412 F413 R455V169-C452 HydrophobicContact CG1-CB 4.4Å; W412-C452 CarbonylContact O-C 3.54Å; W412-C452 WeakPolarHBondContact O-CA 3.31Å; F413-C452 HydrophobicContact CD1-CB 3.95Å; F413-C452 HydrophobicContact CE1-CB 3.64Å; F413-C452 HydrophobicContact CZ-CB 4.42Å; C452-R455 PolarHBondContact O-NH1 2.68Å; C452-R455 PolarHBondContact O-NH2 2.74Å
453I94.7Very high88.8Confident0 Ų031.8 Ų31.80%015%0.154CC..  trans-1071.2-175.359.6162000114.3F153 I162 W412 V414 W451 F521 D522 F525F153-I453 HydrophobicContact CD2-CD1 4.21Å; F153-I453 HydrophobicContact CE2-CD1 4.11Å; I162-I453 HydrophobicContact CD1-CD1 3.75Å; I162-I453 HydrophobicContact CG1-CD1 4.23Å; I162-I453 HydrophobicContact CG2-CD1 4.44Å; W412-I453 HydrophobicContact CB-CD1 4.29Å; W412-I453 HydrophobicContact CB-CG1 3.8Å; W412-I453 WeakPolarHBondContact O-CG1 3.42Å; W412-I453 PolarHBondContact O-N 3.18Å; V414-I453 HydrophobicContact CG2-CD1 4.05Å; V414-I453 HydrophobicContact CG2-CG1 4.46Å; V414-I453 HydrophobicContact CG2-CG2 3.69Å; W451-I453 HydrophobicContact CD2-CG2 3.92Å; W451-I453 HydrophobicContact CE3-CG2 4.47Å; W451-I453 HydrophobicContact CG-CG2 4.02Å; W451-I453 HydrophobicContact CZ2-CG2 4.48Å; W451-I453 PolarHBondContact O-N 3.03Å; I453-F521 HydrophobicContact CD1-CD1 4.47Å; I453-F521 HydrophobicContact CD1-CE1 4.39Å; I453-F521 CarbonylContact O-C 3.58Å; I453-F521 WeakPolarHBondContact O-CA 3.4Å; I453-D522 HydrophobicContact CB-CB 4.46Å; I453-D522 PolarHBondContact O-N 3.33Å; I453-F525 HydrophobicContact CB-CB 4.29Å; I453-F525 HydrophobicContact CB-CD2 4.28Å; I453-F525 HydrophobicContact CB-CG 4.27Å; I453-F525 HydrophobicContact CD1-CD2 4.37Å; I453-F525 HydrophobicContact CD1-CE2 4.17Å; I453-F525 HydrophobicContact CD1-CZ 4.37Å; I453-F525 HydrophobicContact CG2-CB 4Å; I453-F525 HydrophobicContact CG2-CD2 3.68Å; I453-F525 HydrophobicContact CG2-CE2 4.42Å; I453-F525 HydrophobicContact CG2-CG 4.03Å
454S95Very high89.2Confident0 Ų026.8 Ų26.80%013%0.13CC..EExtended strand (participates in β ladder)trans-101.9143.5175.9480000112.8Q411 W412 E519Q411-S454 WeakPolarHBondContact CA-OG 3.35Å; Q411-S454 WeakPolarHBondContact CB-OG 3.17Å; Q411-S454 PolarHBondContact OE1-O 2.94Å; Q411-S454 PolarHBondContact OE1-OG 3.46Å; W412-S454 PolarHBondContact N-OG 3.22Å; S454-E519 WeakPolarHBondContact CB-OE1 3.31Å
455R93.3Very high90Very high4 Ų425.3 Ų25.32%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-136.7133.3177-60.3-66.3178.6-86.9-3.1109.9A178 C452 R457 E519 V520 D522A178-R455 WeakPolarHBondContact O-CD 3.24Å; A178-R455 PolarHBondContact O-NE 3.49Å; C452-R455 PolarHBondContact O-NH1 2.68Å; C452-R455 PolarHBondContact O-NH2 2.74Å; R455-R457 PolarHBondContact O-N 3.04Å; R455-E519 CarbonylContact O-C 3.49Å; R455-E519 VanDerWaalsContact O-CA 3.29Å; R455-E519 WeakPolarHBondContact O-CA 3.46Å; R455-V520 HydrophobicContact CB-CG2 4.07Å; R455-V520 PolarHBondContact N-O 2.81Å; R455-V520 PolarHBondContact O-N 2.77Å; R455-D522 HydrophobicContact CG-CB 4.45Å; R455-D522 IonicContact CZ-OD1 3.97Å; R455-D522 VanDerWaalsContact CZ-OD1 3.28Å; R455-D522 IonicContact NE-OD1 3.18Å; R455-D522 PolarHBondContact NE-OD1 3.12Å; R455-D522 IonicContact NH2-OD1 3.48Å; R455-D522 PolarHBondContact NH2-OD1 3.01Å; R455-D522 IonicContact NH2-OD2 2.8Å; R455-D522 PolarHBondContact NH2-OD2 3.25Å
456Q91.6Very high90.5Very high41 Ų4125.2 Ų25.219%0.19212%0.123CC..SBendtrans-82.380.3179.2-69.367.441.100110.3W171 T177 Q411 E519W171-Q456 HydrophobicContact CH2-CG 4.28Å; T177-Q456 PolarHBondContact OG1-N 3.34Å; Q411-Q456 VanDerWaalsContact NE2-NE2 3.11Å; Q456-E519 PolarHBondContact NE2-OE1 2.92Å
457R89Confident91.1Very high25 Ų2522.8 Ų22.89%0.09411%0.105CC..  trans-149.6168.1-176.8-59.1-172.6-171.2162.54.7110.9E88 R455 V520E88-R457 WeakPolarHBondContact OE2-CD 3.49Å; R455-R457 PolarHBondContact O-N 3.04Å; R457-V520 HydrophobicContact CB-CG2 3.9Å; R457-V520 WeakPolarHBondContact O-CG1 3.37Å
458V89.8Confident91.9Very high25 Ų2515.8 Ų15.815%0.1528%0.083CC..SBendtrans-103.6-25.9179.3-59.90000113.4P103 I106 R107 W497P103-V458 HydrophobicContact CB-CB 4.18Å; P103-V458 HydrophobicContact CB-CG1 3.91Å; P103-V458 HydrophobicContact CG-CG1 4.13Å; I106-V458 HydrophobicContact CB-CG2 3.79Å; I106-V458 HydrophobicContact CD1-CG2 3.69Å; I106-V458 HydrophobicContact CG1-CG2 4.35Å; I106-V458 HydrophobicContact CG2-CG2 3.56Å; R107-V458 WeakPolarHBondContact CD-O 3.48Å; R107-V458 WeakPolarHBondContact CG-O 3.25Å; R107-V458 PolarHBondContact NH1-O 3.31Å; V458-W497 HydrophobicContact CB-CH2 4.44Å; V458-W497 HydrophobicContact CB-CZ2 4.43Å; V458-W497 HydrophobicContact CG1-CH2 4.19Å; V458-W497 HydrophobicContact CG1-CZ3 4.14Å
459W92.1Very high92.9Very high8 Ų817.3 Ų17.33%0.0310%0.095CC..SBendtrans-91.8114.1177.4-177.6-115.8000110.9C82 H83 E88 R107 A110 R111C82-W459 PolarHBondContact O-NE1 3.37Å; H83-W459 AromaticContact CD2-CE2 3.86Å; E88-W459 HydrophobicContact CB-CB 4.04Å; E88-W459 HydrophobicContact CB-CG 4.3Å; E88-W459 HydrophobicContact CG-CB 3.97Å; R107-W459 HydrophobicContact CB-CE3 4.07Å; R107-W459 HydrophobicContact CB-CZ3 4.31Å; R107-W459 HydrophobicContact CG-CE3 4.1Å; R107-W459 VanDerWaalsContact O-CZ3 3.27Å; R107-W459 WeakPolarHBondContact O-CZ3 3.18Å; A110-W459 HydrophobicContact CB-CB 4.48Å; A110-W459 HydrophobicContact CB-CD2 3.36Å; A110-W459 HydrophobicContact CB-CE3 3.64Å; A110-W459 HydrophobicContact CB-CG 3.75Å; A110-W459 HydrophobicContact CB-CH2 4.27Å; A110-W459 HydrophobicContact CB-CZ2 4.03Å; A110-W459 HydrophobicContact CB-CZ3 4.08Å; R111-W459 HydrophobicContact CB-CH2 3.7Å; R111-W459 HydrophobicContact CB-CZ3 4.01Å; R111-W459 HydrophobicContact CG-CH2 4.45Å
460G93.8Very high93.3Very high1 Ų121.4 Ų21.41%0.0111%0.113CC..SBendtrans149.6172.6-171.300000111.8H83 R107H83-G460 VanDerWaalsContact CD2-CA 3.49Å; H83-G460 WeakPolarHBondContact CD2-CA 3.39Å; R107-G460 PolarHBondContact NH1-O 3.17Å
461T95.1Very high93.3Very high2 Ų222.7 Ų22.71%0.01213%0.125CC..  trans-72.6122165.7-54.40000108.9H83 K146 E149 L150 W493 V520 F521H83-T461 PolarHBondContact CE1-OG1 3.38Å; K146-T461 HydrophobicContact CB-CG2 4.15Å; K146-T461 HydrophobicContact CG-CG2 4.31Å; K146-T461 WeakPolarHBondContact CG-OG1 2.98Å; E149-T461 WeakPolarHBondContact OE2-CB 3.31Å; E149-T461 WeakPolarHBondContact OE2-CG2 3.34Å; E149-T461 PolarHBondContact OE2-OG1 3.1Å; L150-T461 HydrophobicContact CD1-CG2 3.43Å; L150-T461 VanDerWaalsContact CD1-CG2 3.43Å; T461-W493 HydrophobicContact CG2-CZ3 4.23Å; T461-V520 CarbonylContact O-C 3.54Å; T461-V520 WeakPolarHBondContact O-CA 3.31Å; T461-V520 VanDerWaalsContact O-CB 3.29Å; T461-V520 WeakPolarHBondContact O-CB 3.36Å; T461-F521 HydrophobicContact CG2-CD2 3.89Å; T461-F521 HydrophobicContact CG2-CE2 4.17Å; T461-F521 PolarHBondContact O-N 3.17Å
462P95.1Very high93.3Very high3 Ų324.2 Ų24.22%0.01913%0.134CC..BIsolated β-bridgetrans-66.5144.4179.928-33.9000111.1P464 W496P462-P464 VanDerWaalsContact O-CD 3.3Å; P462-P464 WeakPolarHBondContact O-CD 3.3Å; P462-W496 HydrophobicContact CB-CB 4.43Å; P462-W496 HydrophobicContact CB-CD2 4.21Å; P462-W496 HydrophobicContact CB-CG 3.76Å; P462-W496 HydrophobicContact CG-CB 4.1Å; P462-W496 HydrophobicContact CG-CD2 4.47Å; P462-W496 HydrophobicContact CG-CG 3.9Å
463I95.9Very high93.3Very high0 Ų028.4 Ų28.40%015%0.152CC..  trans-71.8114.7168.6-60.6-170.4000107.6F153 W412 V465 W496 S517 E519 F521F153-I463 HydrophobicContact CE1-CG2 4.45Å; F153-I463 HydrophobicContact CE2-CG2 4.42Å; F153-I463 HydrophobicContact CZ-CG2 4.01Å; W412-I463 HydrophobicContact CB-CD1 4.48Å; W412-I463 HydrophobicContact CG-CD1 4.26Å; I463-V465 HydrophobicContact CG2-CB 4.32Å; I463-V465 HydrophobicContact CG2-CG2 3.89Å; I463-V465 PolarHBondContact O-N 2.88Å; I463-W496 WeakPolarHBondContact O-CZ2 3.33Å; I463-S517 WeakPolarHBondContact O-CB 3.23Å; I463-E519 HydrophobicContact CD1-CB 4.02Å; I463-E519 HydrophobicContact CG1-CB 4.32Å; I463-E519 PolarHBondContact N-O 3.14Å; I463-F521 HydrophobicContact CB-CE1 4.4Å; I463-F521 HydrophobicContact CB-CZ 4.43Å; I463-F521 HydrophobicContact CD1-CD1 4.07Å; I463-F521 HydrophobicContact CD1-CE1 4.1Å; I463-F521 HydrophobicContact CG1-CD1 3.74Å; I463-F521 HydrophobicContact CG1-CE1 3.67Å; I463-F521 HydrophobicContact CG1-CG 4.19Å; I463-F521 HydrophobicContact CG1-CZ 4.08Å; I463-F521 HydrophobicContact CG2-CE1 4.4Å; I463-F521 HydrophobicContact CG2-CZ 4.47Å
464P95.3Very high93.3Very high1 Ų130 Ų301%0.00616%0.162CC..  trans-78.351.5-168.738.1-45.9000112.9L150 F153 P462 I481 V484L150-P464 HydrophobicContact CD2-CB 3.93Å; L150-P464 HydrophobicContact CD2-CG 4.28Å; L150-P464 HydrophobicContact CG-CB 4.1Å; L150-P464 HydrophobicContact CG-CG 3.89Å; F153-P464 HydrophobicContact CD1-CG 4.1Å; F153-P464 HydrophobicContact CE1-CG 4.41Å; P462-P464 VanDerWaalsContact O-CD 3.3Å; P462-P464 WeakPolarHBondContact O-CD 3.3Å; P464-I481 HydrophobicContact CB-CG1 4.13Å; P464-I481 HydrophobicContact CG-CD1 4.31Å; P464-I481 HydrophobicContact CG-CG1 3.64Å; P464-I481 HydrophobicContact CG-CG2 4.39Å; P464-V484 HydrophobicContact CB-CB 4.33Å; P464-V484 HydrophobicContact CB-CG1 3.87Å
465V96.2Very high93.2Very high0 Ų031.6 Ų31.60%017%0.169CC..  trans-118.8136.4-175.9177.20000110.9F153 W412 I463 Y467 P474 V477 S517F153-V465 HydrophobicContact CE1-CG2 3.94Å; F153-V465 HydrophobicContact CZ-CG2 4.19Å; W412-V465 HydrophobicContact CH2-CG2 4.09Å; W412-V465 HydrophobicContact CZ2-CB 4.19Å; W412-V465 HydrophobicContact CZ2-CG1 3.98Å; W412-V465 HydrophobicContact CZ2-CG2 3.72Å; I463-V465 HydrophobicContact CG2-CB 4.32Å; I463-V465 HydrophobicContact CG2-CG2 3.89Å; I463-V465 PolarHBondContact O-N 2.88Å; V465-Y467 HydrophobicContact CG1-CD1 4.04Å; V465-Y467 HydrophobicContact CG1-CE1 3.66Å; V465-P474 HydrophobicContact CG1-CB 3.91Å; V465-V477 HydrophobicContact CG1-CG2 4.39Å; V465-V477 HydrophobicContact CG2-CG1 4.22Å; V465-S517 WeakPolarHBondContact O-CB 3.26Å; V465-S517 PolarHBondContact O-N 2.9Å
466L96.2Very high93Very high0 Ų032.7 Ų32.70%018%0.179CC..EExtended strand (participates in β ladder)trans-100.3139167.6-62.5176.4000109.1F475 V480 W496 A501 F504 L505 V514 K515 K516L466-F475 PolarHBondContact O-N 3.12Å; L466-V480 HydrophobicContact CB-CG1 4.3Å; L466-V480 HydrophobicContact CD1-CG1 3.86Å; L466-V480 HydrophobicContact CD1-CG2 4.13Å; L466-V480 HydrophobicContact CG-CG1 3.75Å; L466-W496 HydrophobicContact CD2-CH2 4.09Å; L466-W496 HydrophobicContact CD2-CZ3 4.49Å; L466-A501 HydrophobicContact CD2-CB 4.25Å; L466-F504 HydrophobicContact CD1-CB 4.17Å; L466-F504 HydrophobicContact CD2-CB 4.43Å; L466-L505 HydrophobicContact CD1-CD2 3.6Å; L466-L505 HydrophobicContact CD1-CG 3.81Å; L466-V514 HydrophobicContact CB-CB 4.22Å; L466-V514 HydrophobicContact CB-CG2 4.46Å; L466-V514 HydrophobicContact CD1-CG2 4.16Å; L466-K515 CarbonylContact C-O 3.52Å; L466-K515 WeakPolarHBondContact CA-O 3.25Å; L466-K516 HydrophobicContact CD2-CB 4.38Å; L466-K516 HydrophobicContact CD2-CG 3.81Å
467Y95.3Very high92.9Very high4 Ų430.9 Ų30.92%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-109.9138.5178.3-57.8-65.8000110.2R164 W412 V465 L469 E473 P474 V514 K515 E519R164-Y467 VanDerWaalsContact CZ-CZ 3.49Å; R164-Y467 PolarHBondContact NE-OH 3.35Å; R164-Y467 VanDerWaalsContact NH1-CD1 3.26Å; W412-Y467 HydrophobicContact CZ2-CE1 4.34Å; W412-Y467 PolarHBondContact NE1-OH 3.31Å; V465-Y467 HydrophobicContact CG1-CD1 4.04Å; V465-Y467 HydrophobicContact CG1-CE1 3.66Å; Y467-L469 PolarHBondContact O-N 3.16Å; Y467-E473 WeakPolarHBondContact CA-O 3.43Å; Y467-P474 HydrophobicContact CD1-CG 4.35Å; Y467-P474 HydrophobicContact CE1-CG 4.12Å; Y467-V514 CarbonylContact O-C 3.58Å; Y467-V514 VanDerWaalsContact O-CA 3.23Å; Y467-V514 WeakPolarHBondContact O-CA 3.35Å; Y467-K515 PolarHBondContact N-O 2.58Å; Y467-K515 PolarHBondContact O-N 2.96Å; Y467-E519 PolarHBondContact OH-OE2 2.95Å
468C94.2Very high93.2Very high30 Ų3030.5 Ų30.520%0.20317%0.172CC..EExtended strand (participates in β ladder)trans-60.3132.5170.2-67.80000109.9D470 S471 D472 E473C468-D470 VanDerWaalsContact C-N 3.28Å; C468-D470 PolarHBondContact O-N 3.48Å; C468-S471 WeakPolarHBondContact CB-OG 3.35Å; C468-D472 VanDerWaalsContact O-CA 3.32Å; C468-D472 WeakPolarHBondContact O-CA 3.49Å; C468-D472 PolarHBondContact O-N 3.42Å; C468-E473 PolarHBondContact N-O 3.2Å
469L91.5Very high93.3Very high96 Ų9632.9 Ų32.950%0.50318%0.182SC..THydrogen-bonded Turntrans-61.5-35.7-178.1-92.5161.4000112.9Y467 P513 K515Y467-L469 PolarHBondContact O-N 3.16Å; L469-P513 HydrophobicContact CB-CB 4.29Å; L469-P513 HydrophobicContact CD1-CB 3.7Å; L469-P513 PolarHBondContact N-O 2.94Å; L469-P513 VanDerWaalsContact N-O 3.14Å; L469-K515 HydrophobicContact CD2-CB 4.35Å
470D90Very high93.4Very high158 Ų15832.5 Ų32.585%0.84518%0.18SC*.THydrogen-bonded Turntrans-83.2-42.7-175-59.7-38.3000113.7C468C468-D470 VanDerWaalsContact C-N 3.28Å; C468-D470 PolarHBondContact O-N 3.48Å
471S90.1Very high93.5Very high63 Ų6332.5 Ų32.544%0.44118%0.18SC..THydrogen-bonded Turntrans-97.7-16.3-174.864.40000114.1C468 E473C468-S471 WeakPolarHBondContact CB-OG 3.35Å; S471-E473 PolarHBondContact O-N 3.09Å; S471-E473 PolarHBondContact OG-N 3.42Å
472D91.2Very high93.4Very high37 Ų3736.1 Ų36.120%0.19820%0.2CC..  trans58.517.7-170.2-173.463.7000113.5R164 K410 C468 K515R164-D472 PolarHBondContact NH1-O 3.46Å; R164-D472 IonicContact NH1-OD2 2.7Å; R164-D472 IonicContact NH2-OD2 2.74Å; K410-D472 VanDerWaalsContact CD-OD2 3.22Å; K410-D472 WeakPolarHBondContact CD-OD2 3Å; K410-D472 WeakPolarHBondContact CE-OD2 3.48Å; K410-D472 IonicContact NZ-OD2 2.73Å; K410-D472 PolarHBondContact NZ-OD2 3.42Å; C468-D472 VanDerWaalsContact O-CA 3.32Å; C468-D472 WeakPolarHBondContact O-CA 3.49Å; C468-D472 PolarHBondContact O-N 3.42Å; D472-K515 WeakPolarHBondContact OD1-CE 3.43Å; D472-K515 IonicContact OD1-NZ 3.44Å; D472-K515 PolarHBondContact OD1-NZ 3.43Å
473E93.9Very high93.4Very high99 Ų9938 Ų3846%0.46321%0.208SC..PPolyproline II helixtrans-88148.7176.9-67.2-54.4130.300112.1K410 Y467 C468 S471 F475K410-E473 IonicContact NZ-OE1 2.94Å; K410-E473 PolarHBondContact NZ-OE1 3.47Å; Y467-E473 WeakPolarHBondContact CA-O 3.43Å; C468-E473 PolarHBondContact N-O 3.2Å; S471-E473 PolarHBondContact O-N 3.09Å; S471-E473 PolarHBondContact OG-N 3.42Å; E473-F475 PolarHBondContact O-N 2.91Å
474P94.2Very high93.3Very high32 Ų3238.1 Ų38.121%0.20821%0.209CC..EExtended strand (participates in β ladder)trans-57.3132.3175.2-22.332.7000112.3R164 W412 V465 Y467 V477R164-P474 HydrophobicContact CB-CG 4.4Å; W412-P474 HydrophobicContact CH2-CB 4.23Å; W412-P474 HydrophobicContact CH2-CG 3.94Å; W412-P474 HydrophobicContact CZ2-CB 4.35Å; W412-P474 HydrophobicContact CZ2-CG 3.94Å; V465-P474 HydrophobicContact CG1-CB 3.91Å; Y467-P474 HydrophobicContact CD1-CG 4.35Å; Y467-P474 HydrophobicContact CE1-CG 4.12Å; P474-V477 HydrophobicContact CB-CG2 3.53Å
475F92.6Very high93.2Very high34 Ų3438.9 Ų38.915%0.14921%0.212CC..EExtended strand (participates in β ladder)trans-103.9124.7-179.1-177.5-100.1000111.6L466 E473 V477 V480 L505 F509 I512 V514L466-F475 PolarHBondContact O-N 3.12Å; E473-F475 PolarHBondContact O-N 2.91Å; F475-V477 VanDerWaalsContact C-N 3.25Å; F475-V477 PolarHBondContact O-N 2.95Å; F475-V480 HydrophobicContact CD1-CG2 4.31Å; F475-V480 WeakPolarHBondContact O-CG2 3.49Å; F475-L505 HydrophobicContact CD1-CD2 3.95Å; F475-L505 HydrophobicContact CE1-CD2 3.86Å; F475-F509 HydrophobicContact CE1-CB 3.89Å; F475-F509 HydrophobicContact CE1-CD1 4.17Å; F475-F509 AromaticContact CE1-CD2 3.66Å; F475-F509 HydrophobicContact CE1-CD2 3.66Å; F475-F509 HydrophobicContact CE1-CE2 4.13Å; F475-F509 AromaticContact CE1-CG 3.66Å; F475-F509 HydrophobicContact CE1-CG 3.66Å; F475-F509 HydrophobicContact CZ-CB 4.15Å; F475-F509 AromaticContact CZ-CD1 3.8Å; F475-F509 HydrophobicContact CZ-CD1 3.8Å; F475-F509 HydrophobicContact CZ-CD2 4.13Å; F475-F509 HydrophobicContact CZ-CE1 4.17Å; F475-F509 HydrophobicContact CZ-CE2 4.44Å; F475-F509 AromaticContact CZ-CG 3.78Å; F475-F509 HydrophobicContact CZ-CG 3.78Å; F475-F509 HydrophobicContact CZ-CZ 4.46Å; F475-I512 HydrophobicContact CE1-CD1 4.2Å; F475-I512 HydrophobicContact CE2-CD1 3.9Å; F475-I512 HydrophobicContact CE2-CG2 4.21Å; F475-I512 HydrophobicContact CZ-CD1 3.38Å; F475-I512 HydrophobicContact CZ-CG2 4.3Å; F475-V514 HydrophobicContact CD1-CG1 4.39Å; F475-V514 HydrophobicContact CG-CG1 4.42Å
476A89.7Confident93.1Very high27 Ų2743.8 Ų43.822%0.22324%0.235CC..SBendtrans38.150.9171.500000114.2S478 E479 V480 F509A476-S478 PolarHBondContact O-N 3.22Å; A476-E479 PolarHBondContact O-N 3.02Å; A476-V480 HydrophobicContact CB-CG2 4.36Å; A476-V480 WeakPolarHBondContact O-CB 3.37Å; A476-V480 WeakPolarHBondContact O-CG2 3.27Å; A476-V480 PolarHBondContact O-N 3.44Å; A476-F509 HydrophobicContact CB-CD2 4.28Å; A476-F509 HydrophobicContact CB-CE2 3.5Å; A476-F509 VanDerWaalsContact CB-CE2 3.5Å; A476-F509 HydrophobicContact CB-CZ 3.82Å
477V90.6Very high92.9Very high3 Ų344.9 Ų44.92%0.01824%0.24CC..Hα-helixtrans-51.1-49.9-164.2173.20000112.5F153 Y157 V465 P474 F475 E479 V480 I481F153-V477 HydrophobicContact CE1-CG1 4.29Å; Y157-V477 HydrophobicContact CD1-CB 3.96Å; Y157-V477 HydrophobicContact CD1-CG1 3.68Å; Y157-V477 HydrophobicContact CD2-CG1 4.14Å; Y157-V477 HydrophobicContact CE1-CB 3.52Å; Y157-V477 HydrophobicContact CE1-CG1 3.78Å; Y157-V477 HydrophobicContact CE1-CG2 4.1Å; Y157-V477 HydrophobicContact CE2-CB 4.25Å; Y157-V477 HydrophobicContact CE2-CG1 4.19Å; Y157-V477 HydrophobicContact CE2-CG2 4.07Å; Y157-V477 HydrophobicContact CG-CG1 3.87Å; V465-V477 HydrophobicContact CG1-CG2 4.39Å; V465-V477 HydrophobicContact CG2-CG1 4.22Å; P474-V477 HydrophobicContact CB-CG2 3.53Å; F475-V477 VanDerWaalsContact C-N 3.25Å; F475-V477 PolarHBondContact O-N 2.95Å; V477-E479 PolarHBondContact O-N 3.25Å; V477-V480 PolarHBondContact O-N 3.28Å; V477-I481 HydrophobicContact CG1-CD1 3.59Å; V477-I481 HydrophobicContact CG1-CG1 4.36Å; V477-I481 WeakPolarHBondContact O-CD1 3.46Å; V477-I481 WeakPolarHBondContact O-CG1 3.06Å; V477-I481 PolarHBondContact O-N 3.47Å
478S93.5Very high92.8Very high18 Ų1844.8 Ų44.813%0.12624%0.24CC..Hα-helixtrans-60.1-47.5-178-69.80000113.3E158 A476 I481 D482E158-S478 VanDerWaalsContact CG-OG 3.23Å; E158-S478 WeakPolarHBondContact CG-OG 3.37Å; E158-S478 WeakPolarHBondContact OE1-CB 3.06Å; E158-S478 PolarHBondContact OE1-OG 3.35Å; A476-S478 PolarHBondContact O-N 3.22Å; S478-I481 PolarHBondContact O-N 3.29Å; S478-D482 PolarHBondContact O-N 2.89Å
479E93.6Very high92.6Very high75 Ų7548.9 Ų48.935%0.3526%0.256SS..Hα-helixtrans-75.5-30.8-178.1-56.8107.9114.300112.8A476 V477 I481 H483 P506 K508 F509A476-E479 PolarHBondContact O-N 3.02Å; V477-E479 PolarHBondContact O-N 3.25Å; E479-I481 VanDerWaalsContact C-N 3.35Å; E479-H483 PolarHBondContact O-N 3.29Å; E479-P506 HydrophobicContact CB-CG 4.33Å; E479-P506 WeakPolarHBondContact O-CG 3.35Å; E479-K508 IonicContact OE1-NZ 2.73Å; E479-K508 PolarHBondContact OE1-NZ 3.46Å; E479-F509 HydrophobicContact CB-CE2 4.3Å
480V94Very high92.7Very high0 Ų048.4 Ų48.40%026%0.26CS..Hα-helixtrans-63.7-43.3171169.10000109.9L466 F475 A476 V477 D482 H483 V484L466-V480 HydrophobicContact CB-CG1 4.3Å; L466-V480 HydrophobicContact CD1-CG1 3.86Å; L466-V480 HydrophobicContact CD1-CG2 4.13Å; L466-V480 HydrophobicContact CG-CG1 3.75Å; F475-V480 HydrophobicContact CD1-CG2 4.31Å; F475-V480 WeakPolarHBondContact O-CG2 3.49Å; A476-V480 HydrophobicContact CB-CG2 4.36Å; A476-V480 WeakPolarHBondContact O-CB 3.37Å; A476-V480 WeakPolarHBondContact O-CG2 3.27Å; A476-V480 PolarHBondContact O-N 3.44Å; V477-V480 PolarHBondContact O-N 3.28Å; V480-D482 PolarHBondContact O-N 3.01Å; V480-H483 PolarHBondContact O-N 2.86Å; V480-V484 HydrophobicContact CG1-CG2 3.93Å; V480-V484 VanDerWaalsContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CB 3.42Å; V480-V484 WeakPolarHBondContact O-CG2 3.29Å; V480-V484 PolarHBondContact O-N 3.31Å
481I94.8Very high92.8Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-60.5-47.5178.6-67.6162.1000111.4L150 F153 K154 P464 V477 S478 E479 H483 V484 M485L150-I481 HydrophobicContact CB-CG2 4.38Å; F153-I481 HydrophobicContact CD1-CD1 3.64Å; F153-I481 HydrophobicContact CE1-CD1 3.91Å; K154-I481 HydrophobicContact CB-CB 4.5Å; K154-I481 HydrophobicContact CB-CD1 3.77Å; K154-I481 HydrophobicContact CB-CG2 4.07Å; K154-I481 HydrophobicContact CD-CG2 4.39Å; K154-I481 HydrophobicContact CG-CD1 4.12Å; P464-I481 HydrophobicContact CB-CG1 4.13Å; P464-I481 HydrophobicContact CG-CD1 4.31Å; P464-I481 HydrophobicContact CG-CG1 3.64Å; P464-I481 HydrophobicContact CG-CG2 4.39Å; V477-I481 HydrophobicContact CG1-CD1 3.59Å; V477-I481 HydrophobicContact CG1-CG1 4.36Å; V477-I481 WeakPolarHBondContact O-CD1 3.46Å; V477-I481 WeakPolarHBondContact O-CG1 3.06Å; V477-I481 PolarHBondContact O-N 3.47Å; S478-I481 PolarHBondContact O-N 3.29Å; E479-I481 VanDerWaalsContact C-N 3.35Å; I481-H483 VanDerWaalsContact C-N 3.3Å; I481-H483 PolarHBondContact O-N 2.97Å; I481-V484 PolarHBondContact O-N 3.34Å; I481-M485 HydrophobicContact CG2-CG 4.31Å; I481-M485 HydrophobicContact CG2-SD 3.97Å; I481-M485 VanDerWaalsContact O-CG 3.3Å; I481-M485 WeakPolarHBondContact O-CG 3.46Å; I481-M485 PolarHBondContact O-N 3.47Å
482D94.1Very high92.8Very high79 Ų7945 Ų4542%0.42224%0.235SC..Hα-helixtrans-58.8-43.7179.7-71-26.7000111.6K154 S478 V480 H486K154-D482 IonicContact NZ-OD1 3.22Å; K154-D482 PolarHBondContact NZ-OD1 2.93Å; K154-D482 IonicContact NZ-OD2 3.46Å; K154-D482 PolarHBondContact NZ-OD2 2.8Å; S478-D482 PolarHBondContact O-N 2.89Å; V480-D482 PolarHBondContact O-N 3.01Å; D482-H486 PolarHBondContact O-N 3.35Å
483H94.5Very high92.8Very high43 Ų4344 Ų4420%0.19923%0.229CC..Hα-helixtrans-71-41.1178.4-172.875.6000112.3E479 V480 I481 M485 H486 E487 E503 F504 P506E479-H483 PolarHBondContact O-N 3.29Å; V480-H483 PolarHBondContact O-N 2.86Å; I481-H483 VanDerWaalsContact C-N 3.3Å; I481-H483 PolarHBondContact O-N 2.97Å; H483-M485 VanDerWaalsContact C-N 3.33Å; H483-M485 PolarHBondContact O-N 3.42Å; H483-H486 WeakPolarHBondContact O-CB 3.36Å; H483-H486 PolarHBondContact O-N 3.19Å; H483-E487 IonicContact CE1-OE1 2.79Å; H483-E487 PolarHBondContact CE1-OE1 2.93Å; H483-E487 WeakPolarHBondContact NE2-CG 3.39Å; H483-E487 IonicContact NE2-OE1 2.89Å; H483-E487 WeakPolarHBondContact O-CG 3.48Å; H483-E487 PolarHBondContact O-N 2.96Å; H483-E503 PolarHBondContact NE2-O 2.98Å; H483-F504 VanDerWaalsContact CD2-C 3.44Å; H483-F504 PolarHBondContact CD2-O 3.41Å; H483-F504 VanDerWaalsContact CD2-O 3.31Å; H483-P506 HydrophobicContact CB-CB 4.47Å; H483-P506 HydrophobicContact CB-CG 3.79Å
484V94.3Very high92.8Very high2 Ų241.7 Ų41.71%0.01222%0.22CC..Hα-helixtrans-58.7-45.3174.5167.30000110.7L150 P464 V480 I481 H486 E487 M488 W496 F504L150-V484 HydrophobicContact CD2-CG1 4.28Å; P464-V484 HydrophobicContact CB-CB 4.33Å; P464-V484 HydrophobicContact CB-CG1 3.87Å; V480-V484 HydrophobicContact CG1-CG2 3.93Å; V480-V484 VanDerWaalsContact O-CB 3.31Å; V480-V484 WeakPolarHBondContact O-CB 3.42Å; V480-V484 WeakPolarHBondContact O-CG2 3.29Å; V480-V484 PolarHBondContact O-N 3.31Å; I481-V484 PolarHBondContact O-N 3.34Å; V484-H486 VanDerWaalsContact C-N 3.33Å; V484-H486 PolarHBondContact O-N 3.2Å; V484-E487 PolarHBondContact O-N 3.29Å; V484-M488 HydrophobicContact CG1-CE 3.91Å; V484-M488 HydrophobicContact CG1-CG 4.07Å; V484-M488 WeakPolarHBondContact O-CB 3.44Å; V484-M488 VanDerWaalsContact O-CG 3.24Å; V484-M488 WeakPolarHBondContact O-CG 3.23Å; V484-M488 PolarHBondContact O-N 3.08Å; V484-W496 HydrophobicContact CG1-CE3 4.23Å; V484-W496 HydrophobicContact CG1-CZ3 4.15Å; V484-W496 HydrophobicContact CG2-CE3 4.48Å; V484-W496 HydrophobicContact CG2-CZ3 3.74Å; V484-F504 HydrophobicContact CG2-CB 3.88Å; V484-F504 HydrophobicContact CG2-CD1 4Å; V484-F504 HydrophobicContact CG2-CG 4.2Å
485M93Very high92.7Very high17 Ų1740.4 Ų40.48%0.08421%0.212CC..Hα-helixtrans-58.3-46.8176.8-73.9174.851.900111.6L150 R151 I481 H483 E487 M488 E489L150-M485 HydrophobicContact CB-CG 3.89Å; L150-M485 HydrophobicContact CB-SD 3.97Å; L150-M485 HydrophobicContact CD2-CG 3.67Å; L150-M485 HydrophobicContact CG-CG 4.43Å; R151-M485 HydrophobicContact CG-CE 3.45Å; R151-M485 VanDerWaalsContact CG-CE 3.45Å; R151-M485 HydrophobicContact CG-SD 3.79Å; R151-M485 VanDerWaalsContact NH1-CE 3.27Å; I481-M485 HydrophobicContact CG2-CG 4.31Å; I481-M485 HydrophobicContact CG2-SD 3.97Å; I481-M485 VanDerWaalsContact O-CG 3.3Å; I481-M485 WeakPolarHBondContact O-CG 3.46Å; I481-M485 PolarHBondContact O-N 3.47Å; H483-M485 VanDerWaalsContact C-N 3.33Å; H483-M485 PolarHBondContact O-N 3.42Å; M485-E487 PolarHBondContact O-N 3.11Å; M485-M488 PolarHBondContact O-N 3.23Å; M485-E489 WeakPolarHBondContact O-CG 3.29Å; M485-E489 PolarHBondContact O-N 2.79Å
486H93Very high92.9Very high103 Ų10338.9 Ų38.948%0.47721%0.205SC..Hα-helixtrans-57.9-47.9176.2-179.166.8000112D482 H483 V484 E489 C490D482-H486 PolarHBondContact O-N 3.35Å; H483-H486 WeakPolarHBondContact O-CB 3.36Å; H483-H486 PolarHBondContact O-N 3.19Å; V484-H486 VanDerWaalsContact C-N 3.33Å; V484-H486 PolarHBondContact O-N 3.2Å; H486-E489 PolarHBondContact O-N 3.33Å; H486-C490 PolarHBondContact O-N 3.28Å; H486-C490 VanDerWaalsContact O-N 3.08Å; H486-C490 PolarHBondContact O-SG 3.35Å; H486-C490 VanDerWaalsContact O-SG 3.34Å
487E93.7Very high93Very high23 Ų2339.6 Ų39.611%0.10720%0.202CC..Hα-helixtrans-66-38.2179-67.1-61.1142.400112.7H483 V484 M485 C490 R491 F504H483-E487 IonicContact CE1-OE1 2.79Å; H483-E487 PolarHBondContact CE1-OE1 2.93Å; H483-E487 WeakPolarHBondContact NE2-CG 3.39Å; H483-E487 IonicContact NE2-OE1 2.89Å; H483-E487 WeakPolarHBondContact O-CG 3.48Å; H483-E487 PolarHBondContact O-N 2.96Å; V484-E487 PolarHBondContact O-N 3.29Å; M485-E487 PolarHBondContact O-N 3.11Å; E487-C490 PolarHBondContact O-N 3.23Å; E487-R491 WeakPolarHBondContact O-CB 3.38Å; E487-R491 PolarHBondContact O-N 3.19Å; E487-R491 IonicContact OE2-CZ 3.43Å; E487-R491 IonicContact OE2-NE 3.31Å; E487-R491 PolarHBondContact OE2-NE 3.38Å; E487-R491 IonicContact OE2-NH2 2.9Å; E487-R491 PolarHBondContact OE2-NH2 3.03Å; E487-F504 HydrophobicContact CB-CD1 4.04Å; E487-F504 HydrophobicContact CB-CE1 3.91Å; E487-F504 HydrophobicContact CG-CD1 4.39Å
488M92.7Very high93.1Very high2 Ų243.3 Ų43.31%0.0123%0.225CC..Hα-helixtrans-67.3-35.6176.7-68.8-55.2148.400112.5V484 M485 G492 W493 A495 W496 F504V484-M488 HydrophobicContact CG1-CE 3.91Å; V484-M488 HydrophobicContact CG1-CG 4.07Å; V484-M488 WeakPolarHBondContact O-CB 3.44Å; V484-M488 VanDerWaalsContact O-CG 3.24Å; V484-M488 WeakPolarHBondContact O-CG 3.23Å; V484-M488 PolarHBondContact O-N 3.08Å; M485-M488 PolarHBondContact O-N 3.23Å; M488-G492 CarbonylContact O-C 3.51Å; M488-G492 VanDerWaalsContact O-C 3.28Å; M488-G492 WeakPolarHBondContact O-CA 3.35Å; M488-G492 PolarHBondContact O-N 2.95Å; M488-W493 HydrophobicContact CB-CD2 4.17Å; M488-W493 HydrophobicContact CB-CE3 4.36Å; M488-W493 HydrophobicContact CB-CZ2 4.47Å; M488-W493 HydrophobicContact CG-CD2 4.46Å; M488-W493 HydrophobicContact CG-CE3 4.21Å; M488-W493 HydrophobicContact CG-CZ3 4.4Å; M488-A495 HydrophobicContact SD-CB 4.22Å; M488-W496 HydrophobicContact CE-CB 3.47Å; M488-W496 VanDerWaalsContact CE-CB 3.47Å; M488-W496 HydrophobicContact CE-CD2 4.23Å; M488-W496 HydrophobicContact CE-CE3 3.66Å; M488-W496 HydrophobicContact CE-CG 4.22Å; M488-W496 HydrophobicContact SD-CB 4.18Å; M488-F504 HydrophobicContact CE-CD1 3.98Å; M488-F504 HydrophobicContact CE-CE1 3.19Å; M488-F504 HydrophobicContact CE-CZ 3.52Å
489E90.3Very high93.1Very high115 Ų11545.7 Ų45.754%0.53723%0.234SC..Hα-helixtrans-69.6-37.5175.9-73.8175.6176.300111.4M485 H486M485-E489 WeakPolarHBondContact O-CG 3.29Å; M485-E489 PolarHBondContact O-N 2.79Å; H486-E489 PolarHBondContact O-N 3.33Å
490C92Very high93Very high87 Ų8748.1 Ų48.159%0.58825%0.249SC*.Hα-helixtrans-75.6-44.1178.2-710000113.7H486 E487H486-C490 PolarHBondContact O-N 3.28Å; H486-C490 VanDerWaalsContact O-N 3.08Å; H486-C490 PolarHBondContact O-SG 3.35Å; H486-C490 VanDerWaalsContact O-SG 3.34Å; E487-C490 PolarHBondContact O-N 3.23Å
491R92Very high93Very high118 Ų11848.9 Ų48.945%0.44526%0.255SS..Hα-helixtrans-105.5-9.8-170.1-54.4-171.8-165.2-155.511114E487 A495 E503E487-R491 WeakPolarHBondContact O-CB 3.38Å; E487-R491 PolarHBondContact O-N 3.19Å; E487-R491 IonicContact OE2-CZ 3.43Å; E487-R491 IonicContact OE2-NE 3.31Å; E487-R491 PolarHBondContact OE2-NE 3.38Å; E487-R491 IonicContact OE2-NH2 2.9Å; E487-R491 PolarHBondContact OE2-NH2 3.03Å; R491-A495 HydrophobicContact CB-CB 3.87Å; R491-E503 IonicContact CZ-OE2 3.45Å; R491-E503 VanDerWaalsContact CZ-OE2 3.31Å; R491-E503 IonicContact NH1-OE2 3.66Å; R491-E503 PolarHBondContact NH1-OE2 3.33Å; R491-E503 IonicContact NH2-OE2 2.71Å; R491-E503 PolarHBondContact NH2-OE2 3.49Å
492G92.1Very high92.8Very high31 Ų3152 Ų5232%0.3228%0.282SS..  trans89.1159.1-172.500000113.1M488 D494 A495M488-G492 CarbonylContact O-C 3.51Å; M488-G492 VanDerWaalsContact O-C 3.28Å; M488-G492 WeakPolarHBondContact O-CA 3.35Å; M488-G492 PolarHBondContact O-N 2.95Å; G492-D494 VanDerWaalsContact C-N 3.28Å; G492-D494 PolarHBondContact O-N 3.43Å; G492-A495 WeakPolarHBondContact O-CB 3.2Å; G492-A495 PolarHBondContact O-N 2.91Å; G492-A495 VanDerWaalsContact O-N 3.12Å
493W90.5Very high92.7Very high16 Ų1652.2 Ų52.26%0.06128%0.28CS..THydrogen-bonded Turntrans-72.4-15-169.4-75.183.4000115.9S143 K146 L150 T461 M488 A495S143-W493 WeakPolarHBondContact O-CZ2 3.29Å; S143-W493 PolarHBondContact OG-NE1 3.29Å; K146-W493 HydrophobicContact CB-CD2 4.14Å; K146-W493 HydrophobicContact CB-CE3 3.96Å; K146-W493 HydrophobicContact CB-CH2 3.23Å; K146-W493 HydrophobicContact CB-CZ2 3.42Å; K146-W493 VanDerWaalsContact CB-CZ2 3.42Å; K146-W493 HydrophobicContact CB-CZ3 3.52Å; K146-W493 HydrophobicContact CD-CD2 3.89Å; K146-W493 HydrophobicContact CD-CE3 3.87Å; K146-W493 HydrophobicContact CD-CG 4.32Å; K146-W493 HydrophobicContact CD-CZ3 4.26Å; K146-W493 VanDerWaalsContact CE-CE2 3.44Å; K146-W493 HydrophobicContact CG-CZ3 4.47Å; K146-W493 VanDerWaalsContact NZ-CD1 3.33Å; L150-W493 HydrophobicContact CD1-CH2 4Å; L150-W493 HydrophobicContact CD1-CZ3 3.88Å; L150-W493 HydrophobicContact CD2-CH2 3.93Å; L150-W493 HydrophobicContact CD2-CZ3 4Å; T461-W493 HydrophobicContact CG2-CZ3 4.23Å; M488-W493 HydrophobicContact CB-CD2 4.17Å; M488-W493 HydrophobicContact CB-CE3 4.36Å; M488-W493 HydrophobicContact CB-CZ2 4.47Å; M488-W493 HydrophobicContact CG-CD2 4.46Å; M488-W493 HydrophobicContact CG-CE3 4.21Å; M488-W493 HydrophobicContact CG-CZ3 4.4Å; W493-A495 VanDerWaalsContact C-N 3.26Å
494D92.9Very high92.7Very high51 Ų5150.2 Ų50.227%0.27327%0.27SS..THydrogen-bonded Turntrans-82.7-10175.4-68.8-22.4000112I104 R107 G492 W496 W497 T498I104-D494 HydrophobicContact CD1-CB 3.83Å; R107-D494 IonicContact CZ-OD1 2.73Å; R107-D494 VanDerWaalsContact CZ-OD1 3.25Å; R107-D494 IonicContact NE-OD1 3.58Å; R107-D494 PolarHBondContact NE-OD1 3.34Å; R107-D494 IonicContact NH2-OD1 2.86Å; R107-D494 PolarHBondContact NH2-OD1 2.88Å; G492-D494 VanDerWaalsContact C-N 3.28Å; G492-D494 PolarHBondContact O-N 3.43Å; D494-W496 PolarHBondContact O-N 2.66Å; D494-W496 VanDerWaalsContact O-N 3.14Å; D494-W497 PolarHBondContact O-N 2.8Å; D494-T498 PolarHBondContact O-N 3.05Å; D494-T498 PolarHBondContact O-OG1 2.82Å
495A93.7Very high92.7Very high5 Ų550.7 Ų50.74%0.04127%0.273CS..Hα-helixtrans-54.8-33.2174.200000112M488 R491 G492 W493 W497 T498 Q499 F504M488-A495 HydrophobicContact SD-CB 4.22Å; R491-A495 HydrophobicContact CB-CB 3.87Å; G492-A495 WeakPolarHBondContact O-CB 3.2Å; G492-A495 PolarHBondContact O-N 2.91Å; G492-A495 VanDerWaalsContact O-N 3.12Å; W493-A495 VanDerWaalsContact C-N 3.26Å; A495-W497 PolarHBondContact O-N 2.8Å; A495-W497 VanDerWaalsContact O-N 3.13Å; A495-T498 WeakPolarHBondContact CA-OG1 3.37Å; A495-T498 PolarHBondContact O-N 2.91Å; A495-Q499 HydrophobicContact CB-CG 4.08Å; A495-Q499 WeakPolarHBondContact O-CB 3.29Å; A495-Q499 WeakPolarHBondContact O-CG 3.48Å; A495-Q499 PolarHBondContact O-N 3Å; A495-F504 HydrophobicContact CB-CZ 4.26Å; A495-F504 WeakPolarHBondContact O-CZ 3.28Å
496W94.9Very high92.6Very high1 Ų150.5 Ų50.50%0.00427%0.273CS..Hα-helixtrans-54.8-32.4176.3-172.7-104.8000112.5P462 I463 L466 V484 M488 D494 F504 K516 S517P462-W496 HydrophobicContact CB-CB 4.43Å; P462-W496 HydrophobicContact CB-CD2 4.21Å; P462-W496 HydrophobicContact CB-CG 3.76Å; P462-W496 HydrophobicContact CG-CB 4.1Å; P462-W496 HydrophobicContact CG-CD2 4.47Å; P462-W496 HydrophobicContact CG-CG 3.9Å; I463-W496 WeakPolarHBondContact O-CZ2 3.33Å; L466-W496 HydrophobicContact CD2-CH2 4.09Å; L466-W496 HydrophobicContact CD2-CZ3 4.49Å; V484-W496 HydrophobicContact CG1-CE3 4.23Å; V484-W496 HydrophobicContact CG1-CZ3 4.15Å; V484-W496 HydrophobicContact CG2-CE3 4.48Å; V484-W496 HydrophobicContact CG2-CZ3 3.74Å; M488-W496 HydrophobicContact CE-CB 3.47Å; M488-W496 VanDerWaalsContact CE-CB 3.47Å; M488-W496 HydrophobicContact CE-CD2 4.23Å; M488-W496 HydrophobicContact CE-CE3 3.66Å; M488-W496 HydrophobicContact CE-CG 4.22Å; M488-W496 HydrophobicContact SD-CB 4.18Å; D494-W496 PolarHBondContact O-N 2.66Å; D494-W496 VanDerWaalsContact O-N 3.14Å; W496-F504 HydrophobicContact CE3-CD1 4.29Å; W496-F504 AromaticContact CE3-CD2 3.97Å; W496-F504 HydrophobicContact CE3-CD2 3.97Å; W496-F504 HydrophobicContact CE3-CE1 4.37Å; W496-F504 HydrophobicContact CE3-CE2 4.02Å; W496-F504 HydrophobicContact CE3-CG 4.1Å; W496-F504 HydrophobicContact CE3-CZ 4.24Å; W496-F504 HydrophobicContact CZ3-CB 4.3Å; W496-F504 HydrophobicContact CZ3-CD1 4.41Å; W496-F504 HydrophobicContact CZ3-CD2 4.06Å; W496-F504 AromaticContact CZ3-CG 3.97Å; W496-F504 HydrophobicContact CZ3-CG 3.97Å; W496-K516 HydrophobicContact CD2-CD 4.32Å; W496-K516 HydrophobicContact CE3-CD 4.43Å; W496-K516 HydrophobicContact CH2-CB 4.26Å; W496-K516 HydrophobicContact CH2-CG 4.22Å; W496-K516 HydrophobicContact CZ2-CB 3.8Å; W496-K516 HydrophobicContact CZ2-CG 4.18Å; W496-K516 HydrophobicContact CZ3-CG 4.48Å; W496-K516 VanDerWaalsContact O-CD 3.27Å; W496-K516 WeakPolarHBondContact O-CD 3.44Å; W496-K516 WeakPolarHBondContact O-CE 3.35Å; W496-K516 PolarHBondContact O-NZ 3.36Å; W496-S517 PolarHBondContact NE1-O 2.68Å
497W93Very high92.5Very high42 Ų4253.1 Ų53.116%0.15929%0.285CS..Hα-helixtrans-94.4-31.6-177.2-59.4100000112.3P103 I104 R107 V458 D494 A495 V520P103-W497 HydrophobicContact CB-CB 4.2Å; P103-W497 HydrophobicContact CB-CD2 4.22Å; P103-W497 HydrophobicContact CB-CE3 4.12Å; P103-W497 HydrophobicContact CB-CG 4.27Å; P103-W497 HydrophobicContact CG-CE3 4.37Å; I104-W497 HydrophobicContact CD1-CB 3.94Å; R107-W497 VanDerWaalsContact CD-CD1 3.41Å; V458-W497 HydrophobicContact CB-CH2 4.44Å; V458-W497 HydrophobicContact CB-CZ2 4.43Å; V458-W497 HydrophobicContact CG1-CH2 4.19Å; V458-W497 HydrophobicContact CG1-CZ3 4.14Å; D494-W497 PolarHBondContact O-N 2.8Å; A495-W497 PolarHBondContact O-N 2.8Å; A495-W497 VanDerWaalsContact O-N 3.13Å; W497-V520 HydrophobicContact CZ2-CG1 4.09Å
498T92.2Very high92.4Very high82 Ų8258.1 Ų58.150%0.50331%0.306SS..Hα-helixtrans-90.2-27.8-175.955.70000115.2I104 D494 A495I104-T498 HydrophobicContact CD1-CG2 3.62Å; I104-T498 HydrophobicContact CG1-CG2 3.54Å; D494-T498 PolarHBondContact O-N 3.05Å; D494-T498 PolarHBondContact O-OG1 2.82Å; A495-T498 WeakPolarHBondContact CA-OG1 3.37Å; A495-T498 PolarHBondContact O-N 2.91Å
499Q92.8Very high92.3Very high67 Ų6759.9 Ų59.931%0.31331%0.314SS..SBendtrans-95.1154.7-174.2-59.5-61-39.200111.8A495 E503 F504 K516A495-Q499 HydrophobicContact CB-CG 4.08Å; A495-Q499 WeakPolarHBondContact O-CB 3.29Å; A495-Q499 WeakPolarHBondContact O-CG 3.48Å; A495-Q499 PolarHBondContact O-N 3Å; Q499-E503 HydrophobicContact CB-CB 4.33Å; Q499-E503 HydrophobicContact CB-CG 4.32Å; Q499-F504 HydrophobicContact CB-CE2 3.92Å; Q499-F504 HydrophobicContact CB-CZ 4.02Å; Q499-K516 PolarHBondContact O-NZ 3.1Å
500D93Very high92Very high127 Ų12761 Ų6168%0.67932%0.317SS*.  trans-68.4154.4176.9-74-39.4000112.5A502 E503D500-A502 PolarHBondContact O-N 3.48Å; D500-A502 VanDerWaalsContact O-N 3.13Å; D500-E503 WeakPolarHBondContact O-CB 3.26Å; D500-E503 PolarHBondContact O-N 3.32Å; D500-E503 VanDerWaalsContact O-N 3.09Å
501A93Very high91.7Very high15 Ų1563.8 Ų63.812%0.12433%0.326CS..G310 helixtrans-57.3-30.5179.600000112.9L466 E503 F504 V514 K516L466-A501 HydrophobicContact CD2-CB 4.25Å; A501-E503 VanDerWaalsContact C-N 3.29Å; A501-E503 PolarHBondContact O-N 2.85Å; A501-F504 PolarHBondContact O-N 3.14Å; A501-V514 HydrophobicContact CB-CG2 3.97Å; A501-K516 HydrophobicContact CB-CG 3.77Å
502A91.5Very high91.5Very high67 Ų6761 Ų6155%0.55432%0.32SS*.G310 helixtrans-66.1-27.1179.500000113.7D500 F504 L505D500-A502 PolarHBondContact O-N 3.48Å; D500-A502 VanDerWaalsContact O-N 3.13Å; A502-F504 PolarHBondContact O-N 3.02Å; A502-L505 PolarHBondContact O-N 3.14Å
503E92.2Very high91.5Very high82 Ų8263 Ų6338%0.38333%0.327SS..G310 helixtrans-68.2-24.2177.4-66.4-69.6128.100112H483 R491 Q499 D500 A501H483-E503 PolarHBondContact NE2-O 2.98Å; R491-E503 IonicContact CZ-OE2 3.45Å; R491-E503 VanDerWaalsContact CZ-OE2 3.31Å; R491-E503 IonicContact NH1-OE2 3.66Å; R491-E503 PolarHBondContact NH1-OE2 3.33Å; R491-E503 IonicContact NH2-OE2 2.71Å; R491-E503 PolarHBondContact NH2-OE2 3.49Å; Q499-E503 HydrophobicContact CB-CB 4.33Å; Q499-E503 HydrophobicContact CB-CG 4.32Å; D500-E503 WeakPolarHBondContact O-CB 3.26Å; D500-E503 PolarHBondContact O-N 3.32Å; D500-E503 VanDerWaalsContact O-N 3.09Å; A501-E503 VanDerWaalsContact C-N 3.29Å; A501-E503 PolarHBondContact O-N 2.85Å
504F93.7Very high91.8Very high1 Ų162.9 Ų62.90%0.00433%0.328CS..G310 helixtrans-93.63.6178.9-61.3-64.1000113.4L466 H483 V484 E487 M488 A495 W496 Q499 A501 A502 K516L466-F504 HydrophobicContact CD1-CB 4.17Å; L466-F504 HydrophobicContact CD2-CB 4.43Å; H483-F504 VanDerWaalsContact CD2-C 3.44Å; H483-F504 PolarHBondContact CD2-O 3.41Å; H483-F504 VanDerWaalsContact CD2-O 3.31Å; V484-F504 HydrophobicContact CG2-CB 3.88Å; V484-F504 HydrophobicContact CG2-CD1 4Å; V484-F504 HydrophobicContact CG2-CG 4.2Å; E487-F504 HydrophobicContact CB-CD1 4.04Å; E487-F504 HydrophobicContact CB-CE1 3.91Å; E487-F504 HydrophobicContact CG-CD1 4.39Å; M488-F504 HydrophobicContact CE-CD1 3.98Å; M488-F504 HydrophobicContact CE-CE1 3.19Å; M488-F504 HydrophobicContact CE-CZ 3.52Å; A495-F504 HydrophobicContact CB-CZ 4.26Å; A495-F504 WeakPolarHBondContact O-CZ 3.28Å; W496-F504 HydrophobicContact CE3-CD1 4.29Å; W496-F504 AromaticContact CE3-CD2 3.97Å; W496-F504 HydrophobicContact CE3-CD2 3.97Å; W496-F504 HydrophobicContact CE3-CE1 4.37Å; W496-F504 HydrophobicContact CE3-CE2 4.02Å; W496-F504 HydrophobicContact CE3-CG 4.1Å; W496-F504 HydrophobicContact CE3-CZ 4.24Å; W496-F504 HydrophobicContact CZ3-CB 4.3Å; W496-F504 HydrophobicContact CZ3-CD1 4.41Å; W496-F504 HydrophobicContact CZ3-CD2 4.06Å; W496-F504 AromaticContact CZ3-CG 3.97Å; W496-F504 HydrophobicContact CZ3-CG 3.97Å; Q499-F504 HydrophobicContact CB-CE2 3.92Å; Q499-F504 HydrophobicContact CB-CZ 4.02Å; A501-F504 PolarHBondContact O-N 3.14Å; A502-F504 PolarHBondContact O-N 3.02Å; F504-K516 HydrophobicContact CD2-CD 3.96Å; F504-K516 HydrophobicContact CD2-CG 4.47Å; F504-K516 HydrophobicContact CE2-CD 3.99Å
505L93.4Very high91.9Very high12 Ų1264.4 Ų64.46%0.06333%0.332CS..SBendtrans-85.3128.6172-78.1172000110.4L466 F475 A502 F509 I512 V514L466-L505 HydrophobicContact CD1-CD2 3.6Å; L466-L505 HydrophobicContact CD1-CG 3.81Å; F475-L505 HydrophobicContact CD1-CD2 3.95Å; F475-L505 HydrophobicContact CE1-CD2 3.86Å; A502-L505 PolarHBondContact O-N 3.14Å; L505-F509 HydrophobicContact CD2-CB 4.11Å; L505-I512 HydrophobicContact CD1-CB 4.47Å; L505-I512 WeakPolarHBondContact CD1-O 3.47Å; L505-V514 HydrophobicContact CD1-CG1 4.43Å; L505-V514 HydrophobicContact CD1-CG2 3.63Å; L505-V514 HydrophobicContact CD2-CG1 4.25Å; L505-V514 HydrophobicContact CD2-CG2 4.19Å; L505-V514 HydrophobicContact CG-CG2 3.92Å
506P92.2Very high91.9Very high13 Ų1366.7 Ų66.78%0.08434%0.341CS..  trans-51.3144.1165.4-23.629.4000111.2E479 H483 K508 F509E479-P506 HydrophobicContact CB-CG 4.33Å; E479-P506 WeakPolarHBondContact O-CG 3.35Å; H483-P506 HydrophobicContact CB-CB 4.47Å; H483-P506 HydrophobicContact CB-CG 3.79Å; P506-K508 HydrophobicContact CB-CG 4.01Å; P506-K508 PolarHBondContact O-N 3.4Å; P506-F509 HydrophobicContact CB-CD2 4.07Å; P506-F509 HydrophobicContact CG-CD2 3.93Å; P506-F509 HydrophobicContact CG-CE2 4.34Å; P506-F509 PolarHBondContact O-N 3.01Å
507H89.8Confident91.8Very high158 Ų15866.8 Ų66.873%0.73134%0.342SS*.G310 helixtrans-53-31-176.3-173.3-87.8000114F509 K510H507-F509 PolarHBondContact O-N 2.84Å; H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.15Å
508K91.6Very high91.7Very high128 Ų12869.7 Ų69.756%0.55736%0.361SS*.G310 helixtrans-62.9-18.2175.759.6168.4176163.70114.7E479 P506E479-K508 IonicContact OE1-NZ 2.73Å; E479-K508 PolarHBondContact OE1-NZ 3.46Å; P506-K508 HydrophobicContact CB-CG 4.01Å; P506-K508 PolarHBondContact O-N 3.4Å
509F90.8Very high91.8Very high40 Ų4066 Ų6618%0.17534%0.338CS..G310 helixtrans-113.918.3-176.6-60.8-43.2000112.7F475 A476 E479 L505 P506 H507 N511 I512F475-F509 HydrophobicContact CE1-CB 3.89Å; F475-F509 HydrophobicContact CE1-CD1 4.17Å; F475-F509 AromaticContact CE1-CD2 3.66Å; F475-F509 HydrophobicContact CE1-CD2 3.66Å; F475-F509 HydrophobicContact CE1-CE2 4.13Å; F475-F509 AromaticContact CE1-CG 3.66Å; F475-F509 HydrophobicContact CE1-CG 3.66Å; F475-F509 HydrophobicContact CZ-CB 4.15Å; F475-F509 AromaticContact CZ-CD1 3.8Å; F475-F509 HydrophobicContact CZ-CD1 3.8Å; F475-F509 HydrophobicContact CZ-CD2 4.13Å; F475-F509 HydrophobicContact CZ-CE1 4.17Å; F475-F509 HydrophobicContact CZ-CE2 4.44Å; F475-F509 AromaticContact CZ-CG 3.78Å; F475-F509 HydrophobicContact CZ-CG 3.78Å; F475-F509 HydrophobicContact CZ-CZ 4.46Å; A476-F509 HydrophobicContact CB-CD2 4.28Å; A476-F509 HydrophobicContact CB-CE2 3.5Å; A476-F509 VanDerWaalsContact CB-CE2 3.5Å; A476-F509 HydrophobicContact CB-CZ 3.82Å; E479-F509 HydrophobicContact CB-CE2 4.3Å; L505-F509 HydrophobicContact CD2-CB 4.11Å; P506-F509 HydrophobicContact CB-CD2 4.07Å; P506-F509 HydrophobicContact CG-CD2 3.93Å; P506-F509 HydrophobicContact CG-CE2 4.34Å; P506-F509 PolarHBondContact O-N 3.01Å; H507-F509 PolarHBondContact O-N 2.84Å; F509-N511 PolarHBondContact O-N 3.43Å; F509-I512 HydrophobicContact CB-CD1 3.93Å; F509-I512 HydrophobicContact CD1-CD1 4.12Å; F509-I512 HydrophobicContact CG-CD1 4.38Å; F509-I512 WeakPolarHBondContact O-CG1 3.5Å; F509-I512 PolarHBondContact O-N 2.73Å
510K84.2Confident91.9Very high137 Ų13763 Ų6360%0.59632%0.324SS*.THydrogen-bonded Turntrans-53.9139.5-178.6-165.4174.3-174.8174.60111.2H507 I512H507-K510 WeakPolarHBondContact O-CB 3.42Å; H507-K510 PolarHBondContact O-N 3.15Å; K510-I512 VanDerWaalsContact C-N 3.31Å; K510-I512 PolarHBondContact O-N 3.23Å
511N85.6Confident92.1Very high147 Ų14757.2 Ų57.279%0.78629%0.293SS*.THydrogen-bonded Turntrans71.27179.9-46.6-41.8000116.6F509F509-N511 PolarHBondContact O-N 3.43Å
512I88.8Confident92.1Very high59 Ų5956.5 Ų56.530%0.30329%0.287SS..  trans-72.8126.5171.4-63.5179.2000109F475 L505 F509 K510 V514F475-I512 HydrophobicContact CE1-CD1 4.2Å; F475-I512 HydrophobicContact CE2-CD1 3.9Å; F475-I512 HydrophobicContact CE2-CG2 4.21Å; F475-I512 HydrophobicContact CZ-CD1 3.38Å; F475-I512 HydrophobicContact CZ-CG2 4.3Å; L505-I512 HydrophobicContact CD1-CB 4.47Å; L505-I512 WeakPolarHBondContact CD1-O 3.47Å; F509-I512 HydrophobicContact CB-CD1 3.93Å; F509-I512 HydrophobicContact CD1-CD1 4.12Å; F509-I512 HydrophobicContact CG-CD1 4.38Å; F509-I512 WeakPolarHBondContact O-CG1 3.5Å; F509-I512 PolarHBondContact O-N 2.73Å; K510-I512 VanDerWaalsContact C-N 3.31Å; K510-I512 PolarHBondContact O-N 3.23Å; I512-V514 HydrophobicContact CG2-CG1 3.95Å; I512-V514 PolarHBondContact O-N 2.91Å; I512-V514 VanDerWaalsContact O-N 3.12Å
513P92.4Very high92.1Very high72 Ų7253.7 Ų53.747%0.46826%0.262SS..  trans-70.2108.8179.928.4-34.1000110.5L469L469-P513 HydrophobicContact CB-CB 4.29Å; L469-P513 HydrophobicContact CD1-CB 3.7Å; L469-P513 PolarHBondContact N-O 2.94Å; L469-P513 VanDerWaalsContact N-O 3.14Å
514V94.9Very high92.1Very high15 Ų1551 Ų519%0.09125%0.249CC..EExtended strand (participates in β ladder)trans-131.1158-178.8-63.40000111.7L466 Y467 F475 A501 L505 I512L466-V514 HydrophobicContact CB-CB 4.22Å; L466-V514 HydrophobicContact CB-CG2 4.46Å; L466-V514 HydrophobicContact CD1-CG2 4.16Å; Y467-V514 CarbonylContact O-C 3.58Å; Y467-V514 VanDerWaalsContact O-CA 3.23Å; Y467-V514 WeakPolarHBondContact O-CA 3.35Å; F475-V514 HydrophobicContact CD1-CG1 4.39Å; F475-V514 HydrophobicContact CG-CG1 4.42Å; A501-V514 HydrophobicContact CB-CG2 3.97Å; L505-V514 HydrophobicContact CD1-CG1 4.43Å; L505-V514 HydrophobicContact CD1-CG2 3.63Å; L505-V514 HydrophobicContact CD2-CG1 4.25Å; L505-V514 HydrophobicContact CD2-CG2 4.19Å; L505-V514 HydrophobicContact CG-CG2 3.92Å; I512-V514 HydrophobicContact CG2-CG1 3.95Å; I512-V514 PolarHBondContact O-N 2.91Å; I512-V514 VanDerWaalsContact O-N 3.12Å
515K95.2Very high92.2Very high83 Ų8351 Ų5136%0.36125%0.249SC..EExtended strand (participates in β ladder)trans-121.6150.2168.264.9177.9-178.31770110.4L466 Y467 L469 D472L466-K515 CarbonylContact C-O 3.52Å; L466-K515 WeakPolarHBondContact CA-O 3.25Å; Y467-K515 PolarHBondContact N-O 2.58Å; Y467-K515 PolarHBondContact O-N 2.96Å; L469-K515 HydrophobicContact CD2-CB 4.35Å; D472-K515 WeakPolarHBondContact OD1-CE 3.43Å; D472-K515 IonicContact OD1-NZ 3.44Å; D472-K515 PolarHBondContact OD1-NZ 3.43Å
516K94.7Very high92.2Very high53 Ų5350.4 Ų50.423%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-74.2152.1174.6-66177.1-60.1-176.70111L466 W496 Q499 A501 F504L466-K516 HydrophobicContact CD2-CB 4.38Å; L466-K516 HydrophobicContact CD2-CG 3.81Å; W496-K516 HydrophobicContact CD2-CD 4.32Å; W496-K516 HydrophobicContact CE3-CD 4.43Å; W496-K516 HydrophobicContact CH2-CB 4.26Å; W496-K516 HydrophobicContact CH2-CG 4.22Å; W496-K516 HydrophobicContact CZ2-CB 3.8Å; W496-K516 HydrophobicContact CZ2-CG 4.18Å; W496-K516 HydrophobicContact CZ3-CG 4.48Å; W496-K516 VanDerWaalsContact O-CD 3.27Å; W496-K516 WeakPolarHBondContact O-CD 3.44Å; W496-K516 WeakPolarHBondContact O-CE 3.35Å; W496-K516 PolarHBondContact O-NZ 3.36Å; Q499-K516 PolarHBondContact O-NZ 3.1Å; A501-K516 HydrophobicContact CB-CG 3.77Å; F504-K516 HydrophobicContact CD2-CD 3.96Å; F504-K516 HydrophobicContact CD2-CG 4.47Å; F504-K516 HydrophobicContact CE2-CD 3.99Å
517S93.7Very high92.3Very high2 Ų249.9 Ų49.91%0.01424%0.243CC..  trans-62.5134.1159.6-171.80000111.3I463 V465 W496 E519I463-S517 WeakPolarHBondContact O-CB 3.23Å; V465-S517 WeakPolarHBondContact O-CB 3.26Å; V465-S517 PolarHBondContact O-N 2.9Å; W496-S517 PolarHBondContact NE1-O 2.68Å; S517-E519 VanDerWaalsContact C-N 3.31Å; S517-E519 WeakPolarHBondContact OG-CB 3.42Å; S517-E519 PolarHBondContact OG-N 3.43Å; S517-E519 PolarHBondContact OG-OE2 3.39Å
518D90.8Very high92.5Very high104 Ų10442.4 Ų42.456%0.55621%0.208SC*.  trans-96.915.4169.862.6-18.6000111.9
519E94.1Very high92.7Very high4 Ų436.3 Ų36.32%0.01918%0.182CC..  trans-105.3145.6-176.3-49.4174.8104.400111.2S454 R455 Q456 I463 Y467 S517S454-E519 WeakPolarHBondContact CB-OE1 3.31Å; R455-E519 CarbonylContact O-C 3.49Å; R455-E519 VanDerWaalsContact O-CA 3.29Å; R455-E519 WeakPolarHBondContact O-CA 3.46Å; Q456-E519 PolarHBondContact NE2-OE1 2.92Å; I463-E519 HydrophobicContact CD1-CB 4.02Å; I463-E519 HydrophobicContact CG1-CB 4.32Å; I463-E519 PolarHBondContact N-O 3.14Å; Y467-E519 PolarHBondContact OH-OE2 2.95Å; S517-E519 VanDerWaalsContact C-N 3.31Å; S517-E519 WeakPolarHBondContact OG-CB 3.42Å; S517-E519 PolarHBondContact OG-N 3.43Å; S517-E519 PolarHBondContact OG-OE2 3.39Å
520V95.1Very high92.9Very high3 Ų334.4 Ų34.42%0.01817%0.173CC..EExtended strand (participates in β ladder)trans-111.9161.5168.6-63.90000110.3R455 R457 T461 W497R455-V520 HydrophobicContact CB-CG2 4.07Å; R455-V520 PolarHBondContact N-O 2.81Å; R455-V520 PolarHBondContact O-N 2.77Å; R457-V520 HydrophobicContact CB-CG2 3.9Å; R457-V520 WeakPolarHBondContact O-CG1 3.37Å; T461-V520 CarbonylContact O-C 3.54Å; T461-V520 WeakPolarHBondContact O-CA 3.31Å; T461-V520 VanDerWaalsContact O-CB 3.29Å; T461-V520 WeakPolarHBondContact O-CB 3.36Å; W497-V520 HydrophobicContact CZ2-CG1 4.09Å
521F95.7Very high93.3Very high7 Ų728.3 Ų28.33%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-64.4148.4173.5-70.5-59.4000112.3E149 L150 F153 I453 T461 I463 F525E149-F521 HydrophobicContact CG-CD2 3.87Å; E149-F521 HydrophobicContact CG-CE2 4.08Å; E149-F521 VanDerWaalsContact OE1-CB 3.25Å; E149-F521 WeakPolarHBondContact OE1-CB 3.35Å; E149-F521 WeakPolarHBondContact OE1-CD2 3.33Å; E149-F521 WeakPolarHBondContact OE1-CG 3.45Å; L150-F521 HydrophobicContact CD1-CE2 4.21Å; F153-F521 HydrophobicContact CB-CE1 4.29Å; F153-F521 HydrophobicContact CB-CZ 3.75Å; F153-F521 HydrophobicContact CD1-CZ 4.23Å; F153-F521 AromaticContact CD2-CE1 3.32Å; F153-F521 HydrophobicContact CD2-CE1 3.32Å; F153-F521 AromaticContact CD2-CZ 3.53Å; F153-F521 HydrophobicContact CD2-CZ 3.53Å; F153-F521 AromaticContact CE2-CE1 3.73Å; F153-F521 HydrophobicContact CE2-CE1 3.73Å; F153-F521 HydrophobicContact CE2-CZ 4.14Å; F153-F521 AromaticContact CG-CE1 3.89Å; F153-F521 HydrophobicContact CG-CE1 3.89Å; F153-F521 AromaticContact CG-CZ 3.57Å; F153-F521 HydrophobicContact CG-CZ 3.57Å; I453-F521 HydrophobicContact CD1-CD1 4.47Å; I453-F521 HydrophobicContact CD1-CE1 4.39Å; I453-F521 CarbonylContact O-C 3.58Å; I453-F521 WeakPolarHBondContact O-CA 3.4Å; T461-F521 HydrophobicContact CG2-CD2 3.89Å; T461-F521 HydrophobicContact CG2-CE2 4.17Å; T461-F521 PolarHBondContact O-N 3.17Å; I463-F521 HydrophobicContact CB-CE1 4.4Å; I463-F521 HydrophobicContact CB-CZ 4.43Å; I463-F521 HydrophobicContact CD1-CD1 4.07Å; I463-F521 HydrophobicContact CD1-CE1 4.1Å; I463-F521 HydrophobicContact CG1-CD1 3.74Å; I463-F521 HydrophobicContact CG1-CE1 3.67Å; I463-F521 HydrophobicContact CG1-CG 4.19Å; I463-F521 HydrophobicContact CG1-CZ 4.08Å; I463-F521 HydrophobicContact CG2-CE1 4.4Å; I463-F521 HydrophobicContact CG2-CZ 4.47Å; F521-F525 HydrophobicContact CB-CD1 4.03Å; F521-F525 AromaticContact CD1-CD1 3.75Å; F521-F525 HydrophobicContact CD1-CD1 3.75Å; F521-F525 AromaticContact CD1-CE1 3.8Å; F521-F525 HydrophobicContact CD1-CE1 3.8Å; F521-F525 HydrophobicContact CE1-CD1 4.4Å; F521-F525 AromaticContact CE1-CE1 3.99Å; F521-F525 HydrophobicContact CE1-CE1 3.99Å; F521-F525 AromaticContact CG-CD1 3.88Å; F521-F525 HydrophobicContact CG-CD1 3.88Å; F521-F525 HydrophobicContact CG-CE1 4.12Å; F521-F525 HydrophobicContact CZ-CE1 4.44Å
522D93.3Very high93.7Very high0 Ų022.9 Ų22.90%012%0.119CC..  trans-59.1137.1169.1176.636.9000110.6W451 I453 R455 W524 F525 D526W451-D522 PolarHBondContact NE1-OD2 3.32Å; I453-D522 HydrophobicContact CB-CB 4.46Å; I453-D522 PolarHBondContact O-N 3.33Å; R455-D522 HydrophobicContact CG-CB 4.45Å; R455-D522 IonicContact CZ-OD1 3.97Å; R455-D522 VanDerWaalsContact CZ-OD1 3.28Å; R455-D522 IonicContact NE-OD1 3.18Å; R455-D522 PolarHBondContact NE-OD1 3.12Å; R455-D522 IonicContact NH2-OD1 3.48Å; R455-D522 PolarHBondContact NH2-OD1 3.01Å; R455-D522 IonicContact NH2-OD2 2.8Å; R455-D522 PolarHBondContact NH2-OD2 3.25Å; D522-W524 PolarHBondContact O-N 2.84Å; D522-W524 VanDerWaalsContact O-N 3.14Å; D522-W524 WeakPolarHBondContact OD2-CB 3.43Å; D522-F525 HydrophobicContact CB-CB 4.13Å; D522-F525 WeakPolarHBondContact O-CA 3.46Å; D522-F525 WeakPolarHBondContact O-CB 3.4Å; D522-F525 PolarHBondContact O-N 2.93Å; D522-D526 PolarHBondContact O-N 3.38Å
523V92.5Very high93.7Very high7 Ų720.8 Ų20.84%0.04211%0.11CC..Hα-helixtrans-57.8-32.3-179.667.20000112.5Y44 D81 S527Y44-V523 HydrophobicContact CE1-CG2 4.07Å; D81-V523 WeakPolarHBondContact OD1-CG2 3.43Å; D81-V523 WeakPolarHBondContact OD2-CG2 3.49Å; V523-S527 WeakPolarHBondContact O-CB 3.37Å; V523-S527 PolarHBondContact O-N 2.97Å; V523-S527 PolarHBondContact O-OG 2.74Å
524W92.3Very high93.5Very high26 Ų2618 Ų1810%0.0989%0.091CC..Hα-helixtrans-75-26.7176.1-60.6106.8000112.9A182 W451 D522 G528 W555 S558A182-W524 HydrophobicContact CB-CZ2 4.15Å; W451-W524 HydrophobicContact CZ2-CB 3.77Å; D522-W524 PolarHBondContact O-N 2.84Å; D522-W524 VanDerWaalsContact O-N 3.14Å; D522-W524 WeakPolarHBondContact OD2-CB 3.43Å; W524-G528 WeakPolarHBondContact O-CA 3.45Å; W524-G528 PolarHBondContact O-N 2.99Å; W524-W555 HydrophobicContact CE3-CB 4.21Å; W524-W555 HydrophobicContact CZ3-CB 3.84Å; W524-W555 VanDerWaalsContact CZ3-N 3.33Å; W524-S558 WeakPolarHBondContact O-CB 3.41Å; W524-S558 PolarHBondContact O-OG 3.23Å; W524-S558 VanDerWaalsContact O-OG 3.11Å
525F94.5Very high93Very high0 Ų017.7 Ų17.70%09%0.089CC..Hα-helixtrans-75.2-48.2175.4179.4-95.5000109.3E149 F152 I162 V414 W451 I453 F521 D522 G528E149-F525 HydrophobicContact CG-CD1 4.4Å; E149-F525 HydrophobicContact CG-CE1 4.06Å; F152-F525 HydrophobicContact CD1-CE1 4.34Å; F152-F525 HydrophobicContact CD1-CE2 4.05Å; F152-F525 AromaticContact CD1-CZ 3.57Å; F152-F525 HydrophobicContact CD1-CZ 3.57Å; F152-F525 AromaticContact CE1-CE2 3.65Å; F152-F525 HydrophobicContact CE1-CE2 3.65Å; F152-F525 AromaticContact CE1-CZ 3.68Å; F152-F525 HydrophobicContact CE1-CZ 3.68Å; I162-F525 HydrophobicContact CD1-CE2 4.33Å; I162-F525 HydrophobicContact CD1-CZ 4.27Å; V414-F525 HydrophobicContact CG2-CD2 4.43Å; V414-F525 HydrophobicContact CG2-CE2 4.21Å; W451-F525 HydrophobicContact CH2-CB 4.14Å; W451-F525 HydrophobicContact CH2-CD2 4.24Å; W451-F525 HydrophobicContact CZ2-CB 3.89Å; W451-F525 HydrophobicContact CZ3-CD2 4.43Å; I453-F525 HydrophobicContact CB-CB 4.29Å; I453-F525 HydrophobicContact CB-CD2 4.28Å; I453-F525 HydrophobicContact CB-CG 4.27Å; I453-F525 HydrophobicContact CD1-CD2 4.37Å; I453-F525 HydrophobicContact CD1-CE2 4.17Å; I453-F525 HydrophobicContact CD1-CZ 4.37Å; I453-F525 HydrophobicContact CG2-CB 4Å; I453-F525 HydrophobicContact CG2-CD2 3.68Å; I453-F525 HydrophobicContact CG2-CE2 4.42Å; I453-F525 HydrophobicContact CG2-CG 4.03Å; F521-F525 HydrophobicContact CB-CD1 4.03Å; F521-F525 AromaticContact CD1-CD1 3.75Å; F521-F525 HydrophobicContact CD1-CD1 3.75Å; F521-F525 AromaticContact CD1-CE1 3.8Å; F521-F525 HydrophobicContact CD1-CE1 3.8Å; F521-F525 HydrophobicContact CE1-CD1 4.4Å; F521-F525 AromaticContact CE1-CE1 3.99Å; F521-F525 HydrophobicContact CE1-CE1 3.99Å; F521-F525 AromaticContact CG-CD1 3.88Å; F521-F525 HydrophobicContact CG-CD1 3.88Å; F521-F525 HydrophobicContact CG-CE1 4.12Å; F521-F525 HydrophobicContact CZ-CE1 4.44Å; D522-F525 HydrophobicContact CB-CB 4.13Å; D522-F525 WeakPolarHBondContact O-CA 3.46Å; D522-F525 WeakPolarHBondContact O-CB 3.4Å; D522-F525 PolarHBondContact O-N 2.93Å; F525-G528 PolarHBondContact O-N 2.81Å
526D94.5Very high92Very high1 Ų120.8 Ų20.81%0.00511%0.105CC..Hα-helixtrans-52.8-67.4173.4178.625.1000110.7H83 T140 Y145 E149 D522 G528 L529H83-D526 WeakPolarHBondContact CB-OD2 3.26Å; H83-D526 IonicContact CE1-OD2 3.66Å; H83-D526 IonicContact CG-OD2 2.69Å; H83-D526 IonicContact ND1-OD1 3.18Å; H83-D526 IonicContact ND1-OD2 3.45Å; H83-D526 PolarHBondContact ND1-OD2 2.86Å; T140-D526 WeakPolarHBondContact CB-OD1 3.38Å; T140-D526 VanDerWaalsContact CB-OD2 3.27Å; T140-D526 WeakPolarHBondContact CB-OD2 3.41Å; T140-D526 PolarHBondContact OG1-OD2 2.7Å; Y145-D526 WeakPolarHBondContact CE1-OD1 3.4Å; Y145-D526 PolarHBondContact OH-O 2.96Å; E149-D526 WeakPolarHBondContact OE1-CA 3.31Å; E149-D526 WeakPolarHBondContact OE1-CB 3.38Å; D522-D526 PolarHBondContact O-N 3.38Å; D526-G528 PolarHBondContact O-N 2.85Å; D526-G528 VanDerWaalsContact O-N 3.1Å; D526-L529 PolarHBondContact O-N 3.33Å
527S94.2Very high90.4Very high2 Ų225 Ų251%0.01413%0.125CC..Hα-helixtrans-63-21.5178.362.90000114.2V523 L529 A530 W555V523-S527 WeakPolarHBondContact O-CB 3.37Å; V523-S527 PolarHBondContact O-N 2.97Å; V523-S527 PolarHBondContact O-OG 2.74Å; S527-L529 PolarHBondContact O-N 2.83Å; S527-A530 VanDerWaalsContact O-CB 3.27Å; S527-A530 WeakPolarHBondContact O-CB 3.46Å; S527-A530 PolarHBondContact O-N 3.34Å; S527-A530 VanDerWaalsContact O-N 3.09Å; S527-W555 PolarHBondContact O-NE1 2.63Å
528G94.3Very high89Confident0 Ų032 Ų320%016%0.162CC..Hα-helixtrans-62.9-18.4174.900000113.3W524 F525 D526 W531 L559 T562W524-G528 WeakPolarHBondContact O-CA 3.45Å; W524-G528 PolarHBondContact O-N 2.99Å; F525-G528 PolarHBondContact O-N 2.81Å; D526-G528 PolarHBondContact O-N 2.85Å; D526-G528 VanDerWaalsContact O-N 3.1Å; G528-W531 PolarHBondContact O-NE1 3.47Å; G528-L559 WeakPolarHBondContact O-CD2 3.26Å; G528-T562 PolarHBondContact O-OG1 3.2Å
529L95.1Very high87.8Confident1 Ų128.3 Ų28.31%0.00515%0.145CC..THydrogen-bonded Turntrans-91.78175.5-63.7175000113.5E149 F152 D526 S527 W531 T532 T562E149-L529 HydrophobicContact CB-CD1 3.86Å; E149-L529 HydrophobicContact CG-CD1 3.81Å; F152-L529 HydrophobicContact CB-CD1 4.13Å; F152-L529 HydrophobicContact CB-CD2 4.39Å; F152-L529 HydrophobicContact CD1-CD1 3.83Å; F152-L529 HydrophobicContact CD1-CD2 3.58Å; F152-L529 HydrophobicContact CD1-CG 4.23Å; F152-L529 HydrophobicContact CD2-CD2 4.07Å; F152-L529 HydrophobicContact CE1-CD2 3.73Å; F152-L529 HydrophobicContact CE2-CD2 4.24Å; F152-L529 HydrophobicContact CG-CD1 4.15Å; F152-L529 HydrophobicContact CG-CD2 3.73Å; F152-L529 HydrophobicContact CZ-CD2 4.05Å; D526-L529 PolarHBondContact O-N 3.33Å; S527-L529 PolarHBondContact O-N 2.83Å; L529-W531 HydrophobicContact CD2-CZ2 4.19Å; L529-W531 PolarHBondContact O-N 2.95Å; L529-T532 HydrophobicContact CB-CG2 4.36Å; L529-T532 HydrophobicContact CD2-CG2 4.25Å; L529-T532 WeakPolarHBondContact O-CB 3.45Å; L529-T532 PolarHBondContact O-N 2.88Å; L529-T532 PolarHBondContact O-OG1 2.88Å; L529-T562 HydrophobicContact CD2-CG2 4.09Å
530A94.7Very high87Confident0 Ų031.9 Ų31.90%017%0.168CC..G310 helixtrans-51.3-30.317800000113.8L39 Y138 Y145 S527 T532 A533 W555 L559L39-A530 HydrophobicContact CD1-CB 4.34Å; Y138-A530 HydrophobicContact CE2-CB 4.2Å; Y138-A530 WeakPolarHBondContact OH-CB 3.21Å; Y145-A530 WeakPolarHBondContact OH-CA 3.34Å; Y145-A530 PolarHBondContact OH-N 2.96Å; S527-A530 VanDerWaalsContact O-CB 3.27Å; S527-A530 WeakPolarHBondContact O-CB 3.46Å; S527-A530 PolarHBondContact O-N 3.34Å; S527-A530 VanDerWaalsContact O-N 3.09Å; A530-T532 VanDerWaalsContact C-N 3.26Å; A530-T532 PolarHBondContact O-N 2.66Å; A530-A533 WeakPolarHBondContact O-CB 3.27Å; A530-A533 PolarHBondContact O-N 2.92Å; A530-A533 VanDerWaalsContact O-N 3.15Å; A530-W555 HydrophobicContact CB-CZ2 3.75Å; A530-L559 HydrophobicContact CB-CD2 4.31Å
531W93.8Very high86.9Confident9 Ų934 Ų343%0.03418%0.177CC..G310 helixtrans-63.7-26.9175.662.4-96.8000113.5L39 G528 L529 A533 I534 L535 T562 N566 R567 P571L39-W531 HydrophobicContact CD1-CB 4.35Å; L39-W531 HydrophobicContact CD2-CB 4.2Å; G528-W531 PolarHBondContact O-NE1 3.47Å; L529-W531 HydrophobicContact CD2-CZ2 4.19Å; L529-W531 PolarHBondContact O-N 2.95Å; W531-A533 VanDerWaalsContact C-N 3.28Å; W531-A533 PolarHBondContact O-N 3.04Å; W531-I534 PolarHBondContact O-N 3.43Å; W531-L535 HydrophobicContact CB-CD1 4.19Å; W531-L535 VanDerWaalsContact O-CB 3.25Å; W531-L535 WeakPolarHBondContact O-CB 3.44Å; W531-L535 WeakPolarHBondContact O-CG 3.18Å; W531-L535 PolarHBondContact O-N 3.08Å; W531-T562 PolarHBondContact NE1-OG1 2.78Å; W531-N566 HydrophobicContact CH2-CB 4.11Å; W531-N566 HydrophobicContact CZ2-CB 4.43Å; W531-R567 VanDerWaalsContact CE3-NH2 3.31Å; W531-R567 HydrophobicContact CH2-CG 4.41Å; W531-P571 HydrophobicContact CB-CB 3.78Å; W531-P571 HydrophobicContact CG-CB 3.89Å
532T92.7Very high86.8Confident33 Ų3333.6 Ų33.620%0.20218%0.176CC..G310 helixtrans-73.4-21.8176.269.90000112.3T148 L529 A530 I534T148-T532 HydrophobicContact CG2-CG2 4.16Å; L529-T532 HydrophobicContact CB-CG2 4.36Å; L529-T532 HydrophobicContact CD2-CG2 4.25Å; L529-T532 WeakPolarHBondContact O-CB 3.45Å; L529-T532 PolarHBondContact O-N 2.88Å; L529-T532 PolarHBondContact O-OG1 2.88Å; A530-T532 VanDerWaalsContact C-N 3.26Å; A530-T532 PolarHBondContact O-N 2.66Å; T532-I534 VanDerWaalsContact C-N 3.25Å
533A89.9Confident87Confident15 Ų1534.6 Ų34.612%0.12418%0.181CC..G310 helixtrans-77.8-13.9177.300000112.6R77 Y138 Y145 A530 W531R77-A533 WeakPolarHBondContact CD-O 3.49Å; R77-A533 PolarHBondContact NH1-O 2.9Å; Y138-A533 HydrophobicContact CD1-CB 4.14Å; Y138-A533 HydrophobicContact CD2-CB 4.1Å; Y138-A533 HydrophobicContact CG-CB 3.83Å; Y145-A533 HydrophobicContact CD2-CB 4.11Å; Y145-A533 HydrophobicContact CE2-CB 4.02Å; A530-A533 WeakPolarHBondContact O-CB 3.27Å; A530-A533 PolarHBondContact O-N 2.92Å; A530-A533 VanDerWaalsContact O-N 3.15Å; W531-A533 VanDerWaalsContact C-N 3.28Å; W531-A533 PolarHBondContact O-N 3.04Å
534I87.5Confident87.2Confident12 Ų1234.3 Ų34.36%0.06218%0.179CC..THydrogen-bonded Turntrans-121.7-38.9-173.3-52.9-174.6000111.4V37 L39 R77 Y138 W531 T532V37-I534 HydrophobicContact CG1-CG2 3.6Å; L39-I534 HydrophobicContact CD1-CD1 3.62Å; L39-I534 HydrophobicContact CD1-CG1 4.35Å; R77-I534 HydrophobicContact CB-CD1 4.36Å; R77-I534 HydrophobicContact CB-CG1 4.23Å; Y138-I534 HydrophobicContact CE1-CD1 4.11Å; Y138-I534 HydrophobicContact CE1-CG1 4.41Å; W531-I534 PolarHBondContact O-N 3.43Å; T532-I534 VanDerWaalsContact C-N 3.25Å
535L85.3Confident87.4Confident10 Ų1033 Ų335%0.05218%0.175CC..SBendtrans-96.7127.8-179-53.1178.6000109.8V37 W531 A542V37-L535 HydrophobicContact CG1-CD2 3.83Å; W531-L535 HydrophobicContact CB-CD1 4.19Å; W531-L535 VanDerWaalsContact O-CB 3.25Å; W531-L535 WeakPolarHBondContact O-CB 3.44Å; W531-L535 WeakPolarHBondContact O-CG 3.18Å; W531-L535 PolarHBondContact O-N 3.08Å; L535-A542 HydrophobicContact CD1-CB 4.47Å; L535-A542 HydrophobicContact CD2-CB 4.21Å
536E72.6Confident87.4Confident148 Ų14833 Ų3369%0.69218%0.175SC*.  trans-69.6164.3167.2-53.9178.9168.300110.4D538 S539E536-D538 VanDerWaalsContact C-N 3.29Å; E536-D538 PolarHBondContact O-N 3.25Å; E536-S539 WeakPolarHBondContact CB-OG 3.31Å; E536-S539 PolarHBondContact N-OG 3.1Å; E536-S539 VanDerWaalsContact O-CB 3.31Å; E536-S539 WeakPolarHBondContact O-CB 3.32Å; E536-S539 PolarHBondContact O-N 2.99Å
537H61.2Low87.4Confident142 Ų14233.8 Ų33.866%0.65718%0.178SC*.THydrogen-bonded Turntrans-56.5-42.6-173.7-167.5-85.5000112.7
538D65.1Low87.4Confident149 Ų14933.9 Ų33.980%0.79718%0.179SC*.THydrogen-bonded Turntrans-93.4-0.6179.9-60-26.7000113E536E536-D538 VanDerWaalsContact C-N 3.29Å; E536-D538 PolarHBondContact O-N 3.25Å
539S66.4Low87.1Confident26 Ų2636.1 Ų36.118%0.18219%0.191CC..PPolyproline II helixtrans-65.6149-179.4-79.60000112.3E536 K569E536-S539 WeakPolarHBondContact CB-OG 3.31Å; E536-S539 PolarHBondContact N-OG 3.1Å; E536-S539 VanDerWaalsContact O-CB 3.31Å; E536-S539 WeakPolarHBondContact O-CB 3.32Å; E536-S539 PolarHBondContact O-N 2.99Å; S539-K569 PolarHBondContact O-NZ 3.08Å; S539-K569 VanDerWaalsContact O-NZ 3.16Å
540P76.5Confident86.7Confident78 Ų7840 Ų4051%0.50621%0.212SC..PPolyproline II helixtrans-61.3166.9169.227.1-33.4000111.4
541Q92.2Very high86.5Confident47 Ų4741.7 Ų41.722%0.2222%0.219CC..PPolyproline II helixtrans-55.4147.2171.7-54.7174.8-10800109.7D543 K569 A570 Y572 K573Q541-D543 PolarHBondContact O-N 2.92Å; Q541-K569 HydrophobicContact CG-CD 4.27Å; Q541-A570 WeakPolarHBondContact CG-O 3.44Å; Q541-A570 PolarHBondContact NE2-O 2.82Å; Q541-Y572 PolarHBondContact NE2-O 3.02Å; Q541-K573 HydrophobicContact CB-CG 3.92Å
542A95.3Very high86.1Confident0 Ų041.3 Ų41.30%022%0.218CC..EExtended strand (participates in β ladder)trans-56141.1168.400000109.3V37 L39 L535 L544 P571 Y572 K573V37-A542 HydrophobicContact CG1-CB 4.29Å; L39-A542 HydrophobicContact CB-CB 3.79Å; L535-A542 HydrophobicContact CD1-CB 4.47Å; L535-A542 HydrophobicContact CD2-CB 4.21Å; A542-L544 VanDerWaalsContact C-N 3.33Å; A542-P571 WeakPolarHBondContact CB-O 3.4Å; A542-P571 PolarHBondContact N-O 3.16Å; A542-Y572 CarbonylContact O-C 3.48Å; A542-Y572 WeakPolarHBondContact O-CA 3.1Å; A542-K573 PolarHBondContact O-N 3.41Å
543D96Very high85.4Confident21 Ų2148.3 Ų48.311%0.11224%0.241CC..EExtended strand (participates in β ladder)trans-71.3-36.6-179.7-62.9-74.5000110.6F36 V37 Q541 K573 H574F36-D543 WeakPolarHBondContact CA-OD2 3.26Å; F36-D543 HydrophobicContact CD2-CB 3.56Å; F36-D543 HydrophobicContact CE2-CB 3.47Å; F36-D543 VanDerWaalsContact CE2-CB 3.47Å; F36-D543 HydrophobicContact CG-CB 4.27Å; F36-D543 HydrophobicContact CZ-CB 4.13Å; V37-D543 PolarHBondContact N-OD2 3.47Å; V37-D543 PolarHBondContact O-N 2.83Å; Q541-D543 PolarHBondContact O-N 2.92Å; D543-K573 WeakPolarHBondContact OD1-CE 3.14Å; D543-K573 IonicContact OD1-NZ 2.66Å; D543-K573 PolarHBondContact OD1-NZ 2.83Å; D543-H574 VanDerWaalsContact O-CB 3.31Å; D543-H574 WeakPolarHBondContact O-CB 3.43Å; D543-H574 PolarHBondContact O-CD2 3.45Å; D543-H574 PolarHBondContact O-N 3.38Å
544L96.5Very high85.1Confident0 Ų047.9 Ų47.90%024%0.238CC..EExtended strand (participates in β ladder)trans-144142.2-173.7-178.364.8000113.7F36 V37 L38 L39 I63 A542 V546 H574 I576 Y703F36-L544 HydrophobicContact CE1-CB 4.37Å; F36-L544 HydrophobicContact CE2-CB 4.47Å; F36-L544 HydrophobicContact CZ-CB 3.7Å; F36-L544 HydrophobicContact CZ-CD2 4.09Å; V37-L544 PolarHBondContact O-N 3.19Å; L38-L544 HydrophobicContact CD1-CD2 4.27Å; L39-L544 PolarHBondContact N-O 3.05Å; I63-L544 HydrophobicContact CB-CD2 4.33Å; I63-L544 HydrophobicContact CD1-CD2 3.53Å; I63-L544 HydrophobicContact CG1-CD2 4.49Å; I63-L544 HydrophobicContact CG2-CD2 3.79Å; A542-L544 VanDerWaalsContact C-N 3.33Å; L544-V546 HydrophobicContact CD1-CG2 3.99Å; L544-V546 HydrophobicContact CD2-CG2 3.65Å; L544-V546 HydrophobicContact CG-CG2 3.68Å; L544-H574 WeakPolarHBondContact CA-O 3.37Å; L544-H574 HydrophobicContact CD1-CB 3.95Å; L544-I576 HydrophobicContact CD1-CD1 3.67Å; L544-I576 HydrophobicContact CD1-CG1 3.79Å; L544-I576 HydrophobicContact CD2-CD1 4.16Å; L544-I576 HydrophobicContact CG-CD1 4.49Å; L544-Y703 HydrophobicContact CD1-CE1 4.49Å; L544-Y703 HydrophobicContact CD1-CE2 4.45Å; L544-Y703 HydrophobicContact CD2-CE1 4.08Å
545V96.3Very high85.3Confident0 Ų047.7 Ų47.70%024%0.237CC..EExtended strand (participates in β ladder)trans-129.4139.4161.761.60000109.5L39 E547 W555 F556 Y572 H574 V575 I576L39-V545 HydrophobicContact CB-CB 4.36Å; L39-V545 HydrophobicContact CG-CG2 4.48Å; V545-E547 HydrophobicContact CG2-CG 4.34Å; V545-W555 HydrophobicContact CG2-CH2 4.03Å; V545-W555 HydrophobicContact CG2-CZ3 3.54Å; V545-F556 HydrophobicContact CB-CE1 4.39Å; V545-F556 HydrophobicContact CG1-CD1 4.24Å; V545-F556 HydrophobicContact CG1-CE1 3.69Å; V545-F556 HydrophobicContact CG2-CE1 3.83Å; V545-Y572 HydrophobicContact CB-CD1 4.44Å; V545-Y572 HydrophobicContact CG1-CD1 3.69Å; V545-Y572 HydrophobicContact CG1-CD2 4.38Å; V545-Y572 HydrophobicContact CG1-CE1 4.32Å; V545-Y572 HydrophobicContact CG1-CG 3.73Å; V545-H574 PolarHBondContact N-O 2.89Å; V545-V575 HydrophobicContact CG1-CB 4.11Å; V545-V575 HydrophobicContact CG1-CG1 4.17Å; V545-V575 HydrophobicContact CG1-CG2 3.62Å; V545-V575 CarbonylContact O-C 3.43Å; V545-V575 WeakPolarHBondContact O-CA 3.43Å; V545-I576 PolarHBondContact O-N 3.22Å
546V95.7Very high85.6Confident0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-132.8110.6-174.9-176.20000109.9N56 L59 K60 L544 I576N56-V546 PolarHBondContact ND2-O 3.01Å; L59-V546 HydrophobicContact CB-CG1 4.34Å; K60-V546 WeakPolarHBondContact CE-O 3.45Å; K60-V546 HydrophobicContact CG-CB 3.87Å; K60-V546 HydrophobicContact CG-CG1 4.42Å; K60-V546 HydrophobicContact CG-CG2 4.12Å; K60-V546 PolarHBondContact NZ-O 3.41Å; L544-V546 HydrophobicContact CD1-CG2 3.99Å; L544-V546 HydrophobicContact CD2-CG2 3.65Å; L544-V546 HydrophobicContact CG-CG2 3.68Å; V546-I576 WeakPolarHBondContact CA-O 3.38Å; V546-I576 HydrophobicContact CB-CB 4.31Å; V546-I576 HydrophobicContact CG1-CB 4.02Å; V546-I576 HydrophobicContact CG1-CG2 4.01Å; V546-I576 HydrophobicContact CG2-CB 4.04Å; V546-I576 HydrophobicContact CG2-CD1 3.91Å; V546-I576 HydrophobicContact CG2-CG1 4.39Å
547E95Very high86.4Confident17 Ų1741 Ų418%0.07921%0.205CC..EExtended strand (participates in β ladder)trans-141.8172.3-180-62-55.7146.100114G41 N56 K60 V545 Q551 W555 F556 I576 V577 H578G41-E547 WeakPolarHBondContact CA-OE1 3.3Å; G41-E547 PolarHBondContact N-OE1 3.06Å; N56-E547 PolarHBondContact ND2-OE2 3.35Å; K60-E547 WeakPolarHBondContact CE-OE1 3.12Å; K60-E547 IonicContact NZ-OE1 3.8Å; K60-E547 PolarHBondContact NZ-OE1 2.89Å; V545-E547 HydrophobicContact CG2-CG 4.34Å; E547-Q551 HydrophobicContact CB-CB 3.93Å; E547-Q551 HydrophobicContact CB-CG 3.94Å; E547-W555 HydrophobicContact CG-CE3 3.72Å; E547-W555 HydrophobicContact CG-CZ3 3.54Å; E547-F556 HydrophobicContact CB-CE1 4.26Å; E547-F556 HydrophobicContact CB-CE2 4Å; E547-F556 HydrophobicContact CB-CZ 3.56Å; E547-F556 HydrophobicContact CG-CE1 4.3Å; E547-F556 HydrophobicContact CG-CZ 4.09Å; E547-I576 PolarHBondContact N-O 3.25Å; E547-V577 CarbonylContact O-C 3.51Å; E547-V577 VanDerWaalsContact O-CA 3.31Å; E547-V577 WeakPolarHBondContact O-CA 3.4Å; E547-H578 VanDerWaalsContact C-CD2 3.43Å; E547-H578 PolarHBondContact O-CD2 3.29Å; E547-H578 VanDerWaalsContact O-CD2 3.31Å; E547-H578 PolarHBondContact O-N 3.18Å
548G92.4Very high87.9Confident4 Ų434.5 Ų34.54%0.04118%0.176CC..EExtended strand (participates in β ladder)trans-71.6158.1176.800000113.6D550 Q551 H578G548-D550 WeakPolarHBondContact CA-OD1 3.49Å; G548-D550 PolarHBondContact O-N 3.43Å; G548-D550 VanDerWaalsContact O-N 3.14Å; G548-Q551 WeakPolarHBondContact O-CB 3.2Å; G548-Q551 PolarHBondContact O-N 3.3Å; G548-H578 CarbonylContact C-O 3.53Å; G548-H578 WeakPolarHBondContact CA-O 3.26Å; G548-H578 PolarHBondContact N-NE2 2.81Å
549L89.7Confident89.3Confident47 Ų4727.4 Ų27.425%0.24614%0.138CC..G310 helixtrans-55.8-27.8177.6-178.461000114.1H437 Q551 V552 V577 H578 F580H437-L549 WeakPolarHBondContact CE1-CD1 3.19Å; L549-Q551 PolarHBondContact O-N 3.44Å; L549-V552 HydrophobicContact CD1-CG2 4.1Å; L549-V552 WeakPolarHBondContact O-CB 3.3Å; L549-V552 WeakPolarHBondContact O-CG2 3.47Å; L549-V552 PolarHBondContact O-N 2.89Å; L549-V577 HydrophobicContact CB-CG1 4.06Å; L549-V577 HydrophobicContact CD1-CG1 3.9Å; L549-H578 PolarHBondContact N-O 2.88Å; L549-F580 HydrophobicContact CB-CD2 4.46Å; L549-F580 HydrophobicContact CB-CE2 3.78Å; L549-F580 HydrophobicContact CB-CZ 3.99Å; L549-F580 HydrophobicContact CD2-CD2 4.48Å; L549-F580 HydrophobicContact CD2-CE2 3.98Å; L549-F580 HydrophobicContact CG-CE2 4.12Å
550D85.4Confident90.7Very high82 Ų8226.3 Ų26.344%0.43913%0.13SC..G310 helixtrans-62.9-30.1174.251.5-45.9000112.8G548 V552 R553 F580G548-D550 WeakPolarHBondContact CA-OD1 3.49Å; G548-D550 PolarHBondContact O-N 3.43Å; G548-D550 VanDerWaalsContact O-N 3.14Å; D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 2.86Å; D550-R553 PolarHBondContact O-N 3.28Å; D550-F580 HydrophobicContact CB-CE1 3.78Å; D550-F580 HydrophobicContact CB-CZ 3.63Å; D550-F580 VanDerWaalsContact N-CZ 3.34Å; D550-F580 WeakPolarHBondContact OD1-CE1 3.41Å
551Q90.4Very high91.5Very high35 Ų3522.9 Ų22.916%0.16411%0.107CC..G310 helixtrans-77.5-12.6-176.3-58.1-53.9-39.200113.4E547 G548 L549 R553 G554 W555 F556E547-Q551 HydrophobicContact CB-CB 3.93Å; E547-Q551 HydrophobicContact CB-CG 3.94Å; G548-Q551 WeakPolarHBondContact O-CB 3.2Å; G548-Q551 PolarHBondContact O-N 3.3Å; L549-Q551 PolarHBondContact O-N 3.44Å; Q551-R553 PolarHBondContact O-N 3.15Å; Q551-G554 CarbonylContact O-C 3.35Å; Q551-G554 PolarHBondContact O-N 3.15Å; Q551-W555 HydrophobicContact CB-CB 4.37Å; Q551-W555 PolarHBondContact O-N 2.93Å; Q551-W555 VanDerWaalsContact OE1-CB 3.25Å; Q551-F556 VanDerWaalsContact C-CD2 3.48Å; Q551-F556 HydrophobicContact CB-CD2 4.09Å; Q551-F556 HydrophobicContact CB-CE2 4.04Å; Q551-F556 WeakPolarHBondContact O-CD2 3.47Å; Q551-F556 PolarHBondContact O-N 3.47Å
552V85.7Confident91.6Very high2 Ų220.8 Ų20.81%0.01210%0.097CC..G310 helixtrans-53.5-42.6171.4179.60000110.2M441 M444 L549 D550 F556 V577M441-V552 HydrophobicContact CE-CB 4.49Å; M441-V552 HydrophobicContact CE-CG1 4.18Å; M441-V552 HydrophobicContact CE-CG2 4.02Å; M441-V552 HydrophobicContact CG-CG1 3.75Å; M444-V552 VanDerWaalsContact CE-C 3.49Å; M444-V552 HydrophobicContact CE-CG1 4.13Å; M444-V552 WeakPolarHBondContact CE-O 3.49Å; L549-V552 HydrophobicContact CD1-CG2 4.1Å; L549-V552 WeakPolarHBondContact O-CB 3.3Å; L549-V552 WeakPolarHBondContact O-CG2 3.47Å; L549-V552 PolarHBondContact O-N 2.89Å; D550-V552 VanDerWaalsContact C-N 3.26Å; D550-V552 PolarHBondContact O-N 2.86Å; V552-F556 HydrophobicContact CG2-CD2 4.28Å; V552-F556 HydrophobicContact CG2-CE2 4.35Å; V552-V577 HydrophobicContact CG2-CG1 3.94Å; V552-V577 HydrophobicContact CG2-CG2 4.18Å
553R77.3Confident91.5Very high180 Ų18020.8 Ų20.868%0.67910%0.097SC*.G310 helixtrans-84.9-4.6-177.5-57.9-168.7175.9169.1-1.3116.3M444 D550 Q551M444-R553 HydrophobicContact CE-CB 4.16Å; M444-R553 HydrophobicContact CE-CG 4.04Å; M444-R553 VanDerWaalsContact SD-CA 3.55Å; M444-R553 HydrophobicContact SD-CB 3.75Å; M444-R553 HydrophobicContact SD-CG 3.63Å; D550-R553 PolarHBondContact O-N 3.28Å; Q551-R553 PolarHBondContact O-N 3.15Å
554G84.4Confident91.4Very high6 Ų619.8 Ų19.86%0.0629%0.092CC..THydrogen-bonded Turntrans-133.2-94.8-175.700000110.6Q551 F556 Q557 S558Q551-G554 CarbonylContact O-C 3.35Å; Q551-G554 PolarHBondContact O-N 3.15Å; G554-F556 PolarHBondContact O-N 2.99Å; G554-Q557 WeakPolarHBondContact O-CB 3.46Å; G554-Q557 PolarHBondContact O-N 3.3Å; G554-S558 PolarHBondContact O-N 3.09Å; G554-S558 VanDerWaalsContact O-N 3.16Å
555W91.3Very high91.3Very high8 Ų820.2 Ų20.23%0.0310%0.095CC..Hα-helixtrans-60.7-39.5-163.3-166.762.8000114.8L39 W524 S527 A530 V545 E547 Q551 Q557 S558 L559L39-W555 HydrophobicContact CG-CH2 4.21Å; W524-W555 HydrophobicContact CE3-CB 4.21Å; W524-W555 HydrophobicContact CZ3-CB 3.84Å; W524-W555 VanDerWaalsContact CZ3-N 3.33Å; S527-W555 PolarHBondContact O-NE1 2.63Å; A530-W555 HydrophobicContact CB-CZ2 3.75Å; V545-W555 HydrophobicContact CG2-CH2 4.03Å; V545-W555 HydrophobicContact CG2-CZ3 3.54Å; E547-W555 HydrophobicContact CG-CE3 3.72Å; E547-W555 HydrophobicContact CG-CZ3 3.54Å; Q551-W555 HydrophobicContact CB-CB 4.37Å; Q551-W555 PolarHBondContact O-N 2.93Å; Q551-W555 VanDerWaalsContact OE1-CB 3.25Å; W555-Q557 PolarHBondContact O-N 3.47Å; W555-S558 WeakPolarHBondContact O-CB 3.31Å; W555-S558 PolarHBondContact O-N 3.46Å; W555-S558 VanDerWaalsContact O-N 3.13Å; W555-L559 HydrophobicContact CD2-CD1 3.85Å; W555-L559 HydrophobicContact CD2-CG 4.1Å; W555-L559 HydrophobicContact CE3-CD1 3.74Å; W555-L559 HydrophobicContact CE3-CG 4.49Å; W555-L559 HydrophobicContact CH2-CD1 3.6Å; W555-L559 HydrophobicContact CH2-CD2 4.38Å; W555-L559 HydrophobicContact CH2-CG 4.4Å; W555-L559 HydrophobicContact CZ2-CD1 3.75Å; W555-L559 HydrophobicContact CZ2-CD2 3.8Å; W555-L559 HydrophobicContact CZ2-CG 4.05Å; W555-L559 HydrophobicContact CZ3-CD1 3.64Å; W555-L559 WeakPolarHBondContact O-CG 3.45Å; W555-L559 PolarHBondContact O-N 2.97Å
556F92.7Very high91Very high1 Ų123 Ų230%0.00411%0.111CC..Hα-helixtrans-58.7-37.9177.1-72.7-55.7000112.1M441 V545 E547 Q551 V552 G554 L560 Y572 V575 V577M441-F556 HydrophobicContact CE-CB 4.19Å; M441-F556 HydrophobicContact CE-CD2 3.68Å; M441-F556 HydrophobicContact CE-CE2 4.18Å; M441-F556 HydrophobicContact CE-CG 3.99Å; V545-F556 HydrophobicContact CB-CE1 4.39Å; V545-F556 HydrophobicContact CG1-CD1 4.24Å; V545-F556 HydrophobicContact CG1-CE1 3.69Å; V545-F556 HydrophobicContact CG2-CE1 3.83Å; E547-F556 HydrophobicContact CB-CE1 4.26Å; E547-F556 HydrophobicContact CB-CE2 4Å; E547-F556 HydrophobicContact CB-CZ 3.56Å; E547-F556 HydrophobicContact CG-CE1 4.3Å; E547-F556 HydrophobicContact CG-CZ 4.09Å; Q551-F556 VanDerWaalsContact C-CD2 3.48Å; Q551-F556 HydrophobicContact CB-CD2 4.09Å; Q551-F556 HydrophobicContact CB-CE2 4.04Å; Q551-F556 WeakPolarHBondContact O-CD2 3.47Å; Q551-F556 PolarHBondContact O-N 3.47Å; V552-F556 HydrophobicContact CG2-CD2 4.28Å; V552-F556 HydrophobicContact CG2-CE2 4.35Å; G554-F556 PolarHBondContact O-N 2.99Å; F556-L560 WeakPolarHBondContact O-CB 3.39Å; F556-L560 PolarHBondContact O-N 3.37Å; F556-L560 VanDerWaalsContact O-N 3.07Å; F556-Y572 PolarHBondContact O-OH 2.97Å; F556-V575 HydrophobicContact CD1-CG1 4.02Å; F556-V575 HydrophobicContact CE1-CG1 3.43Å; F556-V575 VanDerWaalsContact CE1-CG1 3.43Å; F556-V575 HydrophobicContact CE2-CG1 4.11Å; F556-V575 HydrophobicContact CZ-CG1 3.45Å; F556-V575 VanDerWaalsContact CZ-CG1 3.45Å; F556-V577 HydrophobicContact CE2-CG2 4.08Å; F556-V577 HydrophobicContact CZ-CG2 4.41Å
557Q89Confident90.7Very high16 Ų1624.6 Ų24.68%0.07512%0.116CC..Hα-helixtrans-71.2-41.5176.5-60.8-156.7-26.200112M444 G554 W555 L559 L560 F561M444-Q557 VanDerWaalsContact CB-NE2 3.3Å; M444-Q557 HydrophobicContact CE-CG 4.05Å; G554-Q557 WeakPolarHBondContact O-CB 3.46Å; G554-Q557 PolarHBondContact O-N 3.3Å; W555-Q557 PolarHBondContact O-N 3.47Å; Q557-L559 VanDerWaalsContact C-N 3.31Å; Q557-L559 PolarHBondContact O-N 3.2Å; Q557-L560 PolarHBondContact O-N 3.04Å; Q557-F561 HydrophobicContact CB-CD2 4.19Å; Q557-F561 HydrophobicContact CB-CE2 4.25Å; Q557-F561 WeakPolarHBondContact O-CB 3.33Å; Q557-F561 VanDerWaalsContact O-CD2 3.26Å; Q557-F561 WeakPolarHBondContact O-CD2 3.36Å; Q557-F561 PolarHBondContact O-N 2.79Å
558S92.8Very high90.5Very high6 Ų629.6 Ų29.64%0.04214%0.138CC..Hα-helixtrans-58.6-45.3176.8-61.60000111.8W524 G554 W555 T562W524-S558 WeakPolarHBondContact O-CB 3.41Å; W524-S558 PolarHBondContact O-OG 3.23Å; W524-S558 VanDerWaalsContact O-OG 3.11Å; G554-S558 PolarHBondContact O-N 3.09Å; G554-S558 VanDerWaalsContact O-N 3.16Å; W555-S558 WeakPolarHBondContact O-CB 3.31Å; W555-S558 PolarHBondContact O-N 3.46Å; W555-S558 VanDerWaalsContact O-N 3.13Å; S558-T562 WeakPolarHBondContact O-CB 3.29Å; S558-T562 VanDerWaalsContact O-CG2 3.23Å; S558-T562 WeakPolarHBondContact O-CG2 3.27Å; S558-T562 PolarHBondContact O-N 3Å; S558-T562 PolarHBondContact O-OG1 2.89Å
559L94.8Very high90.4Very high0 Ų032.4 Ų32.40%015%0.149CC..Hα-helixtrans-57.9-49.1173.2-71.5176.5000111.3L39 G528 A530 W555 Q557 T562 S563 P571 Y572L39-L559 HydrophobicContact CD2-CD1 3.88Å; L39-L559 HydrophobicContact CD2-CD2 4.06Å; G528-L559 WeakPolarHBondContact O-CD2 3.26Å; A530-L559 HydrophobicContact CB-CD2 4.31Å; W555-L559 HydrophobicContact CD2-CD1 3.85Å; W555-L559 HydrophobicContact CD2-CG 4.1Å; W555-L559 HydrophobicContact CE3-CD1 3.74Å; W555-L559 HydrophobicContact CE3-CG 4.49Å; W555-L559 HydrophobicContact CH2-CD1 3.6Å; W555-L559 HydrophobicContact CH2-CD2 4.38Å; W555-L559 HydrophobicContact CH2-CG 4.4Å; W555-L559 HydrophobicContact CZ2-CD1 3.75Å; W555-L559 HydrophobicContact CZ2-CD2 3.8Å; W555-L559 HydrophobicContact CZ2-CG 4.05Å; W555-L559 HydrophobicContact CZ3-CD1 3.64Å; W555-L559 WeakPolarHBondContact O-CG 3.45Å; W555-L559 PolarHBondContact O-N 2.97Å; Q557-L559 VanDerWaalsContact C-N 3.31Å; Q557-L559 PolarHBondContact O-N 3.2Å; L559-T562 PolarHBondContact O-OG1 3.12Å; L559-T562 VanDerWaalsContact O-OG1 3.11Å; L559-S563 VanDerWaalsContact O-CB 3.22Å; L559-S563 WeakPolarHBondContact O-CB 3.4Å; L559-S563 PolarHBondContact O-N 3.1Å; L559-P571 HydrophobicContact CB-CG 3.82Å; L559-P571 WeakPolarHBondContact O-CG 3.45Å; L559-Y572 HydrophobicContact CB-CE1 3.96Å; L559-Y572 HydrophobicContact CD1-CD1 4.24Å; L559-Y572 HydrophobicContact CD1-CE1 3.94Å
560L94.3Very high90.6Very high3 Ų330.2 Ų30.22%0.01614%0.138CC..Hα-helixtrans-62.3-52-178.6-178.362000111.8A423 L427 I445 F556 Q557 S563 V564 A570A423-L560 HydrophobicContact CB-CD2 4.05Å; A423-L560 HydrophobicContact CB-CG 4.18Å; L427-L560 HydrophobicContact CB-CD2 4.47Å; L427-L560 HydrophobicContact CD1-CD2 4.42Å; I445-L560 HydrophobicContact CD1-CD2 3.57Å; F556-L560 WeakPolarHBondContact O-CB 3.39Å; F556-L560 PolarHBondContact O-N 3.37Å; F556-L560 VanDerWaalsContact O-N 3.07Å; Q557-L560 PolarHBondContact O-N 3.04Å; L560-S563 PolarHBondContact O-N 3.49Å; L560-V564 HydrophobicContact CD1-CG2 3.83Å; L560-V564 HydrophobicContact CG-CG2 4.34Å; L560-V564 VanDerWaalsContact O-CB 3.25Å; L560-V564 WeakPolarHBondContact O-CB 3.36Å; L560-V564 WeakPolarHBondContact O-CG2 3.4Å; L560-V564 PolarHBondContact O-N 3.13Å; L560-A570 HydrophobicContact CD1-CB 3.81Å
561F93.6Very high91.1Very high5 Ų526.3 Ų26.32%0.02212%0.117CC..Hα-helixtrans-63.4-44.4-177.6-79.7-58.7000112T416 L419 A423 I445 W451 Q557 V564 A565T416-F561 HydrophobicContact CG2-CD1 4.15Å; T416-F561 HydrophobicContact CG2-CD2 4.3Å; T416-F561 HydrophobicContact CG2-CE1 4.11Å; T416-F561 HydrophobicContact CG2-CE2 4.26Å; T416-F561 HydrophobicContact CG2-CG 4.26Å; T416-F561 HydrophobicContact CG2-CZ 4.17Å; L419-F561 HydrophobicContact CB-CD1 4.05Å; L419-F561 HydrophobicContact CB-CE1 4.34Å; L419-F561 HydrophobicContact CD1-CD1 4.31Å; A423-F561 HydrophobicContact CB-CD1 4.43Å; A423-F561 HydrophobicContact CB-CE1 4.19Å; I445-F561 HydrophobicContact CG1-CZ 4.49Å; I445-F561 HydrophobicContact CG2-CZ 4.13Å; W451-F561 HydrophobicContact CZ3-CB 4.37Å; Q557-F561 HydrophobicContact CB-CD2 4.19Å; Q557-F561 HydrophobicContact CB-CE2 4.25Å; Q557-F561 WeakPolarHBondContact O-CB 3.33Å; Q557-F561 VanDerWaalsContact O-CD2 3.26Å; Q557-F561 WeakPolarHBondContact O-CD2 3.36Å; Q557-F561 PolarHBondContact O-N 2.79Å; F561-V564 PolarHBondContact O-N 3.4Å; F561-A565 WeakPolarHBondContact O-CB 3.43Å; F561-A565 PolarHBondContact O-N 2.85Å
562T94.6Very high91.3Very high3 Ų324.8 Ų24.82%0.01811%0.11CC..Hα-helixtrans-65.7-42.9179.455.40000111.7F152 W451 G528 L529 W531 S558 L559 A565 N566F152-T562 HydrophobicContact CE1-CG2 3.94Å; F152-T562 HydrophobicContact CZ-CG2 4.02Å; W451-T562 HydrophobicContact CH2-CG2 4.46Å; W451-T562 HydrophobicContact CZ3-CG2 4.33Å; G528-T562 PolarHBondContact O-OG1 3.2Å; L529-T562 HydrophobicContact CD2-CG2 4.09Å; W531-T562 PolarHBondContact NE1-OG1 2.78Å; S558-T562 WeakPolarHBondContact O-CB 3.29Å; S558-T562 VanDerWaalsContact O-CG2 3.23Å; S558-T562 WeakPolarHBondContact O-CG2 3.27Å; S558-T562 PolarHBondContact O-N 3Å; S558-T562 PolarHBondContact O-OG1 2.89Å; L559-T562 PolarHBondContact O-OG1 3.12Å; L559-T562 VanDerWaalsContact O-OG1 3.11Å; T562-A565 PolarHBondContact O-N 3.01Å; T562-N566 PolarHBondContact O-N 3.24Å
563S94Very high91.8Very high0 Ų028.1 Ų28.10%012%0.124CC..Hα-helixtrans-67.7-40.3177.5-175.70000112.4L559 L560 N566 R567 K568 K569L559-S563 VanDerWaalsContact O-CB 3.22Å; L559-S563 WeakPolarHBondContact O-CB 3.4Å; L559-S563 PolarHBondContact O-N 3.1Å; L560-S563 PolarHBondContact O-N 3.49Å; S563-N566 PolarHBondContact O-N 3.27Å; S563-R567 WeakPolarHBondContact O-CA 3.47Å; S563-R567 WeakPolarHBondContact O-CB 3.48Å; S563-R567 PolarHBondContact O-N 3.34Å; S563-R567 PolarHBondContact OG-NE 3.03Å; S563-R567 PolarHBondContact OG-NH2 2.93Å; S563-K568 PolarHBondContact O-N 2.93Å; S563-K569 CarbonylContact C-O 3.38Å; S563-K569 WeakPolarHBondContact CB-O 3.29Å; S563-K569 PolarHBondContact OG-O 3.3Å
564V93.7Very high92.7Very high0 Ų021.6 Ų21.60%010%0.101CC..Hα-helixtrans-68.3-37.7177166.50000111.1L419 C422 L560 F561 N566 K568L419-V564 HydrophobicContact CD2-CG1 4.41Å; C422-V564 HydrophobicContact CB-CG1 3.69Å; C422-V564 VanDerWaalsContact SG-CG1 3.55Å; L560-V564 HydrophobicContact CD1-CG2 3.83Å; L560-V564 HydrophobicContact CG-CG2 4.34Å; L560-V564 VanDerWaalsContact O-CB 3.25Å; L560-V564 WeakPolarHBondContact O-CB 3.36Å; L560-V564 WeakPolarHBondContact O-CG2 3.4Å; L560-V564 PolarHBondContact O-N 3.13Å; F561-V564 PolarHBondContact O-N 3.4Å; V564-N566 VanDerWaalsContact C-N 3.33Å; V564-N566 PolarHBondContact O-N 3.39Å; V564-K568 WeakPolarHBondContact O-CA 3.28Å; V564-K568 WeakPolarHBondContact O-CD 3.37Å; V564-K568 PolarHBondContact O-N 3.14Å; V564-K568 VanDerWaalsContact O-N 3.08Å
565A93.4Very high93.2Very high9 Ų921.3 Ų21.37%0.07410%0.098CC..Hα-helixtrans-60.1-43.3176.200000111.8F152 L156 L161 L419 F561 T562F152-A565 HydrophobicContact CZ-CB 4.42Å; L156-A565 HydrophobicContact CD1-CB 4.08Å; L156-A565 HydrophobicContact CD2-CB 3.57Å; L156-A565 HydrophobicContact CG-CB 4.49Å; L161-A565 HydrophobicContact CD1-CB 4.13Å; L419-A565 HydrophobicContact CD1-CB 3.77Å; L419-A565 HydrophobicContact CD2-CB 4.11Å; F561-A565 WeakPolarHBondContact O-CB 3.43Å; F561-A565 PolarHBondContact O-N 2.85Å; T562-A565 PolarHBondContact O-N 3.01Å
566N89.8Confident93.4Very high60 Ų6021.6 Ų21.632%0.32110%0.1SC..Hα-helixtrans-83.9-49.6-179.2-166.9-110.9000114.4F152 W531 T562 S563 V564F152-N566 HydrophobicContact CD2-CB 4.43Å; F152-N566 HydrophobicContact CE2-CB 3.91Å; W531-N566 HydrophobicContact CH2-CB 4.11Å; W531-N566 HydrophobicContact CZ2-CB 4.43Å; T562-N566 PolarHBondContact O-N 3.24Å; S563-N566 PolarHBondContact O-N 3.27Å; V564-N566 VanDerWaalsContact C-N 3.33Å; V564-N566 PolarHBondContact O-N 3.39Å
567R89.4Confident93.4Very high32 Ų3221.8 Ų21.812%0.12110%0.102CC..Hα-helixtrans-115.8-2.6-164-55.4-174.9-63.2-177.6-2.5114W531 S563 K569W531-R567 VanDerWaalsContact CE3-NH2 3.31Å; W531-R567 HydrophobicContact CH2-CG 4.41Å; S563-R567 WeakPolarHBondContact O-CA 3.47Å; S563-R567 WeakPolarHBondContact O-CB 3.48Å; S563-R567 PolarHBondContact O-N 3.34Å; S563-R567 PolarHBondContact OG-NE 3.03Å; S563-R567 PolarHBondContact OG-NH2 2.93Å; R567-K569 HydrophobicContact CB-CG 3.88Å; R567-K569 PolarHBondContact O-N 2.98Å; R567-K569 VanDerWaalsContact O-N 3.08Å
568K90.9Very high93.7Very high122 Ų12221.8 Ų21.853%0.5310%0.102SC..SBendtrans55.524.3-177.8-49.8-65.5170-162.70114.3S563 V564S563-K568 PolarHBondContact O-N 2.93Å; V564-K568 WeakPolarHBondContact O-CA 3.28Å; V564-K568 WeakPolarHBondContact O-CD 3.37Å; V564-K568 PolarHBondContact O-N 3.14Å; V564-K568 VanDerWaalsContact O-N 3.08Å
569K91.7Very high93.7Very high64 Ų6421.7 Ų21.728%0.27810%0.101SC..SBendtrans-142.1153.5178.663.8-177176.5177.60110.9S539 Q541 S563 R567S539-K569 PolarHBondContact O-NZ 3.08Å; S539-K569 VanDerWaalsContact O-NZ 3.16Å; Q541-K569 HydrophobicContact CG-CD 4.27Å; S563-K569 CarbonylContact C-O 3.38Å; S563-K569 WeakPolarHBondContact CB-O 3.29Å; S563-K569 PolarHBondContact OG-O 3.3Å; R567-K569 HydrophobicContact CB-CG 3.88Å; R567-K569 PolarHBondContact O-N 2.98Å; R567-K569 VanDerWaalsContact O-N 3.08Å
570A94Very high93.5Very high1 Ų125.8 Ų25.81%0.00812%0.119CC..  trans-63.8149.2171.500000110.7V430 Q541 L560 Y572V430-A570 HydrophobicContact CG2-CB 3.78Å; Q541-A570 WeakPolarHBondContact CG-O 3.44Å; Q541-A570 PolarHBondContact NE2-O 2.82Å; L560-A570 HydrophobicContact CD1-CB 3.81Å; A570-Y572 VanDerWaalsContact C-N 3.26Å; A570-Y572 PolarHBondContact O-N 2.76Å
571P94.9Very high93.5Very high0 Ų026.5 Ų26.50%012%0.124CC..SBendtrans-80.7-6.6-179.728.7-26.6000113.5W531 A542 L559W531-P571 HydrophobicContact CB-CB 3.78Å; W531-P571 HydrophobicContact CG-CB 3.89Å; A542-P571 WeakPolarHBondContact CB-O 3.4Å; A542-P571 PolarHBondContact N-O 3.16Å; L559-P571 HydrophobicContact CB-CG 3.82Å; L559-P571 WeakPolarHBondContact O-CG 3.45Å
572Y95.5Very high93.5Very high2 Ų227.8 Ų27.81%0.00813%0.13CC..EExtended strand (participates in β ladder)trans-137.1155.3-176.242.3-108.6000111.7L39 V430 Q541 A542 V545 F556 L559 A570 V575L39-Y572 HydrophobicContact CD2-CD1 4.46Å; V430-Y572 HydrophobicContact CG1-CD2 3.68Å; V430-Y572 HydrophobicContact CG1-CE2 3.77Å; V430-Y572 HydrophobicContact CG2-CD2 4.05Å; V430-Y572 HydrophobicContact CG2-CE2 4.04Å; Q541-Y572 PolarHBondContact NE2-O 3.02Å; A542-Y572 CarbonylContact O-C 3.48Å; A542-Y572 WeakPolarHBondContact O-CA 3.1Å; V545-Y572 HydrophobicContact CB-CD1 4.44Å; V545-Y572 HydrophobicContact CG1-CD1 3.69Å; V545-Y572 HydrophobicContact CG1-CD2 4.38Å; V545-Y572 HydrophobicContact CG1-CE1 4.32Å; V545-Y572 HydrophobicContact CG1-CG 3.73Å; F556-Y572 PolarHBondContact O-OH 2.97Å; L559-Y572 HydrophobicContact CB-CE1 3.96Å; L559-Y572 HydrophobicContact CD1-CD1 4.24Å; L559-Y572 HydrophobicContact CD1-CE1 3.94Å; A570-Y572 VanDerWaalsContact C-N 3.26Å; A570-Y572 PolarHBondContact O-N 2.76Å; Y572-V575 HydrophobicContact CD2-CG2 3.41Å; Y572-V575 VanDerWaalsContact CD2-CG2 3.41Å; Y572-V575 HydrophobicContact CE2-CG2 3.41Å; Y572-V575 VanDerWaalsContact CE2-CG2 3.41Å; Y572-V575 HydrophobicContact CG-CG2 4.07Å
573K95.6Very high93.3Very high72 Ų7228 Ų2831%0.31313%0.131SC..EExtended strand (participates in β ladder)trans-96.1-41.4173.1-58.4178-168.5161.40112.2V430 D431 Q541 A542 D543V430-K573 WeakPolarHBondContact CA-O 2.98Å; V430-K573 WeakPolarHBondContact CG1-O 3.38Å; D431-K573 PolarHBondContact N-O 3.49Å; Q541-K573 HydrophobicContact CB-CG 3.92Å; A542-K573 PolarHBondContact O-N 3.41Å; D543-K573 WeakPolarHBondContact OD1-CE 3.14Å; D543-K573 IonicContact OD1-NZ 2.66Å; D543-K573 PolarHBondContact OD1-NZ 2.83Å
574H95.8Very high93Very high44 Ų4431.1 Ų31.120%0.20415%0.145CC..EExtended strand (participates in β ladder)trans-123.1140.5179.7-52.7-61.9000111.4D431 F433 D543 L544 V545 Y703D431-H574 CarbonylContact O-C 3.52Å; D431-H574 VanDerWaalsContact O-CA 3.31Å; D431-H574 WeakPolarHBondContact O-CA 3.29Å; D431-H574 IonicContact OD2-CE1 2.77Å; D431-H574 PolarHBondContact OD2-CE1 3.37Å; D431-H574 VanDerWaalsContact OD2-CE1 3.27Å; D431-H574 IonicContact OD2-ND1 2.69Å; D431-H574 PolarHBondContact OD2-ND1 3.29Å; F433-H574 HydrophobicContact CE2-CB 4.17Å; F433-H574 AromaticContact CE2-ND1 4Å; D543-H574 VanDerWaalsContact O-CB 3.31Å; D543-H574 WeakPolarHBondContact O-CB 3.43Å; D543-H574 PolarHBondContact O-CD2 3.45Å; D543-H574 PolarHBondContact O-N 3.38Å; L544-H574 WeakPolarHBondContact CA-O 3.37Å; L544-H574 HydrophobicContact CD1-CB 3.95Å; V545-H574 PolarHBondContact N-O 2.89Å; H574-Y703 HydrophobicContact CB-CE2 4.06Å; H574-Y703 PolarHBondContact CD2-OH 3.01Å
575V95.5Very high92.7Very high0 Ų036.4 Ų36.40%017%0.17CC..EExtended strand (participates in β ladder)trans-123.7124.3175.71780000109.3V430 D431 I432 F433 M441 V545 F556 Y572 V577V430-V575 HydrophobicContact CG1-CG2 3.71Å; D431-V575 PolarHBondContact O-N 3.48Å; I432-V575 CarbonylContact C-O 3.46Å; I432-V575 WeakPolarHBondContact CA-O 3.41Å; I432-V575 HydrophobicContact CG1-CB 4.14Å; I432-V575 HydrophobicContact CG1-CG2 4.46Å; I432-V575 HydrophobicContact CG2-CB 4.49Å; F433-V575 PolarHBondContact N-O 2.94Å; M441-V575 HydrophobicContact CE-CG1 4.22Å; V545-V575 HydrophobicContact CG1-CB 4.11Å; V545-V575 HydrophobicContact CG1-CG1 4.17Å; V545-V575 HydrophobicContact CG1-CG2 3.62Å; V545-V575 CarbonylContact O-C 3.43Å; V545-V575 WeakPolarHBondContact O-CA 3.43Å; F556-V575 HydrophobicContact CD1-CG1 4.02Å; F556-V575 HydrophobicContact CE1-CG1 3.43Å; F556-V575 VanDerWaalsContact CE1-CG1 3.43Å; F556-V575 HydrophobicContact CE2-CG1 4.11Å; F556-V575 HydrophobicContact CZ-CG1 3.45Å; F556-V575 VanDerWaalsContact CZ-CG1 3.45Å; Y572-V575 HydrophobicContact CD2-CG2 3.41Å; Y572-V575 VanDerWaalsContact CD2-CG2 3.41Å; Y572-V575 HydrophobicContact CE2-CG2 3.41Å; Y572-V575 VanDerWaalsContact CE2-CG2 3.41Å; Y572-V575 HydrophobicContact CG-CG2 4.07Å; V575-V577 HydrophobicContact CG1-CG2 4.04Å
576I94.7Very high92.4Very high14 Ų1437.9 Ų37.97%0.07219%0.187CC..EExtended strand (participates in β ladder)trans-104.9129.1169.3-62.1168.5000109I63 F433 L544 V545 V546 E547 Y703I63-I576 HydrophobicContact CD1-CD1 3.63Å; F433-I576 HydrophobicContact CB-CG1 4.2Å; F433-I576 HydrophobicContact CD2-CG1 4.45Å; F433-I576 WeakPolarHBondContact O-CA 3.37Å; L544-I576 HydrophobicContact CD1-CD1 3.67Å; L544-I576 HydrophobicContact CD1-CG1 3.79Å; L544-I576 HydrophobicContact CD2-CD1 4.16Å; L544-I576 HydrophobicContact CG-CD1 4.49Å; V545-I576 PolarHBondContact O-N 3.22Å; V546-I576 WeakPolarHBondContact CA-O 3.38Å; V546-I576 HydrophobicContact CB-CB 4.31Å; V546-I576 HydrophobicContact CG1-CB 4.02Å; V546-I576 HydrophobicContact CG1-CG2 4.01Å; V546-I576 HydrophobicContact CG2-CB 4.04Å; V546-I576 HydrophobicContact CG2-CD1 3.91Å; V546-I576 HydrophobicContact CG2-CG1 4.39Å; E547-I576 PolarHBondContact N-O 3.25Å; I576-Y703 VanDerWaalsContact CD1-CB 3.49Å; I576-Y703 HydrophobicContact CD1-CD1 3.88Å; I576-Y703 HydrophobicContact CD1-CD2 4.06Å; I576-Y703 HydrophobicContact CD1-CG 3.54Å; I576-Y703 HydrophobicContact CG1-CD2 4.33Å; I576-Y703 HydrophobicContact CG1-CG 4.26Å
577V94.1Very high92.3Very high5 Ų541.2 Ų41.23%0.0320%0.195CC..EExtended strand (participates in β ladder)trans-111.9112.5175.1-173.70000109I432 F433 M441 E547 L549 V552 F556 V575I432-V577 HydrophobicContact CG2-CG2 4.42Å; F433-V577 PolarHBondContact O-N 2.66Å; M441-V577 HydrophobicContact CE-CG2 4.3Å; E547-V577 CarbonylContact O-C 3.51Å; E547-V577 VanDerWaalsContact O-CA 3.31Å; E547-V577 WeakPolarHBondContact O-CA 3.4Å; L549-V577 HydrophobicContact CB-CG1 4.06Å; L549-V577 HydrophobicContact CD1-CG1 3.9Å; V552-V577 HydrophobicContact CG2-CG1 3.94Å; V552-V577 HydrophobicContact CG2-CG2 4.18Å; F556-V577 HydrophobicContact CE2-CG2 4.08Å; F556-V577 HydrophobicContact CZ-CG2 4.41Å; V575-V577 HydrophobicContact CG1-CG2 4.04Å
578H94.2Very high92.1Very high16 Ų1648.3 Ų48.37%0.07423%0.226CC..EExtended strand (participates in β ladder)trans-96.6156.3174.969.873.8000112N56 L59 E547 G548 L549N56-H578 PolarHBondContact ND2-NE2 2.88Å; N56-H578 VanDerWaalsContact ND2-NE2 3.16Å; L59-H578 HydrophobicContact CD1-CB 3.94Å; E547-H578 VanDerWaalsContact C-CD2 3.43Å; E547-H578 PolarHBondContact O-CD2 3.29Å; E547-H578 VanDerWaalsContact O-CD2 3.31Å; E547-H578 PolarHBondContact O-N 3.18Å; G548-H578 CarbonylContact C-O 3.53Å; G548-H578 WeakPolarHBondContact CA-O 3.26Å; G548-H578 PolarHBondContact N-NE2 2.81Å; L549-H578 PolarHBondContact N-O 2.88Å
579G92.4Very high91.9Very high4 Ų444.3 Ų44.34%0.04121%0.21CC..  trans-74.4-174.2179.500000115.2R632 T633 I635G579-R632 WeakPolarHBondContact CA-O 3.37Å; G579-R632 PolarHBondContact N-O 2.8Å; G579-R632 VanDerWaalsContact N-O 3.12Å; G579-T633 CarbonylContact C-O 3.52Å; G579-T633 WeakPolarHBondContact CA-O 3.39Å; G579-I635 WeakPolarHBondContact O-CD1 2.99Å
580F91.9Very high91.5Very high86 Ų8643.4 Ų43.438%0.37721%0.211SC..EExtended strand (participates in β ladder)trans-96.4141.8175.2-62.9-70.9000111.7L549 D550 T633 I635L549-F580 HydrophobicContact CB-CD2 4.46Å; L549-F580 HydrophobicContact CB-CE2 3.78Å; L549-F580 HydrophobicContact CB-CZ 3.99Å; L549-F580 HydrophobicContact CD2-CD2 4.48Å; L549-F580 HydrophobicContact CD2-CE2 3.98Å; L549-F580 HydrophobicContact CG-CE2 4.12Å; D550-F580 HydrophobicContact CB-CE1 3.78Å; D550-F580 HydrophobicContact CB-CZ 3.63Å; D550-F580 VanDerWaalsContact N-CZ 3.34Å; D550-F580 WeakPolarHBondContact OD1-CE1 3.41Å; F580-T633 PolarHBondContact N-O 2.72Å; F580-I635 PolarHBondContact O-N 2.75Å
581V93.6Very high90.8Very high17 Ų1752.6 Ų52.610%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-74.1130.7171.1-170.20000110.1I51 V55 M589 W624 I635 V637I51-V581 HydrophobicContact CG2-CB 4.1Å; I51-V581 HydrophobicContact CG2-CG1 3.72Å; I51-V581 HydrophobicContact CG2-CG2 4.26Å; V55-V581 HydrophobicContact CG2-CG2 3.79Å; V581-M589 HydrophobicContact CB-CE 3.56Å; V581-M589 HydrophobicContact CG1-CE 3.43Å; V581-M589 VanDerWaalsContact CG1-CE 3.43Å; V581-M589 HydrophobicContact CG1-SD 4.17Å; V581-W624 HydrophobicContact CG1-CH2 4.17Å; V581-W624 HydrophobicContact CG1-CZ2 4.25Å; V581-W624 HydrophobicContact CG2-CH2 4.06Å; V581-I635 VanDerWaalsContact CA-O 3.3Å; V581-I635 WeakPolarHBondContact CA-O 3.49Å; V581-I635 HydrophobicContact CG2-CB 4.25Å; V581-I635 HydrophobicContact CG2-CD1 4.48Å; V581-I635 HydrophobicContact CG2-CG2 4.33Å; V581-V637 HydrophobicContact CG1-CB 3.88Å; V581-V637 HydrophobicContact CG1-CG1 3.45Å; V581-V637 VanDerWaalsContact CG1-CG1 3.45Å
582Q93.4Very high89.8Confident33 Ų3358.3 Ų58.315%0.15429%0.292CS..EExtended strand (participates in β ladder)trans-132157.7179.5-69.2176.4-10.600109.9G586 R587 N634 I635 V637Q582-G586 PolarHBondContact OE1-O 3.16Å; Q582-R587 WeakPolarHBondContact CA-O 3.38Å; Q582-N634 PolarHBondContact NE2-OD1 3.48Å; Q582-N634 PolarHBondContact OE1-ND2 3.3Å; Q582-N634 PolarHBondContact OE1-OD1 2.86Å; Q582-I635 PolarHBondContact N-O 3.18Å; Q582-V637 PolarHBondContact O-N 3.26Å
583D91.4Very high89Confident8 Ų860.7 Ų60.74%0.04331%0.312CS..EExtended strand (participates in β ladder)trans-67.7173170.372.711.4000111.6Q585 G586 R587 N595D583-Q585 PolarHBondContact O-N 2.89Å; D583-Q585 WeakPolarHBondContact OD1-CA 3.45Å; D583-Q585 WeakPolarHBondContact OD1-CB 3.49Å; D583-Q585 PolarHBondContact OD1-N 2.94Å; D583-Q585 PolarHBondContact OD2-OE1 3.09Å; D583-G586 PolarHBondContact O-N 3.25Å; D583-G586 PolarHBondContact OD1-N 3.43Å; D583-G586 VanDerWaalsContact OD1-N 3.12Å; D583-R587 PolarHBondContact N-O 2.92Å; D583-R587 VanDerWaalsContact N-O 3.07Å; D583-R587 WeakPolarHBondContact OD1-CB 3.27Å; D583-R587 PolarHBondContact OD1-N 3.18Å; D583-R587 IonicContact OD1-NE 2.67Å; D583-R587 IonicContact OD2-CZ 2.72Å; D583-R587 VanDerWaalsContact OD2-CZ 3.23Å; D583-R587 IonicContact OD2-NE 2.88Å; D583-R587 PolarHBondContact OD2-NE 3.37Å; D583-R587 IonicContact OD2-NH2 3.36Å; D583-R587 PolarHBondContact OD2-NH2 3.47Å; D583-N595 HydrophobicContact CB-CB 4.15Å; D583-N595 PolarHBondContact OD2-ND2 2.85Å
584E87Confident88.4Confident64 Ų6460.6 Ų60.630%0.29933%0.331SS..THydrogen-bonded Turntrans-59.4-18.6178.8-71175.1162.600114.2G586 N609 G638 E639 S640E584-G586 VanDerWaalsContact C-N 3.35Å; E584-N609 PolarHBondContact OE2-ND2 2.98Å; E584-G638 WeakPolarHBondContact OE1-CA 2.86Å; E584-E639 PolarHBondContact OE1-N 2.67Å; E584-S640 WeakPolarHBondContact OE1-CB 3.44Å; E584-S640 PolarHBondContact OE1-N 3.13Å; E584-S640 PolarHBondContact OE1-OG 3.4Å
585Q86.7Confident87.9Confident111 Ų11159 Ų5952%0.51932%0.324SS..THydrogen-bonded Turntrans-93.35.9176.5-62.478.143.400112.4D583 R587D583-Q585 PolarHBondContact O-N 2.89Å; D583-Q585 WeakPolarHBondContact OD1-CA 3.45Å; D583-Q585 WeakPolarHBondContact OD1-CB 3.49Å; D583-Q585 PolarHBondContact OD1-N 2.94Å; D583-Q585 PolarHBondContact OD2-OE1 3.09Å; Q585-R587 VanDerWaalsContact C-N 3.27Å; Q585-R587 HydrophobicContact CB-CG 4.24Å; Q585-R587 PolarHBondContact O-N 3.45Å; Q585-R587 VanDerWaalsContact OE1-NH2 3.17Å
586G87.3Confident87.6Confident41 Ų4162.3 Ų62.342%0.42334%0.344SS..SBendtrans73.814.9-178.400000113.8Q582 D583 E584Q582-G586 PolarHBondContact OE1-O 3.16Å; D583-G586 PolarHBondContact O-N 3.25Å; D583-G586 PolarHBondContact OD1-N 3.43Å; D583-G586 VanDerWaalsContact OD1-N 3.12Å; E584-G586 VanDerWaalsContact C-N 3.35Å
587R87.4Confident87.5Confident130 Ų13061.9 Ų61.949%0.49134%0.342SS..PPolyproline II helixtrans-87.4146.1179.3-55.4175.8-62.6-180-0.8110.2Q582 D583 Q585 M589Q582-R587 WeakPolarHBondContact CA-O 3.38Å; D583-R587 PolarHBondContact N-O 2.92Å; D583-R587 VanDerWaalsContact N-O 3.07Å; D583-R587 WeakPolarHBondContact OD1-CB 3.27Å; D583-R587 PolarHBondContact OD1-N 3.18Å; D583-R587 IonicContact OD1-NE 2.67Å; D583-R587 IonicContact OD2-CZ 2.72Å; D583-R587 VanDerWaalsContact OD2-CZ 3.23Å; D583-R587 IonicContact OD2-NE 2.88Å; D583-R587 PolarHBondContact OD2-NE 3.37Å; D583-R587 IonicContact OD2-NH2 3.36Å; D583-R587 PolarHBondContact OD2-NH2 3.47Å; Q585-R587 VanDerWaalsContact C-N 3.27Å; Q585-R587 HydrophobicContact CB-CG 4.24Å; Q585-R587 PolarHBondContact O-N 3.45Å; Q585-R587 VanDerWaalsContact OE1-NH2 3.17Å; R587-M589 PolarHBondContact O-N 2.81Å
588K87.1Confident87.3Confident181 Ų18163.8 Ų63.879%0.78736%0.358SS*.BIsolated β-bridgetrans-59.3133.1170.4-173.1176.1-178.6177.20109.5N595K588-N595 PolarHBondContact O-ND2 3.18Å
589M86.6Confident87.3Confident38 Ų3863.2 Ų63.219%0.18736%0.355CS..PPolyproline II helixtrans-70.6134.4176.6-67.8-178-64.300111.4I51 V581 R587 N595 V596 V637I51-M589 HydrophobicContact CG2-CE 3.43Å; I51-M589 VanDerWaalsContact CG2-CE 3.43Å; I51-M589 HydrophobicContact CG2-SD 4.11Å; V581-M589 HydrophobicContact CB-CE 3.56Å; V581-M589 HydrophobicContact CG1-CE 3.43Å; V581-M589 VanDerWaalsContact CG1-CE 3.43Å; V581-M589 HydrophobicContact CG1-SD 4.17Å; R587-M589 PolarHBondContact O-N 2.81Å; M589-N595 VanDerWaalsContact CA-OD1 3.32Å; M589-N595 WeakPolarHBondContact CA-OD1 3.36Å; M589-N595 WeakPolarHBondContact CG-O 3.47Å; M589-V596 HydrophobicContact CB-CG2 4.28Å; M589-V637 HydrophobicContact SD-CG1 3.68Å
590S82.5Confident87.3Confident44 Ų4466.3 Ų66.331%0.30837%0.371SS..  trans-150.9147.917169.30000111.4S592 A593 G594 N595 V596S590-S592 PolarHBondContact O-N 2.98Å; S590-S592 PolarHBondContact OG-OG 3.37Å; S590-A593 PolarHBondContact O-N 3.03Å; S590-A593 VanDerWaalsContact O-N 3.08Å; S590-A593 WeakPolarHBondContact OG-CB 3.38Å; S590-A593 PolarHBondContact OG-N 3.39Å; S590-G594 PolarHBondContact O-N 2.75Å; S590-N595 PolarHBondContact N-OD1 3.21Å; S590-N595 PolarHBondContact O-OD1 2.97Å; S590-V596 WeakPolarHBondContact O-CG2 3.44Å
591K78.9Confident87.3Confident194 Ų19463 Ų6384%0.84336%0.358SS*.G310 helixtrans-58.6-36.7179.7-69.9-175.2177.4-175.50111.9A593 G594 V596K591-A593 VanDerWaalsContact C-N 3.35Å; K591-G594 PolarHBondContact O-N 2.61Å; K591-V596 HydrophobicContact CG-CG2 4.31Å
592S74.7Confident87.3Confident121 Ų12162.2 Ų62.285%0.84635%0.353SS*.G310 helixtrans-68.9-30.1177.448.20000113.4S590 G594S590-S592 PolarHBondContact O-N 2.98Å; S590-S592 PolarHBondContact OG-OG 3.37Å; S592-G594 VanDerWaalsContact C-N 3.29Å
593A78.8Confident87.2Confident52 Ų5260.7 Ų60.743%0.4335%0.346SS..G310 helixtrans-80-9.9173.600000113.3S590 K591 N595S590-A593 PolarHBondContact O-N 3.03Å; S590-A593 VanDerWaalsContact O-N 3.08Å; S590-A593 WeakPolarHBondContact OG-CB 3.38Å; S590-A593 PolarHBondContact OG-N 3.39Å; K591-A593 VanDerWaalsContact C-N 3.35Å; A593-N595 WeakPolarHBondContact CB-OD1 3.43Å; A593-N595 PolarHBondContact O-N 2.91Å; A593-N595 VanDerWaalsContact O-N 3.14Å
594G82.1Confident87.1Confident69 Ų6965 Ų6571%0.71136%0.362SS*.THydrogen-bonded Turntrans6611.2179.700000114.8S590 K591 S592S590-G594 PolarHBondContact O-N 2.75Å; K591-G594 PolarHBondContact O-N 2.61Å; S592-G594 VanDerWaalsContact C-N 3.29Å
595N86.5Confident87.2Confident12 Ų1262.6 Ų62.66%0.06435%0.354CS..  trans-101.916.2-175.468.3-17.8000113.4D583 K588 M589 S590 A593D583-N595 HydrophobicContact CB-CB 4.15Å; D583-N595 PolarHBondContact OD2-ND2 2.85Å; K588-N595 PolarHBondContact O-ND2 3.18Å; M589-N595 VanDerWaalsContact CA-OD1 3.32Å; M589-N595 WeakPolarHBondContact CA-OD1 3.36Å; M589-N595 WeakPolarHBondContact CG-O 3.47Å; S590-N595 PolarHBondContact N-OD1 3.21Å; S590-N595 PolarHBondContact O-OD1 2.97Å; A593-N595 WeakPolarHBondContact CB-OD1 3.43Å; A593-N595 PolarHBondContact O-N 2.91Å; A593-N595 VanDerWaalsContact O-N 3.14Å
596V89.2Confident87.4Confident68 Ų6858.6 Ų58.641%0.41234%0.343SS..PPolyproline II helixtrans-80.4124.9-179.2177.60000110.1M589 S590 K591M589-V596 HydrophobicContact CB-CG2 4.28Å; S590-V596 WeakPolarHBondContact O-CG2 3.44Å; K591-V596 HydrophobicContact CG-CG2 4.31Å
597V90.7Very high87.3Confident6 Ų661.2 Ų61.24%0.03635%0.351CS..PPolyproline II helixtrans-103.5121.1170.6-1760000109.2V601 F602 V608 V637V597-V601 HydrophobicContact CG1-CB 4.17Å; V597-V601 HydrophobicContact CG1-CG1 4.42Å; V597-V601 HydrophobicContact CG1-CG2 4.2Å; V597-F602 HydrophobicContact CG1-CE2 4.47Å; V597-V608 HydrophobicContact CG1-CG2 4.18Å; V597-V608 HydrophobicContact CG2-CG1 3.96Å; V597-V608 HydrophobicContact CG2-CG2 4.27Å; V597-V637 HydrophobicContact CB-CG1 4.2Å; V597-V637 HydrophobicContact CB-CG2 4.01Å; V597-V637 HydrophobicContact CG1-CG2 3.98Å; V597-V637 HydrophobicContact CG2-CG1 4.12Å; V597-V637 HydrophobicContact CG2-CG2 4.2Å
598A91.6Very high87.2Confident44 Ų4455.3 Ų55.336%0.36433%0.329SS..PPolyproline II helixtrans-81148.2174.800000110.8D600 V601A598-D600 PolarHBondContact O-N 3.22Å; A598-V601 WeakPolarHBondContact O-CB 3.36Å; A598-V601 WeakPolarHBondContact O-CG2 3.17Å; A598-V601 PolarHBondContact O-N 3Å
599P93.1Very high87Confident4 Ų450.1 Ų50.13%0.02631%0.31CS..THydrogen-bonded Turntrans-53.3-36.5173.9-2533.7000112.8I51 A54 W128 V601 F602 L621I51-P599 HydrophobicContact CD1-CB 4.5Å; I51-P599 HydrophobicContact CD1-CG 4.42Å; A54-P599 HydrophobicContact CB-CG 4.49Å; W128-P599 HydrophobicContact CH2-CB 4.39Å; W128-P599 HydrophobicContact CH2-CG 4.05Å; W128-P599 HydrophobicContact CZ2-CB 3.56Å; W128-P599 HydrophobicContact CZ2-CG 3.61Å; P599-V601 PolarHBondContact O-N 3.16Å; P599-V601 VanDerWaalsContact O-N 3.09Å; P599-F602 WeakPolarHBondContact O-CB 3.4Å; P599-F602 PolarHBondContact O-N 2.81Å; P599-L621 HydrophobicContact CB-CD2 4.14Å
600D91.9Very high86.8Confident69 Ų6956 Ų5637%0.36934%0.343SS..Hα-helixtrans-58.7-22.7179.6-75-15.2000114.1A598 F602 L603 R604A598-D600 PolarHBondContact O-N 3.22Å; D600-F602 PolarHBondContact O-N 2.99Å; D600-L603 PolarHBondContact O-N 2.64Å; D600-R604 PolarHBondContact O-N 3.18Å; D600-R604 IonicContact OD1-CZ 2.87Å; D600-R604 IonicContact OD1-NH1 3.99Å; D600-R604 PolarHBondContact OD1-NH1 2.92Å; D600-R604 IonicContact OD2-NH1 2.67Å; D600-R604 PolarHBondContact OD2-NH1 2.64Å
601V92Very high86.8Confident17 Ų1759 Ų5910%0.10335%0.35CS..Hα-helixtrans-60.6-37174174.20000111.2V597 A598 P599 G605 V608 I613 I642V597-V601 HydrophobicContact CG1-CB 4.17Å; V597-V601 HydrophobicContact CG1-CG1 4.42Å; V597-V601 HydrophobicContact CG1-CG2 4.2Å; A598-V601 WeakPolarHBondContact O-CB 3.36Å; A598-V601 WeakPolarHBondContact O-CG2 3.17Å; A598-V601 PolarHBondContact O-N 3Å; P599-V601 PolarHBondContact O-N 3.16Å; P599-V601 VanDerWaalsContact O-N 3.09Å; V601-G605 CarbonylContact O-C 3.59Å; V601-G605 WeakPolarHBondContact O-CA 3.32Å; V601-G605 PolarHBondContact O-N 2.96Å; V601-V608 HydrophobicContact CG1-CG2 3.55Å; V601-V608 HydrophobicContact CG2-CG2 4.33Å; V601-I613 HydrophobicContact CG1-CD1 4.41Å; V601-I642 HydrophobicContact CG1-CD1 4.47Å
602F93.3Very high87.2Confident0 Ų055.5 Ų55.50%035%0.345CS..Hα-helixtrans-70.7-40.8176-73.2-96.9000111.2I51 V597 P599 D600 L616 G617 L621 W624 V637 I642I51-F602 HydrophobicContact CD1-CD2 4.16Å; I51-F602 HydrophobicContact CD1-CE2 3.82Å; V597-F602 HydrophobicContact CG1-CE2 4.47Å; P599-F602 WeakPolarHBondContact O-CB 3.4Å; P599-F602 PolarHBondContact O-N 2.81Å; D600-F602 PolarHBondContact O-N 2.99Å; F602-L616 HydrophobicContact CD1-CD1 4.18Å; F602-L616 WeakPolarHBondContact O-CA 3.46Å; F602-L616 WeakPolarHBondContact O-CB 3.44Å; F602-L616 PolarHBondContact O-N 2.9Å; F602-G617 PolarHBondContact O-N 3.15Å; F602-G617 VanDerWaalsContact O-N 3.16Å; F602-L621 HydrophobicContact CB-CB 3.78Å; F602-L621 HydrophobicContact CB-CD1 4.27Å; F602-L621 HydrophobicContact CD1-CB 4.49Å; F602-L621 HydrophobicContact CD2-CD1 3.77Å; F602-L621 HydrophobicContact CE2-CD1 4.2Å; F602-L621 HydrophobicContact CG-CB 4.14Å; F602-L621 HydrophobicContact CG-CD1 3.95Å; F602-W624 HydrophobicContact CD1-CB 4.37Å; F602-W624 HydrophobicContact CE1-CB 3.54Å; F602-W624 HydrophobicContact CE1-CD2 4.31Å; F602-W624 AromaticContact CE1-CG 3.71Å; F602-W624 HydrophobicContact CE1-CG 3.71Å; F602-W624 HydrophobicContact CE2-CD2 4.46Å; F602-W624 HydrophobicContact CZ-CB 3.95Å; F602-W624 AromaticContact CZ-CD1 3.96Å; F602-W624 AromaticContact CZ-CD2 3.77Å; F602-W624 HydrophobicContact CZ-CD2 3.77Å; F602-W624 HydrophobicContact CZ-CE3 4.25Å; F602-W624 AromaticContact CZ-CG 3.59Å; F602-W624 HydrophobicContact CZ-CG 3.59Å; F602-V637 HydrophobicContact CE2-CG2 4.21Å; F602-V637 HydrophobicContact CZ-CG2 4.27Å; F602-I642 HydrophobicContact CE1-CD1 4.49Å; F602-I642 HydrophobicContact CE1-CG1 3.7Å; F602-I642 HydrophobicContact CE2-CD1 4.28Å; F602-I642 HydrophobicContact CE2-CG1 4.27Å; F602-I642 HydrophobicContact CZ-CD1 4.05Å; F602-I642 HydrophobicContact CZ-CG1 3.55Å
603L92Very high87.8Confident2 Ų250.3 Ų50.31%0.0131%0.308CS..Hα-helixtrans-73.6-54-175.6-80.761.3000111.5I7 E127 D600 P615 V618 L621I7-L603 WeakPolarHBondContact CD1-O 3.28Å; I7-L603 VanDerWaalsContact CG1-O 3.28Å; I7-L603 WeakPolarHBondContact CG1-O 3.36Å; E127-L603 HydrophobicContact CG-CD2 3.93Å; D600-L603 PolarHBondContact O-N 2.64Å; L603-P615 WeakPolarHBondContact O-CB 3.28Å; L603-V618 HydrophobicContact CG-CG2 4.46Å; L603-L621 HydrophobicContact CD1-CB 3.96Å; L603-L621 HydrophobicContact CD1-CD2 3.81Å
604R90.2Very high88.3Confident97 Ų9749.3 Ų49.337%0.36630%0.297SS..Hα-helixtrans-105.1-3.5-169.6-68.1177.4-162.890.50.3114.4I7 E127 D600I7-R604 HydrophobicContact CD1-CB 4.02Å; I7-R604 HydrophobicContact CD1-CG 3.31Å; E127-R604 IonicContact OE1-CZ 3.73Å; E127-R604 IonicContact OE1-NH2 3.32Å; E127-R604 PolarHBondContact OE1-NH2 2.82Å; E127-R604 IonicContact OE2-CZ 3.63Å; E127-R604 IonicContact OE2-NH2 3.95Å; E127-R604 PolarHBondContact OE2-NH2 2.72Å; D600-R604 PolarHBondContact O-N 3.18Å; D600-R604 IonicContact OD1-CZ 2.87Å; D600-R604 IonicContact OD1-NH1 3.99Å; D600-R604 PolarHBondContact OD1-NH1 2.92Å; D600-R604 IonicContact OD2-NH1 2.67Å; D600-R604 PolarHBondContact OD2-NH1 2.64Å
605G89.4Confident88.7Confident14 Ų1447 Ų4714%0.14427%0.269CS..  trans73.5179.2-16800000111V601 I613V601-G605 CarbonylContact O-C 3.59Å; V601-G605 WeakPolarHBondContact O-CA 3.32Å; V601-G605 PolarHBondContact O-N 2.96Å; G605-I613 CarbonylContact C-O 3.59Å; G605-I613 WeakPolarHBondContact CA-O 3.47Å
606G89Confident88.9Confident27 Ų2747 Ų4728%0.27827%0.269SS..EExtended strand (participates in β ladder)trans162.2-169.9-177.600000111.6T612 I613G606-T612 CarbonylContact O-C 3.37Å; G606-T612 WeakPolarHBondContact O-CA 3.42Å; G606-I613 PolarHBondContact N-O 3.06Å; G606-I613 PolarHBondContact O-N 2.73Å
607T86.6Confident89.1Confident96 Ų9643.7 Ų43.759%0.58925%0.249SC*.EExtended strand (participates in β ladder)trans-105.7123.4176.3-56.40000109.8K611T607-K611 WeakPolarHBondContact CA-O 3.4Å
608V85.2Confident89.2Confident7 Ų743.9 Ų43.94%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-127.1133.5171.8178.30000107.5V597 V601 N610 K611 I613 I642V597-V608 HydrophobicContact CG1-CG2 4.18Å; V597-V608 HydrophobicContact CG2-CG1 3.96Å; V597-V608 HydrophobicContact CG2-CG2 4.27Å; V601-V608 HydrophobicContact CG1-CG2 3.55Å; V601-V608 HydrophobicContact CG2-CG2 4.33Å; V608-N610 PolarHBondContact O-N 2.89Å; V608-N610 VanDerWaalsContact O-N 3.17Å; V608-K611 PolarHBondContact N-O 2.87Å; V608-K611 PolarHBondContact O-N 3.45Å; V608-I613 HydrophobicContact CB-CD1 3.64Å; V608-I613 HydrophobicContact CB-CG1 4.43Å; V608-I613 HydrophobicContact CG1-CD1 4.45Å; V608-I613 HydrophobicContact CG2-CD1 3.7Å; V608-I642 HydrophobicContact CG2-CD1 4.36Å
609N83Confident89.4Confident72 Ų7241.8 Ų41.839%0.38523%0.233SC..THydrogen-bonded Turntrans49.842.4-179.9-59.8-1.5000113E584 K611E584-N609 PolarHBondContact OE2-ND2 2.98Å; N609-K611 PolarHBondContact O-N 3.39Å
610N81Confident89.6Confident162 Ų16241.6 Ų41.687%0.86623%0.232SC*.THydrogen-bonded Turntrans61.717.1-176.3-58.7-32.4000115.8V608V608-N610 PolarHBondContact O-N 2.89Å; V608-N610 VanDerWaalsContact O-N 3.17Å
611K84.3Confident89.8Confident105 Ų10538.3 Ų38.346%0.45721%0.214SC..EExtended strand (participates in β ladder)trans-119.8138.3175.3-74174.1177.91740111.5T607 V608 N609 I613 E639T607-K611 WeakPolarHBondContact CA-O 3.4Å; V608-K611 PolarHBondContact N-O 2.87Å; V608-K611 PolarHBondContact O-N 3.45Å; N609-K611 PolarHBondContact O-N 3.39Å; K611-I613 PolarHBondContact O-N 3.32Å; K611-E639 HydrophobicContact CD-CG 4.15Å; K611-E639 WeakPolarHBondContact CD-OE1 3.38Å; K611-E639 WeakPolarHBondContact CD-OE2 3.46Å; K611-E639 WeakPolarHBondContact CE-OE1 3.18Å; K611-E639 WeakPolarHBondContact CE-OE2 3.5Å; K611-E639 IonicContact NZ-OE1 2.71Å; K611-E639 PolarHBondContact NZ-OE1 3.45Å; K611-E639 IonicContact NZ-OE2 3.4Å; K611-E639 PolarHBondContact NZ-OE2 2.88Å
612T87Confident90.1Very high122 Ų12237.5 Ų37.575%0.74821%0.209SC*.EExtended strand (participates in β ladder)trans-78.7118.4177.1-51.50000109.9G606G606-T612 CarbonylContact O-C 3.37Å; G606-T612 WeakPolarHBondContact O-CA 3.42Å
613I87.3Confident90.3Very high12 Ų1237.5 Ų37.56%0.06221%0.209CC..EExtended strand (participates in β ladder)trans-98.2127.3175.6-61.3-172.4000107.6V601 G605 G606 V608 K611 I642V601-I613 HydrophobicContact CG1-CD1 4.41Å; G605-I613 CarbonylContact C-O 3.59Å; G605-I613 WeakPolarHBondContact CA-O 3.47Å; G606-I613 PolarHBondContact N-O 3.06Å; G606-I613 PolarHBondContact O-N 2.73Å; V608-I613 HydrophobicContact CB-CD1 3.64Å; V608-I613 HydrophobicContact CB-CG1 4.43Å; V608-I613 HydrophobicContact CG1-CD1 4.45Å; V608-I613 HydrophobicContact CG2-CD1 3.7Å; K611-I613 PolarHBondContact O-N 3.32Å; I613-I642 HydrophobicContact CD1-CB 4.09Å; I613-I642 HydrophobicContact CD1-CD1 3.44Å; I613-I642 VanDerWaalsContact CD1-CD1 3.44Å; I613-I642 HydrophobicContact CD1-CG1 4.35Å; I613-I642 HydrophobicContact CD1-CG2 3.92Å; I613-I642 HydrophobicContact CG2-CG2 3.6Å
614P88.2Confident90.6Very high31 Ų3137.4 Ų37.420%0.20121%0.209CC..PPolyproline II helixtrans-74154.2172.729.9-30.5000110.9P3 L616P3-P614 HydrophobicContact CG-CB 4.23Å; P614-L616 PolarHBondContact O-N 2.87Å
615P90.3Very high90.9Very high19 Ų1932.8 Ų32.812%0.12319%0.191CC..PPolyproline II helixtrans-54.8135.3172.423.5-35.4000111.6P3 L603P3-P615 HydrophobicContact CB-CG 3.23Å; P3-P615 HydrophobicContact CG-CG 4.21Å; P3-P615 VanDerWaalsContact O-CG 3.31Å; P3-P615 WeakPolarHBondContact O-CG 3.5Å; L603-P615 WeakPolarHBondContact O-CB 3.28Å
616L92Very high91.3Very high12 Ų1232.1 Ų32.16%0.06319%0.185CC..  trans-104.1-14.2173.9-55.4-175.7000111.9F602 P614 I642 V645 R646F602-L616 HydrophobicContact CD1-CD1 4.18Å; F602-L616 WeakPolarHBondContact O-CA 3.46Å; F602-L616 WeakPolarHBondContact O-CB 3.44Å; F602-L616 PolarHBondContact O-N 2.9Å; P614-L616 PolarHBondContact O-N 2.87Å; L616-I642 HydrophobicContact CD1-CG2 3.68Å; L616-V645 HydrophobicContact CD1-CG1 4.04Å; L616-R646 HydrophobicContact CD1-CB 4.35Å; L616-R646 HydrophobicContact CD2-CB 3.64Å; L616-R646 HydrophobicContact CD2-CG 3.61Å
617G92.4Very high91.7Very high0 Ų031.9 Ų31.90%018%0.177CC..  trans79.8-174.4-174.400000113D10 F602 G620D10-G617 VanDerWaalsContact OD2-CA 3.26Å; D10-G617 WeakPolarHBondContact OD2-CA 3.43Å; F602-G617 PolarHBondContact O-N 3.15Å; F602-G617 VanDerWaalsContact O-N 3.16Å; G617-G620 PolarHBondContact O-N 3.39Å
618V94.2Very high92.1Very high10 Ų1028.9 Ų28.96%0.06116%0.155CC..Hα-helixtrans-62.5-46.3-175.9175.60000111.2D10 E127 A129 L603 G620 L621 R622D10-V618 HydrophobicContact CB-CG2 4.14Å; D10-V618 PolarHBondContact OD2-N 3.4Å; E127-V618 WeakPolarHBondContact O-CG2 3.32Å; A129-V618 HydrophobicContact CB-CG1 4.02Å; L603-V618 HydrophobicContact CG-CG2 4.46Å; V618-G620 PolarHBondContact O-N 3.46Å; V618-L621 WeakPolarHBondContact O-CB 3.27Å; V618-L621 PolarHBondContact O-N 3.36Å; V618-R622 HydrophobicContact CG1-CG 4.35Å; V618-R622 WeakPolarHBondContact O-CG 3.5Å; V618-R622 PolarHBondContact O-N 3.43Å; V618-R622 VanDerWaalsContact O-N 3.09Å
619D95.6Very high92.4Very high0 Ų028.5 Ų28.50%015%0.153CC..Hα-helixtrans-66.9-21179.2-81.83.5000113.2R622 L623 L764 P765 N766 L767D619-R622 PolarHBondContact O-N 2.79Å; D619-L623 WeakPolarHBondContact O-CB 3.45Å; D619-L623 PolarHBondContact O-N 2.93Å; D619-L764 HydrophobicContact CB-CD2 4.09Å; D619-L764 VanDerWaalsContact OD2-C 3.24Å; D619-L764 WeakPolarHBondContact OD2-CA 3.35Å; D619-L764 WeakPolarHBondContact OD2-CB 3.4Å; D619-P765 WeakPolarHBondContact OD1-CD 3.46Å; D619-N766 PolarHBondContact OD1-N 3.21Å; D619-N766 PolarHBondContact OD2-N 3.15Å; D619-L767 VanDerWaalsContact OD2-CB 3.26Å; D619-L767 WeakPolarHBondContact OD2-CB 3.45Å; D619-L767 PolarHBondContact OD2-N 3.11Å
620G95.9Very high92.5Very high0 Ų025.3 Ų25.30%014%0.136CC..Hα-helixtrans-63.1-45.6169.200000112.1G617 V618 W624 V645G617-G620 PolarHBondContact O-N 3.39Å; V618-G620 PolarHBondContact O-N 3.46Å; G620-W624 PolarHBondContact O-N 2.88Å; G620-W624 VanDerWaalsContact O-N 3.17Å; G620-V645 VanDerWaalsContact O-CG1 3.25Å; G620-V645 WeakPolarHBondContact O-CG1 3.26Å
621L96.8Very high92.4Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-64.4-43.8174.9178.861.4000111.1I51 A54 I58 W128 P599 F602 L603 V618 W624 V625I51-L621 HydrophobicContact CD1-CD1 3.62Å; A54-L621 HydrophobicContact CB-CD1 4.07Å; A54-L621 HydrophobicContact CB-CD2 4.02Å; A54-L621 HydrophobicContact CB-CG 4.34Å; I58-L621 HydrophobicContact CD1-CD2 3.92Å; I58-L621 HydrophobicContact CD1-CG 3.73Å; W128-L621 HydrophobicContact CD2-CD2 4.16Å; W128-L621 HydrophobicContact CG-CD2 3.96Å; P599-L621 HydrophobicContact CB-CD2 4.14Å; F602-L621 HydrophobicContact CB-CB 3.78Å; F602-L621 HydrophobicContact CB-CD1 4.27Å; F602-L621 HydrophobicContact CD1-CB 4.49Å; F602-L621 HydrophobicContact CD2-CD1 3.77Å; F602-L621 HydrophobicContact CE2-CD1 4.2Å; F602-L621 HydrophobicContact CG-CB 4.14Å; F602-L621 HydrophobicContact CG-CD1 3.95Å; L603-L621 HydrophobicContact CD1-CB 3.96Å; L603-L621 HydrophobicContact CD1-CD2 3.81Å; V618-L621 WeakPolarHBondContact O-CB 3.27Å; V618-L621 PolarHBondContact O-N 3.36Å; L621-W624 HydrophobicContact CD1-CE3 4.07Å; L621-W624 HydrophobicContact CD1-CZ3 4.49Å; L621-W624 WeakPolarHBondContact O-CB 3.41Å; L621-W624 PolarHBondContact O-N 3.29Å; L621-V625 PolarHBondContact O-N 3.03Å
622R97.9Very high92.2Very high0 Ų021.9 Ų21.90%011%0.114CC..Hα-helixtrans-66.6-41.4-178.5-60.8176.464.991.42.4112.6I58 D61 W128 A129 V618 D619 W624 V625 A626 P762 I763I58-R622 HydrophobicContact CD1-CG 4.02Å; I58-R622 HydrophobicContact CG1-CG 4.38Å; I58-R622 HydrophobicContact CG2-CB 4.17Å; I58-R622 HydrophobicContact CG2-CG 4.09Å; D61-R622 IonicContact OD2-CZ 3.71Å; D61-R622 IonicContact OD2-NH1 2.72Å; D61-R622 PolarHBondContact OD2-NH1 2.67Å; D61-R622 IonicContact OD2-NH2 3.02Å; D61-R622 PolarHBondContact OD2-NH2 2.97Å; W128-R622 PolarHBondContact O-NH1 3.41Å; W128-R622 VanDerWaalsContact O-NH1 3.13Å; A129-R622 PolarHBondContact O-NH1 3.4Å; V618-R622 HydrophobicContact CG1-CG 4.35Å; V618-R622 WeakPolarHBondContact O-CG 3.5Å; V618-R622 PolarHBondContact O-N 3.43Å; V618-R622 VanDerWaalsContact O-N 3.09Å; D619-R622 PolarHBondContact O-N 2.79Å; R622-W624 VanDerWaalsContact C-N 3.31Å; R622-W624 PolarHBondContact O-N 3.07Å; R622-V625 PolarHBondContact O-N 3.06Å; R622-A626 WeakPolarHBondContact O-CB 3.34Å; R622-A626 PolarHBondContact O-N 2.91Å; R622-P762 PolarHBondContact NH2-O 3.38Å; R622-I763 WeakPolarHBondContact CB-O 3.25Å; R622-I763 PolarHBondContact NE-O 3.34Å
623L98.1Very high92.1Very high0 Ų019.9 Ų19.90%010%0.102CC..Hα-helixtrans-62.2-39.1174.7-177.556.4000111.7D619 A626 L627 V645 T648 L649 M709 L764D619-L623 WeakPolarHBondContact O-CB 3.45Å; D619-L623 PolarHBondContact O-N 2.93Å; L623-A626 PolarHBondContact O-N 3.47Å; L623-L627 HydrophobicContact CD1-CD1 3.87Å; L623-L627 HydrophobicContact CD1-CG 3.98Å; L623-L627 HydrophobicContact CG-CD1 3.9Å; L623-L627 HydrophobicContact CG-CG 4.41Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 VanDerWaalsContact O-CG 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.47Å; L623-L627 PolarHBondContact O-N 2.76Å; L623-V645 HydrophobicContact CB-CG1 4.13Å; L623-V645 HydrophobicContact CD2-CG1 4.08Å; L623-V645 HydrophobicContact CG-CG1 4.18Å; L623-T648 HydrophobicContact CD2-CG2 3.96Å; L623-L649 HydrophobicContact CD2-CB 4.07Å; L623-L649 HydrophobicContact CD2-CD1 4.34Å; L623-M709 HydrophobicContact CD1-CE 3.72Å; L623-M709 HydrophobicContact CD1-CG 3.74Å; L623-M709 HydrophobicContact CD1-SD 3.75Å; L623-L764 HydrophobicContact CB-CD2 3.76Å; L623-L764 HydrophobicContact CD1-CD2 4.31Å
624W97.7Very high92.2Very high0 Ų023 Ų230%012%0.118CC..Hα-helixtrans-61.4-47.5173.3172.875.5000111.5I51 V55 V581 F602 G620 L621 R622 A626 L627 Y628 I635 P636 V637 V645I51-W624 HydrophobicContact CD1-CE3 4.13Å; I51-W624 HydrophobicContact CD1-CH2 4.04Å; I51-W624 HydrophobicContact CD1-CZ3 3.61Å; I51-W624 HydrophobicContact CG1-CE3 4.42Å; I51-W624 HydrophobicContact CG1-CH2 3.42Å; I51-W624 VanDerWaalsContact CG1-CH2 3.42Å; I51-W624 HydrophobicContact CG1-CZ2 4.3Å; I51-W624 HydrophobicContact CG1-CZ3 3.49Å; I51-W624 VanDerWaalsContact CG1-CZ3 3.49Å; V55-W624 HydrophobicContact CG2-CH2 3.57Å; V55-W624 HydrophobicContact CG2-CZ3 3.56Å; V581-W624 HydrophobicContact CG1-CH2 4.17Å; V581-W624 HydrophobicContact CG1-CZ2 4.25Å; V581-W624 HydrophobicContact CG2-CH2 4.06Å; F602-W624 HydrophobicContact CD1-CB 4.37Å; F602-W624 HydrophobicContact CE1-CB 3.54Å; F602-W624 HydrophobicContact CE1-CD2 4.31Å; F602-W624 AromaticContact CE1-CG 3.71Å; F602-W624 HydrophobicContact CE1-CG 3.71Å; F602-W624 HydrophobicContact CE2-CD2 4.46Å; F602-W624 HydrophobicContact CZ-CB 3.95Å; F602-W624 AromaticContact CZ-CD1 3.96Å; F602-W624 AromaticContact CZ-CD2 3.77Å; F602-W624 HydrophobicContact CZ-CD2 3.77Å; F602-W624 HydrophobicContact CZ-CE3 4.25Å; F602-W624 AromaticContact CZ-CG 3.59Å; F602-W624 HydrophobicContact CZ-CG 3.59Å; G620-W624 PolarHBondContact O-N 2.88Å; G620-W624 VanDerWaalsContact O-N 3.17Å; L621-W624 HydrophobicContact CD1-CE3 4.07Å; L621-W624 HydrophobicContact CD1-CZ3 4.49Å; L621-W624 WeakPolarHBondContact O-CB 3.41Å; L621-W624 PolarHBondContact O-N 3.29Å; R622-W624 VanDerWaalsContact C-N 3.31Å; R622-W624 PolarHBondContact O-N 3.07Å; W624-A626 VanDerWaalsContact C-N 3.28Å; W624-A626 PolarHBondContact O-N 3.31Å; W624-L627 PolarHBondContact O-N 2.95Å; W624-Y628 AromaticContact CD1-CD2 3.43Å; W624-Y628 VanDerWaalsContact CD1-CD2 3.43Å; W624-Y628 AromaticContact CD1-CE2 3.91Å; W624-Y628 HydrophobicContact CG-CD2 4.21Å; W624-Y628 AromaticContact NE1-CD2 3.81Å; W624-Y628 VanDerWaalsContact O-CD2 3.32Å; W624-Y628 WeakPolarHBondContact O-CD2 3.27Å; W624-Y628 PolarHBondContact O-N 2.86Å; W624-I635 HydrophobicContact CH2-CG2 4Å; W624-I635 HydrophobicContact CZ2-CG2 3.67Å; W624-P636 PolarHBondContact NE1-O 2.94Å; W624-P636 VanDerWaalsContact NE1-O 3.15Å; W624-V637 HydrophobicContact CZ2-CB 3.79Å; W624-V637 HydrophobicContact CZ2-CG2 4Å; W624-V645 HydrophobicContact CB-CG2 3.79Å; W624-V645 HydrophobicContact CG-CG2 4.46Å
625V97.9Very high92.5Very high0 Ų021.5 Ų21.50%011%0.109CC..Hα-helixtrans-59.8-41.61751760000111.1V55 I58 L59 L621 R622 L627 G629V55-V625 HydrophobicContact CG2-CG2 4.3Å; I58-V625 HydrophobicContact CB-CB 4.23Å; I58-V625 HydrophobicContact CB-CG1 4.02Å; I58-V625 HydrophobicContact CB-CG2 4.15Å; I58-V625 HydrophobicContact CD1-CG2 3.89Å; I58-V625 HydrophobicContact CG2-CB 3.88Å; I58-V625 HydrophobicContact CG2-CG1 3.87Å; I58-V625 HydrophobicContact CG2-CG2 4.26Å; L59-V625 HydrophobicContact CD2-CG1 3.79Å; L59-V625 HydrophobicContact CG-CG1 3.73Å; L621-V625 PolarHBondContact O-N 3.03Å; R622-V625 PolarHBondContact O-N 3.06Å; V625-L627 VanDerWaalsContact C-N 3.33Å; V625-L627 PolarHBondContact O-N 3.43Å; V625-G629 WeakPolarHBondContact O-CA 3.2Å; V625-G629 PolarHBondContact O-N 3.19Å
626A97.7Very high92.6Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-68-29.9-179.800000113.5I62 R622 L623 W624 I705 V706 M709 I763I62-A626 HydrophobicContact CD1-CB 4.29Å; R622-A626 WeakPolarHBondContact O-CB 3.34Å; R622-A626 PolarHBondContact O-N 2.91Å; L623-A626 PolarHBondContact O-N 3.47Å; W624-A626 VanDerWaalsContact C-N 3.28Å; W624-A626 PolarHBondContact O-N 3.31Å; A626-I705 HydrophobicContact CB-CG2 4.09Å; A626-V706 WeakPolarHBondContact O-CA 3.4Å; A626-V706 WeakPolarHBondContact O-CG2 3.46Å; A626-M709 HydrophobicContact CB-CB 4.03Å; A626-M709 HydrophobicContact CB-CG 3.96Å; A626-I763 HydrophobicContact CB-CG2 3.38Å
627L96.7Very high92.7Very high21 Ų2122 Ų2211%0.1111%0.113CC..Hα-helixtrans-88.5-23.1-179.8-71.2173.3000114.1L623 W624 V625 V645 M709L623-L627 HydrophobicContact CD1-CD1 3.87Å; L623-L627 HydrophobicContact CD1-CG 3.98Å; L623-L627 HydrophobicContact CG-CD1 3.9Å; L623-L627 HydrophobicContact CG-CG 4.41Å; L623-L627 WeakPolarHBondContact O-CB 3.49Å; L623-L627 VanDerWaalsContact O-CG 3.31Å; L623-L627 WeakPolarHBondContact O-CG 3.47Å; L623-L627 PolarHBondContact O-N 2.76Å; W624-L627 PolarHBondContact O-N 2.95Å; V625-L627 VanDerWaalsContact C-N 3.33Å; V625-L627 PolarHBondContact O-N 3.43Å; L627-V645 HydrophobicContact CD1-CG2 4.27Å; L627-M709 HydrophobicContact CD2-CB 4.21Å; L627-M709 HydrophobicContact CD2-CG 3.74Å; L627-M709 HydrophobicContact CG-CG 4.12Å
628Y95.1Very high92.6Very high33 Ų3322 Ų2213%0.12911%0.113CC..Hα-helixtrans-129.8-18.6-171.7-60.4-81.4000114.7W624 P636 V645W624-Y628 AromaticContact CD1-CD2 3.43Å; W624-Y628 VanDerWaalsContact CD1-CD2 3.43Å; W624-Y628 AromaticContact CD1-CE2 3.91Å; W624-Y628 HydrophobicContact CG-CD2 4.21Å; W624-Y628 AromaticContact NE1-CD2 3.81Å; W624-Y628 VanDerWaalsContact O-CD2 3.32Å; W624-Y628 WeakPolarHBondContact O-CD2 3.27Å; W624-Y628 PolarHBondContact O-N 2.86Å; Y628-P636 HydrophobicContact CD1-CG 3.94Å; Y628-P636 HydrophobicContact CE1-CG 4.38Å; Y628-V645 HydrophobicContact CE2-CG2 4.16Å
629G91.4Very high92.5Very high0 Ų024.6 Ų24.60%012%0.124CC..SBendtrans-81.1-22.8-163.400000115.8V625V625-G629 WeakPolarHBondContact O-CA 3.2Å; V625-G629 PolarHBondContact O-N 3.19Å
630S84.4Confident92.3Very high5 Ų528.1 Ų28.14%0.03515%0.149CC..SBendtrans-105163.5176.473.90000112.5R632 V706S630-R632 PolarHBondContact O-N 3Å; S630-V706 WeakPolarHBondContact OG-CG2 3.48Å; S630-V706 PolarHBondContact OG-N 2.77Å; S630-V706 VanDerWaalsContact OG-N 3.17Å
631D78.5Confident92.2Very high80 Ų8028.2 Ų28.243%0.42815%0.149SC..SBendtrans65.73.6167.6-47.2-53.7000117.1
632R80.9Confident92.1Very high114 Ų11428.4 Ų28.443%0.4315%0.15SC..  trans-122.9143.9179-58.8-178.8-174.4-167.53.9110.7G579 S630 N634G579-R632 WeakPolarHBondContact CA-O 3.37Å; G579-R632 PolarHBondContact N-O 2.8Å; G579-R632 VanDerWaalsContact N-O 3.12Å; S630-R632 PolarHBondContact O-N 3Å; R632-N634 VanDerWaalsContact C-N 3.34Å; R632-N634 WeakPolarHBondContact CB-O 3.26Å
633T83.8Confident91.9Very high80 Ų8030.8 Ų30.849%0.49117%0.171SC..SBendtrans-72.5-30.3169.149.70000112.1G579 F580G579-T633 CarbonylContact C-O 3.52Å; G579-T633 WeakPolarHBondContact CA-O 3.39Å; F580-T633 PolarHBondContact N-O 2.72Å
634N90.2Very high91.8Very high77 Ų7734 Ų3441%0.41219%0.19SC..EExtended strand (participates in β ladder)trans-120.7124.3179.8-61.4-25.6000110.1Q582 R632Q582-N634 PolarHBondContact NE2-OD1 3.48Å; Q582-N634 PolarHBondContact OE1-ND2 3.3Å; Q582-N634 PolarHBondContact OE1-OD1 2.86Å; R632-N634 VanDerWaalsContact C-N 3.34Å; R632-N634 WeakPolarHBondContact CB-O 3.26Å
635I94Very high91.7Very high0 Ų034 Ų340%019%0.19CC..EExtended strand (participates in β ladder)trans-108.4103.8-178.9-56.3169.6000107.5V55 G579 F580 V581 Q582 W624V55-I635 HydrophobicContact CG1-CD1 3.75Å; V55-I635 HydrophobicContact CG2-CD1 4.24Å; G579-I635 WeakPolarHBondContact O-CD1 2.99Å; F580-I635 PolarHBondContact O-N 2.75Å; V581-I635 VanDerWaalsContact CA-O 3.3Å; V581-I635 WeakPolarHBondContact CA-O 3.49Å; V581-I635 HydrophobicContact CG2-CB 4.25Å; V581-I635 HydrophobicContact CG2-CD1 4.48Å; V581-I635 HydrophobicContact CG2-CG2 4.33Å; Q582-I635 PolarHBondContact N-O 3.18Å; W624-I635 HydrophobicContact CH2-CG2 4Å; W624-I635 HydrophobicContact CZ2-CG2 3.67Å
636P92.8Very high91.6Very high40 Ų4039.5 Ų39.526%0.2621%0.211SC..EExtended strand (participates in β ladder)trans-73135.5-176.629-34000111.4W624 Y628W624-P636 PolarHBondContact NE1-O 2.94Å; W624-P636 VanDerWaalsContact NE1-O 3.15Å; Y628-P636 HydrophobicContact CD1-CG 3.94Å; Y628-P636 HydrophobicContact CE1-CG 4.38Å
637V93.5Very high91.5Very high3 Ų342.2 Ų42.22%0.01823%0.23CC..EExtended strand (participates in β ladder)trans-129.4127168.871.30000110.8V581 Q582 M589 V597 F602 W624V581-V637 HydrophobicContact CG1-CB 3.88Å; V581-V637 HydrophobicContact CG1-CG1 3.45Å; V581-V637 VanDerWaalsContact CG1-CG1 3.45Å; Q582-V637 PolarHBondContact O-N 3.26Å; M589-V637 HydrophobicContact SD-CG1 3.68Å; V597-V637 HydrophobicContact CB-CG1 4.2Å; V597-V637 HydrophobicContact CB-CG2 4.01Å; V597-V637 HydrophobicContact CG1-CG2 3.98Å; V597-V637 HydrophobicContact CG2-CG1 4.12Å; V597-V637 HydrophobicContact CG2-CG2 4.2Å; F602-V637 HydrophobicContact CE2-CG2 4.21Å; F602-V637 HydrophobicContact CZ-CG2 4.27Å; W624-V637 HydrophobicContact CZ2-CB 3.79Å; W624-V637 HydrophobicContact CZ2-CG2 4Å
638G91.5Very high91.5Very high0 Ų041.9 Ų41.90%023%0.229CC..SBendtrans176.8-166.617400000112.3E584 S640 S641 I642E584-G638 WeakPolarHBondContact OE1-CA 2.86Å; G638-S640 VanDerWaalsContact C-N 3.34Å; G638-S640 PolarHBondContact O-N 2.93Å; G638-S641 PolarHBondContact N-OG 3.49Å; G638-S641 PolarHBondContact O-N 2.82Å; G638-S641 PolarHBondContact O-OG 3.4Å; G638-I642 WeakPolarHBondContact O-CB 3.39Å; G638-I642 VanDerWaalsContact O-CD1 3.31Å; G638-I642 WeakPolarHBondContact O-CD1 3.17Å; G638-I642 WeakPolarHBondContact O-CG1 3.35Å; G638-I642 PolarHBondContact O-N 2.78Å
639E91.3Very high91.5Very high63 Ų6340.6 Ų40.629%0.29422%0.224SC..Hα-helixtrans-55-46.5-179.2-171.7-157.8168.500112.5E584 K611 I642 A643E584-E639 PolarHBondContact OE1-N 2.67Å; K611-E639 HydrophobicContact CD-CG 4.15Å; K611-E639 WeakPolarHBondContact CD-OE1 3.38Å; K611-E639 WeakPolarHBondContact CD-OE2 3.46Å; K611-E639 WeakPolarHBondContact CE-OE1 3.18Å; K611-E639 WeakPolarHBondContact CE-OE2 3.5Å; K611-E639 IonicContact NZ-OE1 2.71Å; K611-E639 PolarHBondContact NZ-OE1 3.45Å; K611-E639 IonicContact NZ-OE2 3.4Å; K611-E639 PolarHBondContact NZ-OE2 2.88Å; E639-I642 PolarHBondContact O-N 3.03Å; E639-A643 VanDerWaalsContact O-CB 3.24Å; E639-A643 WeakPolarHBondContact O-CB 3.28Å; E639-A643 PolarHBondContact O-N 3.28Å
640S92.1Very high91.7Very high74 Ų7444.6 Ų44.652%0.51724%0.244SC..Hα-helixtrans-65.5-44.2-174.978.30000112E584 G638 I642 A643 T644E584-S640 WeakPolarHBondContact OE1-CB 3.44Å; E584-S640 PolarHBondContact OE1-N 3.13Å; E584-S640 PolarHBondContact OE1-OG 3.4Å; G638-S640 VanDerWaalsContact C-N 3.34Å; G638-S640 PolarHBondContact O-N 2.93Å; S640-I642 VanDerWaalsContact C-N 3.34Å; S640-A643 PolarHBondContact O-N 3.16Å; S640-T644 WeakPolarHBondContact O-CB 3.37Å; S640-T644 PolarHBondContact O-N 3.07Å; S640-T644 PolarHBondContact O-OG1 3.41Å
641S93.8Very high92.2Very high2 Ų248 Ų481%0.01426%0.26CS..Hα-helixtrans-66.3-40.4177.962.70000110.5G638 T644 V645G638-S641 PolarHBondContact N-OG 3.49Å; G638-S641 PolarHBondContact O-N 2.82Å; G638-S641 PolarHBondContact O-OG 3.4Å; S641-T644 PolarHBondContact O-N 2.88Å; S641-V645 WeakPolarHBondContact O-CG2 3.18Å; S641-V645 PolarHBondContact O-N 3.24Å
642I94.5Very high93.2Very high4 Ų444.2 Ų44.22%0.02124%0.24CC..Hα-helixtrans-70.4-40.4179.8-64.7166.5000111.2V601 F602 V608 I613 L616 G638 E639 S640 T644 V645 R646V601-I642 HydrophobicContact CG1-CD1 4.47Å; F602-I642 HydrophobicContact CE1-CD1 4.49Å; F602-I642 HydrophobicContact CE1-CG1 3.7Å; F602-I642 HydrophobicContact CE2-CD1 4.28Å; F602-I642 HydrophobicContact CE2-CG1 4.27Å; F602-I642 HydrophobicContact CZ-CD1 4.05Å; F602-I642 HydrophobicContact CZ-CG1 3.55Å; V608-I642 HydrophobicContact CG2-CD1 4.36Å; I613-I642 HydrophobicContact CD1-CB 4.09Å; I613-I642 HydrophobicContact CD1-CD1 3.44Å; I613-I642 VanDerWaalsContact CD1-CD1 3.44Å; I613-I642 HydrophobicContact CD1-CG1 4.35Å; I613-I642 HydrophobicContact CD1-CG2 3.92Å; I613-I642 HydrophobicContact CG2-CG2 3.6Å; L616-I642 HydrophobicContact CD1-CG2 3.68Å; G638-I642 WeakPolarHBondContact O-CB 3.39Å; G638-I642 VanDerWaalsContact O-CD1 3.31Å; G638-I642 WeakPolarHBondContact O-CD1 3.17Å; G638-I642 WeakPolarHBondContact O-CG1 3.35Å; G638-I642 PolarHBondContact O-N 2.78Å; E639-I642 PolarHBondContact O-N 3.03Å; S640-I642 VanDerWaalsContact C-N 3.34Å; I642-T644 VanDerWaalsContact C-N 3.33Å; I642-T644 PolarHBondContact O-N 2.96Å; I642-V645 PolarHBondContact O-N 2.8Å; I642-R646 WeakPolarHBondContact O-CB 3.48Å; I642-R646 PolarHBondContact O-N 3.14Å
643A93.7Very high93.8Very high51 Ų5142 Ų4242%0.42123%0.231SC..Hα-helixtrans-62.5-40.7175.300000111.6E639 S640 R646 S647E639-A643 VanDerWaalsContact O-CB 3.24Å; E639-A643 WeakPolarHBondContact O-CB 3.28Å; E639-A643 PolarHBondContact O-N 3.28Å; S640-A643 PolarHBondContact O-N 3.16Å; A643-R646 PolarHBondContact O-N 3.21Å; A643-S647 PolarHBondContact O-N 2.89Å
644T95.7Very high94.4Very high66 Ų6641.5 Ų41.541%0.40523%0.231SC..Hα-helixtrans-60.8-49.5174.5-58.10000110.8S640 S641 I642 R646 S647 T648S640-T644 WeakPolarHBondContact O-CB 3.37Å; S640-T644 PolarHBondContact O-N 3.07Å; S640-T644 PolarHBondContact O-OG1 3.41Å; S641-T644 PolarHBondContact O-N 2.88Å; I642-T644 VanDerWaalsContact C-N 3.33Å; I642-T644 PolarHBondContact O-N 2.96Å; T644-R646 VanDerWaalsContact C-N 3.33Å; T644-R646 PolarHBondContact O-N 3.09Å; T644-S647 PolarHBondContact O-N 3.01Å; T644-T648 PolarHBondContact O-N 2.85Å; T644-T648 PolarHBondContact O-OG1 2.85Å; T644-T648 VanDerWaalsContact O-OG1 3.05Å
645V96.6Very high94.7Very high0 Ų038.3 Ų38.30%021%0.214CC..Hα-helixtrans-58.1-45.3177.5167.60000111.3L616 G620 L623 W624 L627 Y628 S641 I642 S647 T648 L649L616-V645 HydrophobicContact CD1-CG1 4.04Å; G620-V645 VanDerWaalsContact O-CG1 3.25Å; G620-V645 WeakPolarHBondContact O-CG1 3.26Å; L623-V645 HydrophobicContact CB-CG1 4.13Å; L623-V645 HydrophobicContact CD2-CG1 4.08Å; L623-V645 HydrophobicContact CG-CG1 4.18Å; W624-V645 HydrophobicContact CB-CG2 3.79Å; W624-V645 HydrophobicContact CG-CG2 4.46Å; L627-V645 HydrophobicContact CD1-CG2 4.27Å; Y628-V645 HydrophobicContact CE2-CG2 4.16Å; S641-V645 WeakPolarHBondContact O-CG2 3.18Å; S641-V645 PolarHBondContact O-N 3.24Å; I642-V645 PolarHBondContact O-N 2.8Å; V645-S647 PolarHBondContact O-N 3.24Å; V645-T648 PolarHBondContact O-N 2.92Å; V645-L649 WeakPolarHBondContact O-CB 3.44Å; V645-L649 PolarHBondContact O-N 3.03Å
646R94.6Very high94.8Very high116 Ų11638.5 Ų38.544%0.43822%0.215SC..Hα-helixtrans-59.2-48.6176.8-177.7178.8-179.5-167.81.2111.8L616 I642 A643 T644 T648 L649 I650L616-R646 HydrophobicContact CD1-CB 4.35Å; L616-R646 HydrophobicContact CD2-CB 3.64Å; L616-R646 HydrophobicContact CD2-CG 3.61Å; I642-R646 WeakPolarHBondContact O-CB 3.48Å; I642-R646 PolarHBondContact O-N 3.14Å; A643-R646 PolarHBondContact O-N 3.21Å; T644-R646 VanDerWaalsContact C-N 3.33Å; T644-R646 PolarHBondContact O-N 3.09Å; R646-T648 VanDerWaalsContact C-N 3.35Å; R646-L649 PolarHBondContact O-N 3.21Å; R646-I650 HydrophobicContact CG-CD1 3.86Å; R646-I650 VanDerWaalsContact O-CG1 3.29Å; R646-I650 WeakPolarHBondContact O-CG1 3.45Å; R646-I650 PolarHBondContact O-N 3.15Å
647S95.7Very high94.9Very high58 Ų5846.5 Ų46.541%0.40624%0.24SC..Hα-helixtrans-59.2-47.9179-175.10000110.9A643 T644 V645 L649 I650 Q651A643-S647 PolarHBondContact O-N 2.89Å; T644-S647 PolarHBondContact O-N 3.01Å; V645-S647 PolarHBondContact O-N 3.24Å; S647-L649 PolarHBondContact O-N 2.8Å; S647-I650 PolarHBondContact O-N 3.1Å; S647-Q651 WeakPolarHBondContact O-CB 3.49Å; S647-Q651 VanDerWaalsContact O-CG 3.26Å; S647-Q651 WeakPolarHBondContact O-CG 3.49Å; S647-Q651 PolarHBondContact O-N 2.68Å
648T97.5Very high95Very high13 Ų1349.2 Ų49.28%0.0825%0.252CS..Hα-helixtrans-60.3-46178.6-59.60000111.9L623 T644 V645 R646 I650 Q651 I652 V713L623-T648 HydrophobicContact CD2-CG2 3.96Å; T644-T648 PolarHBondContact O-N 2.85Å; T644-T648 PolarHBondContact O-OG1 2.85Å; T644-T648 VanDerWaalsContact O-OG1 3.05Å; V645-T648 PolarHBondContact O-N 2.92Å; R646-T648 VanDerWaalsContact C-N 3.35Å; T648-I650 PolarHBondContact O-N 3.09Å; T648-Q651 PolarHBondContact O-N 3.33Å; T648-I652 HydrophobicContact CG2-CD1 3.92Å; T648-I652 HydrophobicContact CG2-CG1 4.46Å; T648-I652 VanDerWaalsContact O-CG1 3.32Å; T648-I652 WeakPolarHBondContact O-CG1 3.37Å; T648-I652 PolarHBondContact O-N 2.74Å; T648-V713 HydrophobicContact CG2-CB 4.43Å; T648-V713 HydrophobicContact CG2-CG1 4.01Å; T648-V713 HydrophobicContact CG2-CG2 3.47Å; T648-V713 VanDerWaalsContact CG2-CG2 3.47Å
649L95.4Very high95.2Very high6 Ų649.2 Ų49.23%0.03125%0.252CS..Hα-helixtrans-64.5-40.4-179.9-169.166.9000112L623 V645 R646 S647 Q651 R653 L767L623-L649 HydrophobicContact CD2-CB 4.07Å; L623-L649 HydrophobicContact CD2-CD1 4.34Å; V645-L649 WeakPolarHBondContact O-CB 3.44Å; V645-L649 PolarHBondContact O-N 3.03Å; R646-L649 PolarHBondContact O-N 3.21Å; S647-L649 PolarHBondContact O-N 2.8Å; L649-Q651 VanDerWaalsContact C-N 3.35Å; L649-R653 WeakPolarHBondContact O-CB 3.31Å; L649-R653 PolarHBondContact O-N 2.76Å; L649-L767 HydrophobicContact CD1-CD2 4Å
650I94.8Very high95.3Very high84 Ų8447.8 Ų47.843%0.43125%0.249SC..Hα-helixtrans-63.2-42.9175.1-70.4169.2000110.6R646 S647 T648 S654R646-I650 HydrophobicContact CG-CD1 3.86Å; R646-I650 VanDerWaalsContact O-CG1 3.29Å; R646-I650 WeakPolarHBondContact O-CG1 3.45Å; R646-I650 PolarHBondContact O-N 3.15Å; S647-I650 PolarHBondContact O-N 3.1Å; T648-I650 PolarHBondContact O-N 3.09Å; I650-S654 VanDerWaalsContact O-CB 3.29Å; I650-S654 WeakPolarHBondContact O-CB 3.49Å; I650-S654 PolarHBondContact O-N 3.48Å; I650-S654 PolarHBondContact O-OG 2.68Å
651Q96.2Very high95.3Very high78 Ų7846.3 Ų46.336%0.36425%0.245SC..Hα-helixtrans-61.5-52.9178-74.6170.4-10.300111.2S647 T648 L649 R653 S654 V655 N717S647-Q651 WeakPolarHBondContact O-CB 3.49Å; S647-Q651 VanDerWaalsContact O-CG 3.26Å; S647-Q651 WeakPolarHBondContact O-CG 3.49Å; S647-Q651 PolarHBondContact O-N 2.68Å; T648-Q651 PolarHBondContact O-N 3.33Å; L649-Q651 VanDerWaalsContact C-N 3.35Å; Q651-R653 VanDerWaalsContact C-N 3.34Å; Q651-R653 PolarHBondContact O-N 2.85Å; Q651-S654 PolarHBondContact O-N 3.41Å; Q651-S654 VanDerWaalsContact O-N 3.1Å; Q651-V655 WeakPolarHBondContact O-CG2 3.4Å; Q651-V655 PolarHBondContact O-N 3.43Å; Q651-N717 PolarHBondContact OE1-ND2 3.39Å
652I97.5Very high95.3Very high0 Ų046.6 Ų46.60%025%0.247CC..Hα-helixtrans-55-51.2178.4-63.9168000110.1T648 S654 V655 L656 M709 I716 Y756 L764 L767T648-I652 HydrophobicContact CG2-CD1 3.92Å; T648-I652 HydrophobicContact CG2-CG1 4.46Å; T648-I652 VanDerWaalsContact O-CG1 3.32Å; T648-I652 WeakPolarHBondContact O-CG1 3.37Å; T648-I652 PolarHBondContact O-N 2.74Å; I652-S654 VanDerWaalsContact C-N 3.3Å; I652-S654 PolarHBondContact O-N 3.3Å; I652-V655 PolarHBondContact O-N 2.95Å; I652-L656 HydrophobicContact CG2-CD1 3.99Å; I652-L656 HydrophobicContact CG2-CG 4.33Å; I652-L656 WeakPolarHBondContact O-CG 3.37Å; I652-L656 PolarHBondContact O-N 3.49Å; I652-M709 HydrophobicContact CD1-CE 4.03Å; I652-I716 HydrophobicContact CG1-CG2 4.12Å; I652-Y756 HydrophobicContact CG2-CE1 3.98Å; I652-L764 HydrophobicContact CD1-CD1 4.22Å; I652-L767 HydrophobicContact CB-CD2 4.48Å; I652-L767 HydrophobicContact CG2-CD2 3.76Å
653R94.7Very high95.2Very high67 Ų6747.3 Ų47.325%0.25325%0.25SS..Hα-helixtrans-61.6-37.6-179.9-174.5179.3-77112.57.4112.2L649 Q651 L656 R657 L767 E770L649-R653 WeakPolarHBondContact O-CB 3.31Å; L649-R653 PolarHBondContact O-N 2.76Å; Q651-R653 VanDerWaalsContact C-N 3.34Å; Q651-R653 PolarHBondContact O-N 2.85Å; R653-L656 PolarHBondContact O-N 3.33Å; R653-R657 VanDerWaalsContact O-CB 3.3Å; R653-R657 WeakPolarHBondContact O-CB 3.44Å; R653-R657 PolarHBondContact O-N 3.08Å; R653-L767 HydrophobicContact CB-CD1 4.37Å; R653-L767 HydrophobicContact CG-CD1 4.44Å; R653-E770 IonicContact CZ-OE1 3.77Å; R653-E770 IonicContact CZ-OE2 2.72Å; R653-E770 IonicContact NE-OE1 3.58Å; R653-E770 PolarHBondContact NE-OE1 3.21Å; R653-E770 IonicContact NE-OE2 3.85Å; R653-E770 IonicContact NH2-OE1 3.06Å; R653-E770 IonicContact NH2-OE2 3.84Å; R653-E770 PolarHBondContact NH2-OE2 3.24Å
654S95.6Very high95.1Very high69 Ų6951.5 Ų51.548%0.48326%0.261SS..Hα-helixtrans-65.4-41.7179.2-60.80000111.7I650 Q651 I652 F658I650-S654 VanDerWaalsContact O-CB 3.29Å; I650-S654 WeakPolarHBondContact O-CB 3.49Å; I650-S654 PolarHBondContact O-N 3.48Å; I650-S654 PolarHBondContact O-OG 2.68Å; Q651-S654 PolarHBondContact O-N 3.41Å; Q651-S654 VanDerWaalsContact O-N 3.1Å; I652-S654 VanDerWaalsContact C-N 3.3Å; I652-S654 PolarHBondContact O-N 3.3Å; S654-F658 PolarHBondContact O-N 3.34Å
655V96.9Very high94.9Very high10 Ų1050.2 Ų50.26%0.06125%0.252CS..Hα-helixtrans-66.4-48.2175.2-1780000110.1Q651 I652 R657 F658 L659 I716 V720Q651-V655 WeakPolarHBondContact O-CG2 3.4Å; Q651-V655 PolarHBondContact O-N 3.43Å; I652-V655 PolarHBondContact O-N 2.95Å; V655-R657 VanDerWaalsContact C-N 3.31Å; V655-R657 PolarHBondContact O-N 3.15Å; V655-F658 WeakPolarHBondContact O-CB 3.26Å; V655-F658 PolarHBondContact O-N 3.21Å; V655-F658 VanDerWaalsContact O-N 3.07Å; V655-L659 HydrophobicContact CG1-CD1 4.12Å; V655-L659 HydrophobicContact CG1-CG 4.27Å; V655-L659 VanDerWaalsContact O-CG 3.31Å; V655-L659 WeakPolarHBondContact O-CG 3.41Å; V655-L659 PolarHBondContact O-N 3.34Å; V655-I716 HydrophobicContact CB-CD1 4.24Å; V655-I716 HydrophobicContact CB-CG1 3.97Å; V655-I716 HydrophobicContact CG1-CD1 3.6Å; V655-I716 HydrophobicContact CG1-CG1 3.81Å; V655-I716 HydrophobicContact CG2-CG1 4.35Å; V655-V720 HydrophobicContact CG1-CG1 4.22Å
656L96.3Very high94.7Very high4 Ų451.1 Ų51.12%0.02126%0.256CS..Hα-helixtrans-57.4-42.2176.7-70.3179.9000112.5I652 R653 F658 L659 S660 V753 Y756 V757 L767 Y771I652-L656 HydrophobicContact CG2-CD1 3.99Å; I652-L656 HydrophobicContact CG2-CG 4.33Å; I652-L656 WeakPolarHBondContact O-CG 3.37Å; I652-L656 PolarHBondContact O-N 3.49Å; R653-L656 PolarHBondContact O-N 3.33Å; L656-F658 VanDerWaalsContact C-N 3.35Å; L656-F658 PolarHBondContact O-N 3.5Å; L656-L659 PolarHBondContact O-N 2.85Å; L656-S660 PolarHBondContact O-N 3.24Å; L656-V753 HydrophobicContact CD2-CG2 3.74Å; L656-Y756 HydrophobicContact CD2-CD1 4.11Å; L656-Y756 HydrophobicContact CD2-CE1 4.48Å; L656-V757 HydrophobicContact CD2-CG2 3.87Å; L656-L767 HydrophobicContact CD1-CD1 4.35Å; L656-L767 HydrophobicContact CD1-CD2 4.33Å; L656-L767 HydrophobicContact CD1-CG 4.19Å; L656-Y771 HydrophobicContact CB-CD2 3.88Å; L656-Y771 HydrophobicContact CB-CE2 4.14Å; L656-Y771 HydrophobicContact CD1-CD2 4.44Å; L656-Y771 HydrophobicContact CD2-CD2 4.24Å; L656-Y771 HydrophobicContact CD2-CE2 4.32Å; L656-Y771 HydrophobicContact CG-CD2 4.42Å; L656-Y771 WeakPolarHBondContact O-CE2 3.48Å
657R94.8Very high94.4Very high208 Ų20849.2 Ų49.279%0.78525%0.254SS*.Hα-helixtrans-61.3-42.5175.1-178.2-179.8178.1-175.10.3112R653 V655 G661R653-R657 VanDerWaalsContact O-CB 3.3Å; R653-R657 WeakPolarHBondContact O-CB 3.44Å; R653-R657 PolarHBondContact O-N 3.08Å; V655-R657 VanDerWaalsContact C-N 3.31Å; V655-R657 PolarHBondContact O-N 3.15Å; R657-G661 PolarHBondContact O-N 3.03Å; R657-G661 VanDerWaalsContact O-N 3.12Å
658F95.3Very high94.1Very high60 Ų6048.8 Ų48.826%0.26325%0.25SS..Hα-helixtrans-61.6-46.2174.9173.4-93.3000111.2S654 V655 L656 S660 G661 V662 C725 Y733S654-F658 PolarHBondContact O-N 3.34Å; V655-F658 WeakPolarHBondContact O-CB 3.26Å; V655-F658 PolarHBondContact O-N 3.21Å; V655-F658 VanDerWaalsContact O-N 3.07Å; L656-F658 VanDerWaalsContact C-N 3.35Å; L656-F658 PolarHBondContact O-N 3.5Å; F658-S660 PolarHBondContact O-N 2.86Å; F658-G661 PolarHBondContact O-N 3.44Å; F658-G661 VanDerWaalsContact O-N 3.13Å; F658-V662 HydrophobicContact CD1-CG1 4.41Å; F658-V662 HydrophobicContact CD2-CG1 4.5Å; F658-V662 HydrophobicContact CE1-CG1 3.91Å; F658-V662 HydrophobicContact CE1-CG2 4.42Å; F658-V662 HydrophobicContact CE2-CG1 4.03Å; F658-V662 HydrophobicContact CZ-CG1 3.71Å; F658-V662 PolarHBondContact O-N 3Å; F658-C725 HydrophobicContact CE1-CB 3.87Å; F658-C725 HydrophobicContact CZ-CB 4.5Å; F658-Y733 HydrophobicContact CE2-CE2 4.21Å; F658-Y733 VanDerWaalsContact CE2-OH 3.29Å; F658-Y733 WeakPolarHBondContact CE2-OH 3.47Å; F658-Y733 HydrophobicContact CZ-CE2 4.29Å
659L95.2Very high93.6Very high1 Ų153.2 Ų53.21%0.00528%0.281CS..Hα-helixtrans-60-43.8178.4-65.3179.5000112.3V655 L656 G661 V662 L663 V720 L749 V753V655-L659 HydrophobicContact CG1-CD1 4.12Å; V655-L659 HydrophobicContact CG1-CG 4.27Å; V655-L659 VanDerWaalsContact O-CG 3.31Å; V655-L659 WeakPolarHBondContact O-CG 3.41Å; V655-L659 PolarHBondContact O-N 3.34Å; L656-L659 PolarHBondContact O-N 2.85Å; L659-G661 VanDerWaalsContact C-N 3.33Å; L659-G661 PolarHBondContact O-N 2.76Å; L659-V662 VanDerWaalsContact O-CG2 3.25Å; L659-V662 WeakPolarHBondContact O-CG2 3.22Å; L659-V662 PolarHBondContact O-N 2.99Å; L659-L663 WeakPolarHBondContact O-CB 3.25Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.48Å; L659-L663 PolarHBondContact O-N 3.12Å; L659-L663 VanDerWaalsContact O-N 3.13Å; L659-V720 HydrophobicContact CD1-CG1 4.39Å; L659-L749 HydrophobicContact CD2-CB 4.47Å; L659-L749 HydrophobicContact CD2-CD1 4.35Å; L659-L749 HydrophobicContact CD2-CD2 3.69Å; L659-L749 HydrophobicContact CD2-CG 4.4Å; L659-V753 HydrophobicContact CB-CB 4.45Å; L659-V753 HydrophobicContact CB-CG2 4.14Å; L659-V753 HydrophobicContact CD1-CB 3.94Å; L659-V753 HydrophobicContact CD1-CG2 3.78Å
660S93.6Very high93.3Very high33 Ų3356.5 Ų56.523%0.23131%0.31CS..Hα-helixtrans-59.1-43173.5171.90000111.9L656 F658 L663 H664L656-S660 PolarHBondContact O-N 3.24Å; F658-S660 PolarHBondContact O-N 2.86Å; S660-L663 PolarHBondContact O-N 3.46Å; S660-H664 PolarHBondContact O-N 3.44Å
661G93.8Very high93.2Very high42 Ų4254.2 Ų54.243%0.43330%0.298SS..Hα-helixtrans-65.1-39.7178.600000114R657 F658 L659 L663 H664R657-G661 PolarHBondContact O-N 3.03Å; R657-G661 VanDerWaalsContact O-N 3.12Å; F658-G661 PolarHBondContact O-N 3.44Å; F658-G661 VanDerWaalsContact O-N 3.13Å; L659-G661 VanDerWaalsContact C-N 3.33Å; L659-G661 PolarHBondContact O-N 2.76Å; G661-L663 VanDerWaalsContact C-N 3.29Å; G661-L663 PolarHBondContact O-N 3.32Å; G661-H664 PolarHBondContact O-ND1 3.09Å
662V93.2Very high93Very high9 Ų955.2 Ų55.26%0.05530%0.303CS..Hα-helixtrans-77.2-15.6179-59.20000113.3F658 L659 L732 Y733 Q746 L749F658-V662 HydrophobicContact CD1-CG1 4.41Å; F658-V662 HydrophobicContact CD2-CG1 4.5Å; F658-V662 HydrophobicContact CE1-CG1 3.91Å; F658-V662 HydrophobicContact CE1-CG2 4.42Å; F658-V662 HydrophobicContact CE2-CG1 4.03Å; F658-V662 HydrophobicContact CZ-CG1 3.71Å; F658-V662 PolarHBondContact O-N 3Å; L659-V662 VanDerWaalsContact O-CG2 3.25Å; L659-V662 WeakPolarHBondContact O-CG2 3.22Å; L659-V662 PolarHBondContact O-N 2.99Å; V662-L732 HydrophobicContact CB-CD1 4.26Å; V662-L732 HydrophobicContact CG1-CD1 4.14Å; V662-Y733 HydrophobicContact CG1-CE2 4.31Å; V662-Q746 PolarHBondContact O-NE2 2.92Å; V662-L749 HydrophobicContact CG2-CD1 3.77Å
663L93.3Very high92.6Very high18 Ų1855.9 Ų55.99%0.09431%0.307CS..THydrogen-bonded Turntrans-102.83178.3-65.6172.6000113.9L659 S660 G661 D665 F666 Q746 L749 H750 V753L659-L663 WeakPolarHBondContact O-CB 3.25Å; L659-L663 VanDerWaalsContact O-CG 3.29Å; L659-L663 WeakPolarHBondContact O-CG 3.48Å; L659-L663 PolarHBondContact O-N 3.12Å; L659-L663 VanDerWaalsContact O-N 3.13Å; S660-L663 PolarHBondContact O-N 3.46Å; G661-L663 VanDerWaalsContact C-N 3.29Å; G661-L663 PolarHBondContact O-N 3.32Å; L663-D665 PolarHBondContact O-N 2.87Å; L663-F666 HydrophobicContact CB-CB 4.5Å; L663-F666 HydrophobicContact CD2-CB 4.09Å; L663-F666 HydrophobicContact CD2-CD1 4.18Å; L663-F666 HydrophobicContact CD2-CG 4.18Å; L663-F666 PolarHBondContact O-N 3.03Å; L663-Q746 HydrophobicContact CD2-CB 3.96Å; L663-Q746 HydrophobicContact CD2-CG 4.29Å; L663-Q746 WeakPolarHBondContact CD2-O 3.38Å; L663-L749 HydrophobicContact CD2-CB 4.28Å; L663-H750 HydrophobicContact CD1-CB 4.33Å; L663-H750 HydrophobicContact CD2-CB 4.14Å; L663-V753 HydrophobicContact CD1-CG1 3.75Å
664H91Very high92.3Very high140 Ų14055.3 Ų55.365%0.64831%0.313SS*.THydrogen-bonded Turntrans-58.4-24.2-174.278.7-77.7000115.2S660 G661S660-H664 PolarHBondContact O-N 3.44Å; G661-H664 PolarHBondContact O-ND1 3.09Å
665D90.7Very high91.7Very high38 Ų3853.8 Ų53.820%0.20330%0.299CS..THydrogen-bonded Turntrans-118.622.7179.872.2-27.8000112.6L663 R742 R743 Q746L663-D665 PolarHBondContact O-N 2.87Å; D665-R742 IonicContact OD1-CZ 3.52Å; D665-R742 IonicContact OD1-NH1 2.81Å; D665-R742 PolarHBondContact OD1-NH1 3.44Å; D665-R742 IonicContact OD1-NH2 2.75Å; D665-R742 PolarHBondContact OD1-NH2 2.89Å; D665-R742 IonicContact OD2-CZ 3.31Å; D665-R742 VanDerWaalsContact OD2-CZ 3.31Å; D665-R742 IonicContact OD2-NH1 3.41Å; D665-R742 PolarHBondContact OD2-NH1 3.03Å; D665-R742 IonicContact OD2-NH2 2.94Å; D665-R742 PolarHBondContact OD2-NH2 3.44Å; D665-R743 PolarHBondContact O-NH1 3.45Å; D665-R743 PolarHBondContact O-NH2 3.16Å; D665-Q746 PolarHBondContact OD1-NE2 3.06Å
666F92Very high91.1Very high19 Ų1959.9 Ų59.98%0.08333%0.331CS..  trans-104.7118.2177.2-176.2-100000110L663 P668 D671 Q746 H750L663-F666 HydrophobicContact CB-CB 4.5Å; L663-F666 HydrophobicContact CD2-CB 4.09Å; L663-F666 HydrophobicContact CD2-CD1 4.18Å; L663-F666 HydrophobicContact CD2-CG 4.18Å; L663-F666 PolarHBondContact O-N 3.03Å; F666-P668 HydrophobicContact CD1-CG 4.22Å; F666-P668 HydrophobicContact CE1-CB 4.27Å; F666-P668 HydrophobicContact CE1-CG 4.03Å; F666-D671 HydrophobicContact CD2-CB 3.54Å; F666-D671 HydrophobicContact CE2-CB 3.46Å; F666-D671 VanDerWaalsContact CE2-CB 3.46Å; F666-D671 WeakPolarHBondContact CE2-O 3.4Å; F666-D671 HydrophobicContact CG-CB 4.41Å; F666-D671 HydrophobicContact CZ-CB 4.24Å; F666-Q746 HydrophobicContact CB-CB 4.38Å; F666-Q746 HydrophobicContact CD2-CB 3.38Å; F666-Q746 HydrophobicContact CD2-CG 4.27Å; F666-Q746 HydrophobicContact CE2-CB 3.72Å; F666-Q746 HydrophobicContact CG-CB 3.92Å; F666-H750 HydrophobicContact CD1-CB 4.04Å; F666-H750 HydrophobicContact CE1-CB 3.68Å; F666-H750 AromaticContact CE1-CG 3.81Å
667D90.1Very high90.7Very high76 Ų7664.7 Ų64.741%0.40635%0.353SS..  trans-103.2111.7170.5-179-12000109.5S669 A670 D671D667-S669 PolarHBondContact O-N 2.82Å; D667-S669 WeakPolarHBondContact OD1-CB 3.22Å; D667-S669 PolarHBondContact OD1-N 3.24Å; D667-S669 PolarHBondContact OD1-OG 3.05Å; D667-S669 PolarHBondContact OD2-OG 3.44Å; D667-A670 HydrophobicContact CB-CB 4.27Å; D667-A670 PolarHBondContact O-N 3.42Å; D667-D671 PolarHBondContact N-OD2 3.06Å; D667-D671 VanDerWaalsContact O-CB 3.31Å; D667-D671 WeakPolarHBondContact O-CB 3.18Å; D667-D671 PolarHBondContact O-N 3.39Å
668P88.1Confident90.5Very high50 Ų5055.1 Ų55.133%0.32532%0.318SS..THydrogen-bonded Turntrans-56.2-24.6179.6-24.634000114.5F666 H672 H750F666-P668 HydrophobicContact CD1-CG 4.22Å; F666-P668 HydrophobicContact CE1-CB 4.27Å; F666-P668 HydrophobicContact CE1-CG 4.03Å; P668-H672 WeakPolarHBondContact O-CB 3.45Å; P668-H750 VanDerWaalsContact CG-NE2 3.27Å; P668-H750 WeakPolarHBondContact CG-NE2 3.34Å
669S88.1Confident90.3Very high105 Ų10552.7 Ų52.773%0.73431%0.308SS*.THydrogen-bonded Turntrans-79.7-25.6179.770.50000113.6D667D667-S669 PolarHBondContact O-N 2.82Å; D667-S669 WeakPolarHBondContact OD1-CB 3.22Å; D667-S669 PolarHBondContact OD1-N 3.24Å; D667-S669 PolarHBondContact OD1-OG 3.05Å; D667-S669 PolarHBondContact OD2-OG 3.44Å
670A89.2Confident90.2Very high76 Ų7652.7 Ų52.763%0.62831%0.308SS*.THydrogen-bonded Turntrans-112.6-32.5-174.600000113.5D667D667-A670 HydrophobicContact CB-CB 4.27Å; D667-A670 PolarHBondContact O-N 3.42Å
671D92.1Very high90.1Very high35 Ų3551.2 Ų51.219%0.18730%0.297CS..SBendtrans-105.9-4.6-168.2-65.8-47.6000113.9F666 D667 C673 R743F666-D671 HydrophobicContact CD2-CB 3.54Å; F666-D671 HydrophobicContact CE2-CB 3.46Å; F666-D671 VanDerWaalsContact CE2-CB 3.46Å; F666-D671 WeakPolarHBondContact CE2-O 3.4Å; F666-D671 HydrophobicContact CG-CB 4.41Å; F666-D671 HydrophobicContact CZ-CB 4.24Å; D667-D671 PolarHBondContact N-OD2 3.06Å; D667-D671 VanDerWaalsContact O-CB 3.31Å; D667-D671 WeakPolarHBondContact O-CB 3.18Å; D667-D671 PolarHBondContact O-N 3.39Å; D671-C673 PolarHBondContact O-N 3.27Å; D671-R743 IonicContact OD1-CZ 3.22Å; D671-R743 IonicContact OD1-NE 3.87Å; D671-R743 PolarHBondContact OD1-NE 3.48Å; D671-R743 VanDerWaalsContact OD1-NE 3.08Å; D671-R743 IonicContact OD1-NH2 2.96Å; D671-R743 PolarHBondContact OD1-NH2 3.1Å; D671-R743 IonicContact OD2-CZ 2.64Å; D671-R743 VanDerWaalsContact OD2-CZ 3.22Å; D671-R743 IonicContact OD2-NE 3.45Å; D671-R743 IonicContact OD2-NH1 2.71Å; D671-R743 PolarHBondContact OD2-NH1 2.76Å; D671-R743 IonicContact OD2-NH2 3.07Å; D671-R743 PolarHBondContact OD2-NH2 3.31Å
672H91Very high90.1Very high99 Ų9949.2 Ų49.246%0.45828%0.277SS..PPolyproline II helixtrans-65.7123-178.2-178.8-71.1000111.7P668P668-H672 WeakPolarHBondContact O-CB 3.45Å
673C89.8Confident90.1Very high14 Ų1450.7 Ų50.710%0.09528%0.282CS..PPolyproline II helixtrans-80.5136.4175.4-69.50000111.5D671 H677 L678 R743 S744 T747D671-C673 PolarHBondContact O-N 3.27Å; C673-H677 HydrophobicContact CB-CB 4.2Å; C673-L678 HydrophobicContact CB-CD2 3.97Å; C673-R743 WeakPolarHBondContact SG-CB 3.18Å; C673-S744 PolarHBondContact SG-N 3.1Å; C673-S744 VanDerWaalsContact SG-N 3.38Å; C673-T747 PolarHBondContact N-OG1 2.85Å
674S87.8Confident90.1Very high55 Ų5551.3 Ų51.339%0.38528%0.283SS..PPolyproline II helixtrans-65.8158.9167.170.90000110.5D676 H677 L678S674-D676 PolarHBondContact O-N 3.29Å; S674-H677 WeakPolarHBondContact O-CB 3.16Å; S674-H677 PolarHBondContact O-N 2.85Å; S674-H677 PolarHBondContact OG-ND1 2.94Å; S674-L678 PolarHBondContact O-N 3.13Å
675H82.8Confident90.2Very high38 Ų3844.6 Ų44.618%0.17625%0.252CS..G310 helixtrans-54.1-39.1-176.7-176.471.6000113.9H677 L678 R683 Y797H675-H677 PolarHBondContact O-N 2.84Å; H675-L678 VanDerWaalsContact O-CB 3.31Å; H675-L678 WeakPolarHBondContact O-CB 3.32Å; H675-L678 PolarHBondContact O-N 3.4Å; H675-R683 WeakPolarHBondContact CE1-CD 3.36Å; H675-R683 VanDerWaalsContact CE1-CG 3.44Å; H675-R683 WeakPolarHBondContact CE1-CG 3.44Å; H675-R683 WeakPolarHBondContact NE2-CD 3.44Å; H675-Y797 VanDerWaalsContact CD2-CB 3.48Å; H675-Y797 WeakPolarHBondContact CD2-CB 3.09Å; H675-Y797 AromaticContact CD2-CD2 3.9Å; H675-Y797 AromaticContact CD2-CG 3.78Å; H675-Y797 AromaticContact CE1-CD2 2.93Å; H675-Y797 WeakPolarHBondContact CE1-CD2 2.95Å; H675-Y797 AromaticContact CE1-CE2 3.51Å; H675-Y797 AromaticContact CE1-CG 3.63Å; H675-Y797 AromaticContact CG-CD2 3.84Å; H675-Y797 AromaticContact CG-CG 3.86Å; H675-Y797 AromaticContact ND1-CD2 3.3Å; H675-Y797 VanDerWaalsContact ND1-CD2 3.3Å; H675-Y797 WeakPolarHBondContact ND1-CD2 3.25Å; H675-Y797 AromaticContact ND1-CE2 3.53Å; H675-Y797 AromaticContact ND1-CG 3.82Å; H675-Y797 WeakPolarHBondContact NE2-CB 3.39Å; H675-Y797 AromaticContact NE2-CD2 3.33Å; H675-Y797 VanDerWaalsContact NE2-CD2 3.33Å; H675-Y797 WeakPolarHBondContact NE2-CD2 2.83Å; H675-Y797 AromaticContact NE2-CG 3.59Å; H675-Y797 PolarHBondContact NE2-O 3.05Å
676D84.4Confident90.3Very high137 Ų13743.6 Ų43.673%0.73325%0.246SC*.G310 helixtrans-65.4-21.9-180-54.5-38.5000113.2S674S674-D676 PolarHBondContact O-N 3.29Å
677H89Confident90.3Very high106 Ų10645.2 Ų45.249%0.49125%0.251SS..G310 helixtrans-92.2-3.2175.3-64.398000112.6C673 S674 H675 V740C673-H677 HydrophobicContact CB-CB 4.2Å; S674-H677 WeakPolarHBondContact O-CB 3.16Å; S674-H677 PolarHBondContact O-N 2.85Å; S674-H677 PolarHBondContact OG-ND1 2.94Å; H675-H677 PolarHBondContact O-N 2.84Å; H677-V740 HydrophobicContact CB-CG1 3.93Å
678L91.2Very high90.4Very high7 Ų744.7 Ų44.74%0.03724%0.244CC..SBendtrans-77132.7175.3-62.6-178.2000110.8C673 S674 H675 D682 R683 S744 T747 V748C673-L678 HydrophobicContact CB-CD2 3.97Å; S674-L678 PolarHBondContact O-N 3.13Å; H675-L678 VanDerWaalsContact O-CB 3.31Å; H675-L678 WeakPolarHBondContact O-CB 3.32Å; H675-L678 PolarHBondContact O-N 3.4Å; L678-D682 HydrophobicContact CB-CB 4.27Å; L678-R683 HydrophobicContact CB-CG 3.66Å; L678-R683 HydrophobicContact CD1-CG 4.49Å; L678-R683 PolarHBondContact O-NH1 2.94Å; L678-S744 WeakPolarHBondContact CA-OG 3.13Å; L678-S744 WeakPolarHBondContact CD2-OG 3.43Å; L678-T747 HydrophobicContact CD2-CG2 4.38Å; L678-V748 HydrophobicContact CD1-CG2 4.38Å; L678-V748 HydrophobicContact CD2-CG2 4.17Å
679S91.1Very high90.8Very high8 Ų842.3 Ų42.36%0.05623%0.228CC..  trans-56.1150.5170.3112.80000111.6V681 D682 R683 R731 S744 E850S679-V681 VanDerWaalsContact C-N 3.31Å; S679-V681 PolarHBondContact O-N 3.2Å; S679-D682 WeakPolarHBondContact O-CA 3.39Å; S679-D682 WeakPolarHBondContact O-CB 3.23Å; S679-D682 PolarHBondContact O-N 3.15Å; S679-D682 WeakPolarHBondContact OG-CB 3.31Å; S679-D682 PolarHBondContact OG-N 3.41Å; S679-D682 VanDerWaalsContact OG-N 3.11Å; S679-D682 PolarHBondContact OG-OD1 3.25Å; S679-R683 WeakPolarHBondContact O-CG 3.38Å; S679-R683 PolarHBondContact O-N 3.03Å; S679-R731 PolarHBondContact OG-NH1 3.19Å; S679-S744 PolarHBondContact N-OG 3.48Å; S679-E850 VanDerWaalsContact C-OE1 3.25Å; S679-E850 WeakPolarHBondContact CA-OE1 3.42Å; S679-E850 WeakPolarHBondContact CB-OE1 3.17Å; S679-E850 PolarHBondContact OG-OE1 3.2Å
680T91.5Very high91.1Very high1 Ų137.5 Ų37.51%0.00620%0.195CC..Hα-helixtrans-58.7-43.7179-58.80000111.3D682 R683 Y684 E802 F806 I845 V846 E850T680-D682 PolarHBondContact O-N 3.16Å; T680-R683 PolarHBondContact O-N 2.94Å; T680-R683 PolarHBondContact OG1-NH2 3.12Å; T680-Y684 WeakPolarHBondContact O-CB 3.25Å; T680-Y684 PolarHBondContact O-N 3.17Å; T680-E802 HydrophobicContact CG2-CG 4.26Å; T680-F806 HydrophobicContact CG2-CD2 3.62Å; T680-F806 HydrophobicContact CG2-CE2 4.09Å; T680-I845 HydrophobicContact CG2-CD1 3.78Å; T680-V846 PolarHBondContact N-O 3.27Å; T680-V846 PolarHBondContact OG1-N 2.8Å; T680-V846 PolarHBondContact OG1-O 3.18Å; T680-E850 WeakPolarHBondContact CB-OE2 3.31Å; T680-E850 PolarHBondContact N-OE1 3.12Å; T680-E850 PolarHBondContact N-OE2 3.43Å
681V92.6Very high91.3Very high2 Ų236.6 Ų36.61%0.01218%0.177CC..Hα-helixtrans-58-36.2173.4171.60000111.8S679 M685 Y724 T727 F806 E850 L854S679-V681 VanDerWaalsContact C-N 3.31Å; S679-V681 PolarHBondContact O-N 3.2Å; V681-M685 PolarHBondContact O-N 2.9Å; V681-Y724 HydrophobicContact CG1-CD2 3.99Å; V681-Y724 HydrophobicContact CG1-CE2 3.96Å; V681-T727 HydrophobicContact CG1-CG2 3.96Å; V681-T727 HydrophobicContact CG2-CG2 4.38Å; V681-F806 HydrophobicContact CB-CE2 4.3Å; V681-F806 HydrophobicContact CB-CZ 4.19Å; V681-F806 HydrophobicContact CG2-CE2 3.68Å; V681-F806 HydrophobicContact CG2-CZ 3.71Å; V681-E850 HydrophobicContact CG2-CB 4.3Å; V681-E850 HydrophobicContact CG2-CG 4.38Å; V681-E850 WeakPolarHBondContact CG2-OE2 3.41Å; V681-E850 PolarHBondContact N-OE2 2.97Å; V681-L854 HydrophobicContact CG2-CD1 4.49Å
682D93.9Very high91.5Very high0 Ų035.5 Ų35.50%017%0.171CC..Hα-helixtrans-73.2-43.6-178.7-71.819.3000110.9L678 S679 T680 Y684 M685 H686 Y724 R731 S744 A745 V748L678-D682 HydrophobicContact CB-CB 4.27Å; S679-D682 WeakPolarHBondContact O-CA 3.39Å; S679-D682 WeakPolarHBondContact O-CB 3.23Å; S679-D682 PolarHBondContact O-N 3.15Å; S679-D682 WeakPolarHBondContact OG-CB 3.31Å; S679-D682 PolarHBondContact OG-N 3.41Å; S679-D682 VanDerWaalsContact OG-N 3.11Å; S679-D682 PolarHBondContact OG-OD1 3.25Å; T680-D682 PolarHBondContact O-N 3.16Å; D682-Y684 VanDerWaalsContact C-N 3.32Å; D682-Y684 PolarHBondContact O-N 3.31Å; D682-M685 PolarHBondContact O-N 3.1Å; D682-M685 VanDerWaalsContact O-N 3.16Å; D682-H686 PolarHBondContact O-N 3.42Å; D682-Y724 PolarHBondContact OD1-OH 3.12Å; D682-R731 IonicContact OD1-CZ 2.83Å; D682-R731 IonicContact OD1-NH1 2.68Å; D682-R731 PolarHBondContact OD1-NH1 2.95Å; D682-R731 IonicContact OD1-NH2 3.48Å; D682-R731 PolarHBondContact OD1-NH2 3.42Å; D682-R731 IonicContact OD2-CZ 3.56Å; D682-R731 IonicContact OD2-NH1 2.74Å; D682-R731 PolarHBondContact OD2-NH1 3.33Å; D682-R731 IonicContact OD2-NH2 3.5Å; D682-R731 PolarHBondContact OD2-NH2 2.96Å; D682-S744 WeakPolarHBondContact OD2-CB 3.45Å; D682-S744 PolarHBondContact OD2-OG 2.88Å; D682-A745 PolarHBondContact OD2-N 3.05Å; D682-V748 HydrophobicContact CB-CG2 3.61Å
683R92.6Very high91.8Very high41 Ų4130.8 Ų30.816%0.15515%0.149CC..Hα-helixtrans-61.5-41.3173.4-65-167.5-70.4-114.99.4111.5H675 L678 S679 T680 M685 H686 R687 Y798 E802H675-R683 WeakPolarHBondContact CE1-CD 3.36Å; H675-R683 VanDerWaalsContact CE1-CG 3.44Å; H675-R683 WeakPolarHBondContact CE1-CG 3.44Å; H675-R683 WeakPolarHBondContact NE2-CD 3.44Å; L678-R683 HydrophobicContact CB-CG 3.66Å; L678-R683 HydrophobicContact CD1-CG 4.49Å; L678-R683 PolarHBondContact O-NH1 2.94Å; S679-R683 WeakPolarHBondContact O-CG 3.38Å; S679-R683 PolarHBondContact O-N 3.03Å; T680-R683 PolarHBondContact O-N 2.94Å; T680-R683 PolarHBondContact OG1-NH2 3.12Å; R683-M685 PolarHBondContact O-N 3.41Å; R683-H686 WeakPolarHBondContact O-CB 3.34Å; R683-H686 PolarHBondContact O-N 3.18Å; R683-R687 PolarHBondContact O-N 2.79Å; R683-Y798 HydrophobicContact CB-CD2 3.66Å; R683-Y798 HydrophobicContact CB-CE2 3.95Å; R683-E802 IonicContact CZ-OE1 3.08Å; R683-E802 IonicContact NE-OE1 3.48Å; R683-E802 PolarHBondContact NE-OE1 2.98Å; R683-E802 IonicContact NE-OE2 3.73Å; R683-E802 IonicContact NH2-OE1 3.17Å; R683-E802 PolarHBondContact NH2-OE1 3.37Å
684Y92.5Very high92.1Very high30 Ų3032.2 Ų32.212%0.11816%0.162CC..Hα-helixtrans-60.9-43.2172.4174.6-99.9000112.1T680 D682 H686 R687 R688 F723 Y798 F806 L810T680-Y684 WeakPolarHBondContact O-CB 3.25Å; T680-Y684 PolarHBondContact O-N 3.17Å; D682-Y684 VanDerWaalsContact C-N 3.32Å; D682-Y684 PolarHBondContact O-N 3.31Å; Y684-H686 VanDerWaalsContact C-N 3.33Å; Y684-H686 PolarHBondContact O-N 3.3Å; Y684-R687 WeakPolarHBondContact O-CB 3.11Å; Y684-R687 PolarHBondContact O-N 3.04Å; Y684-R687 VanDerWaalsContact O-N 3.14Å; Y684-R688 HydrophobicContact CD1-CG 4.08Å; Y684-R688 HydrophobicContact CE1-CG 3.58Å; Y684-R688 HydrophobicContact CE2-CG 4.11Å; Y684-R688 WeakPolarHBondContact O-CG 3.36Å; Y684-R688 PolarHBondContact O-N 3.18Å; Y684-R688 WeakPolarHBondContact OH-CD 3.37Å; Y684-F723 AromaticContact CD1-CE1 3.77Å; Y684-F723 HydrophobicContact CD1-CE1 3.77Å; Y684-F723 HydrophobicContact CD1-CZ 4.08Å; Y684-F723 AromaticContact CE1-CE1 3.66Å; Y684-F723 HydrophobicContact CE1-CE1 3.66Å; Y684-F723 HydrophobicContact CE1-CZ 4.03Å; Y684-Y798 WeakPolarHBondContact CD2-OH 3.43Å; Y684-F806 AromaticContact CD1-CD1 3.73Å; Y684-F806 HydrophobicContact CD1-CD1 3.73Å; Y684-F806 AromaticContact CD1-CE1 3.23Å; Y684-F806 HydrophobicContact CD1-CE1 3.23Å; Y684-F806 HydrophobicContact CD1-CZ 4.04Å; Y684-F806 HydrophobicContact CD2-CB 4.49Å; Y684-F806 AromaticContact CD2-CD1 3.31Å; Y684-F806 HydrophobicContact CD2-CD1 3.31Å; Y684-F806 AromaticContact CD2-CE1 3.78Å; Y684-F806 HydrophobicContact CD2-CE1 3.78Å; Y684-F806 HydrophobicContact CD2-CG 4.08Å; Y684-F806 HydrophobicContact CE1-CD1 4.12Å; Y684-F806 AromaticContact CE1-CE1 3.71Å; Y684-F806 HydrophobicContact CE1-CE1 3.71Å; Y684-F806 AromaticContact CE2-CD1 3.74Å; Y684-F806 HydrophobicContact CE2-CD1 3.74Å; Y684-F806 HydrophobicContact CE2-CE1 4.2Å; Y684-F806 AromaticContact CG-CD1 3.28Å; Y684-F806 HydrophobicContact CG-CD1 3.28Å; Y684-F806 AromaticContact CG-CE1 3.25Å; Y684-F806 HydrophobicContact CG-CE1 3.25Å; Y684-F806 HydrophobicContact CG-CG 4.1Å; Y684-F806 HydrophobicContact CG-CZ 4.06Å; Y684-L810 HydrophobicContact CE1-CD1 3.94Å; Y684-L810 HydrophobicContact CE2-CD1 4.03Å; Y684-L810 VanDerWaalsContact CZ-CD1 3.5Å; Y684-L810 VanDerWaalsContact OH-CD1 3.3Å; Y684-L810 WeakPolarHBondContact OH-CD1 3.49Å
685M93.9Very high92.5Very high0 Ų031.7 Ų31.70%016%0.158CC..Hα-helixtrans-65.8-36177.8-173.166-131.600112.2V681 D682 R683 R688 L689 F715 D719 V720 Y724 V748 V752V681-M685 PolarHBondContact O-N 2.9Å; D682-M685 PolarHBondContact O-N 3.1Å; D682-M685 VanDerWaalsContact O-N 3.16Å; R683-M685 PolarHBondContact O-N 3.41Å; M685-R688 HydrophobicContact CE-CB 4.13Å; M685-R688 PolarHBondContact O-N 2.85Å; M685-L689 PolarHBondContact O-N 3.11Å; M685-F715 HydrophobicContact CE-CE1 4.45Å; M685-F715 HydrophobicContact CE-CE2 3.45Å; M685-F715 VanDerWaalsContact CE-CE2 3.45Å; M685-F715 HydrophobicContact CE-CZ 3.37Å; M685-D719 HydrophobicContact CE-CB 4.2Å; M685-V720 HydrophobicContact CE-CG2 4.02Å; M685-Y724 HydrophobicContact CB-CD1 4.45Å; M685-Y724 HydrophobicContact CB-CD2 3.58Å; M685-Y724 HydrophobicContact CB-CE1 4.47Å; M685-Y724 HydrophobicContact CB-CE2 3.62Å; M685-Y724 HydrophobicContact CB-CG 4.04Å; M685-Y724 HydrophobicContact CG-CD1 3.72Å; M685-Y724 HydrophobicContact CG-CD2 3.67Å; M685-Y724 HydrophobicContact CG-CE1 4Å; M685-Y724 HydrophobicContact CG-CE2 3.97Å; M685-Y724 HydrophobicContact CG-CG 3.55Å; M685-Y724 HydrophobicContact SD-CD1 4.31Å; M685-Y724 HydrophobicContact SD-CD2 4.19Å; M685-Y724 HydrophobicContact SD-CG 3.81Å; M685-V748 HydrophobicContact CB-CG1 3.89Å; M685-V748 HydrophobicContact CG-CG1 3.8Å; M685-V752 HydrophobicContact CE-CG2 4.14Å; M685-V752 HydrophobicContact CG-CG2 4.23Å
686H91.8Very high93.2Very high16 Ų1629.9 Ų29.97%0.07415%0.149CC..Hα-helixtrans-59.1-46.2168.2-88.8-173.3000112.1D682 R683 Y684 R688 L689 S690 V748 N751 T794D682-H686 PolarHBondContact O-N 3.42Å; R683-H686 WeakPolarHBondContact O-CB 3.34Å; R683-H686 PolarHBondContact O-N 3.18Å; Y684-H686 VanDerWaalsContact C-N 3.33Å; Y684-H686 PolarHBondContact O-N 3.3Å; H686-R688 VanDerWaalsContact C-N 3.31Å; H686-R688 PolarHBondContact O-N 3.43Å; H686-L689 WeakPolarHBondContact O-CB 3.44Å; H686-L689 PolarHBondContact O-N 2.68Å; H686-L689 VanDerWaalsContact O-N 3.11Å; H686-S690 PolarHBondContact O-N 2.9Å; H686-S690 PolarHBondContact O-OG 3.34Å; H686-V748 WeakPolarHBondContact NE2-CG2 3.46Å; H686-N751 PolarHBondContact CE1-ND2 2.73Å; H686-N751 VanDerWaalsContact CE1-ND2 3.3Å; H686-N751 PolarHBondContact NE2-ND2 2.92Å; H686-T794 HydrophobicContact CB-CG2 4.37Å
687R92Very high93.7Very high54 Ų5428.9 Ų28.920%0.20414%0.135CC..Hα-helixtrans-56.1-45.8174.8178.467.9177.5100.618.7111.5R683 Y684 L689 S690 E691 T794 Y798 E803R683-R687 PolarHBondContact O-N 2.79Å; Y684-R687 WeakPolarHBondContact O-CB 3.11Å; Y684-R687 PolarHBondContact O-N 3.04Å; Y684-R687 VanDerWaalsContact O-N 3.14Å; R687-L689 VanDerWaalsContact C-N 3.33Å; R687-L689 PolarHBondContact O-N 3.06Å; R687-S690 PolarHBondContact O-N 2.94Å; R687-E691 IonicContact CZ-OE1 2.74Å; R687-E691 IonicContact NE-OE1 3.47Å; R687-E691 IonicContact NH1-OE1 2.81Å; R687-E691 PolarHBondContact NH1-OE1 3.38Å; R687-E691 IonicContact NH2-OE1 3.94Å; R687-E691 PolarHBondContact NH2-OE1 2.81Å; R687-E691 WeakPolarHBondContact O-CG 3.22Å; R687-E691 PolarHBondContact O-N 3.45Å; R687-T794 VanDerWaalsContact CD-OG1 3.28Å; R687-T794 WeakPolarHBondContact CD-OG1 3.32Å; R687-Y798 HydrophobicContact CB-CD1 3.9Å; R687-Y798 HydrophobicContact CB-CE1 4.11Å; R687-Y798 HydrophobicContact CB-CG 4.46Å; R687-Y798 HydrophobicContact CG-CD1 3.86Å; R687-Y798 HydrophobicContact CG-CE1 4.03Å; R687-E803 IonicContact CZ-OE2 2.99Å; R687-E803 IonicContact NE-OE2 2.7Å; R687-E803 PolarHBondContact NE-OE2 2.97Å; R687-E803 IonicContact NH2-OE2 2.84Å; R687-E803 PolarHBondContact NH2-OE2 3.14Å
688R93.9Very high94.1Very high64 Ų6426.6 Ų26.624%0.24213%0.127CC..Hα-helixtrans-62.6-37.3176.1-67.8-61.6-64.5157.2-1.2112.9Y684 M685 H686 E691 Y692 F715 D719Y684-R688 HydrophobicContact CD1-CG 4.08Å; Y684-R688 HydrophobicContact CE1-CG 3.58Å; Y684-R688 HydrophobicContact CE2-CG 4.11Å; Y684-R688 WeakPolarHBondContact O-CG 3.36Å; Y684-R688 PolarHBondContact O-N 3.18Å; Y684-R688 WeakPolarHBondContact OH-CD 3.37Å; M685-R688 HydrophobicContact CE-CB 4.13Å; M685-R688 PolarHBondContact O-N 2.85Å; H686-R688 VanDerWaalsContact C-N 3.31Å; H686-R688 PolarHBondContact O-N 3.43Å; R688-E691 IonicContact CZ-OE2 3.44Å; R688-E691 IonicContact NE-OE2 2.76Å; R688-E691 IonicContact NH1-OE2 3.79Å; R688-E691 PolarHBondContact NH1-OE2 3.03Å; R688-E691 PolarHBondContact O-N 2.96Å; R688-Y692 WeakPolarHBondContact O-CB 3.43Å; R688-Y692 PolarHBondContact O-N 3.35Å; R688-F715 HydrophobicContact CB-CE2 4.48Å; R688-D719 IonicContact CZ-OD1 2.68Å; R688-D719 VanDerWaalsContact CZ-OD1 3.26Å; R688-D719 IonicContact NE-OD1 3.37Å; R688-D719 PolarHBondContact NE-OD1 3.45Å; R688-D719 IonicContact NH2-OD1 3.64Å; R688-D719 PolarHBondContact NH2-OD1 3.14Å; R688-D719 IonicContact NH2-OD2 3.71Å
689L95.6Very high94.3Very high1 Ų126.3 Ų26.31%0.00513%0.125CC..Hα-helixtrans-62.9-43.6174.3-175.966.2000111.5M685 H686 R687 Y692 I693 F715 N751 V752 T755M685-L689 PolarHBondContact O-N 3.11Å; H686-L689 WeakPolarHBondContact O-CB 3.44Å; H686-L689 PolarHBondContact O-N 2.68Å; H686-L689 VanDerWaalsContact O-N 3.11Å; R687-L689 VanDerWaalsContact C-N 3.33Å; R687-L689 PolarHBondContact O-N 3.06Å; L689-Y692 HydrophobicContact CD1-CD1 4.21Å; L689-Y692 WeakPolarHBondContact O-CB 3.19Å; L689-Y692 PolarHBondContact O-N 3.07Å; L689-I693 WeakPolarHBondContact O-CG2 3.33Å; L689-I693 PolarHBondContact O-N 3.4Å; L689-F715 HydrophobicContact CB-CZ 4.29Å; L689-F715 HydrophobicContact CD1-CE1 3.86Å; L689-F715 HydrophobicContact CD1-CZ 3.58Å; L689-N751 HydrophobicContact CD2-CB 4.19Å; L689-V752 HydrophobicContact CD1-CG2 4.27Å; L689-V752 HydrophobicContact CD2-CG2 4.14Å; L689-T755 HydrophobicContact CD1-CG2 3.71Å; L689-T755 HydrophobicContact CD2-CG2 4.46Å; L689-T755 HydrophobicContact CG-CG2 4.1Å
690S94.1Very high94.6Very high4 Ų426.1 Ų26.13%0.02812%0.124CC..Hα-helixtrans-62.6-43.1176.3-62.20000112.5H686 R687 I693 A694 P792 T794H686-S690 PolarHBondContact O-N 2.9Å; H686-S690 PolarHBondContact O-OG 3.34Å; R687-S690 PolarHBondContact O-N 2.94Å; S690-I693 WeakPolarHBondContact O-CG2 3.11Å; S690-I693 PolarHBondContact O-N 3.49Å; S690-A694 VanDerWaalsContact O-CB 3.31Å; S690-A694 WeakPolarHBondContact O-CB 3.42Å; S690-A694 PolarHBondContact O-N 2.8Å; S690-P792 WeakPolarHBondContact CB-O 3.48Å; S690-P792 WeakPolarHBondContact OG-CB 3.35Å; S690-P792 WeakPolarHBondContact OG-CD 3.25Å; S690-P792 PolarHBondContact OG-O 3.14Å; S690-T794 VanDerWaalsContact OG-CG2 3.26Å; S690-T794 WeakPolarHBondContact OG-CG2 3.44Å
691E93.8Very high94.7Very high56 Ų5629.3 Ų29.326%0.26214%0.138SC..Hα-helixtrans-63.4-44175.3-67.5-178.6149.700112.1R687 R688 S695R687-E691 IonicContact CZ-OE1 2.74Å; R687-E691 IonicContact NE-OE1 3.47Å; R687-E691 IonicContact NH1-OE1 2.81Å; R687-E691 PolarHBondContact NH1-OE1 3.38Å; R687-E691 IonicContact NH2-OE1 3.94Å; R687-E691 PolarHBondContact NH2-OE1 2.81Å; R687-E691 WeakPolarHBondContact O-CG 3.22Å; R687-E691 PolarHBondContact O-N 3.45Å; R688-E691 IonicContact CZ-OE2 3.44Å; R688-E691 IonicContact NE-OE2 2.76Å; R688-E691 IonicContact NH1-OE2 3.79Å; R688-E691 PolarHBondContact NH1-OE2 3.03Å; R688-E691 PolarHBondContact O-N 2.96Å; E691-S695 VanDerWaalsContact O-CB 3.26Å; E691-S695 WeakPolarHBondContact O-CB 3.4Å; E691-S695 PolarHBondContact O-N 2.9Å
692Y97.1Very high94.8Very high13 Ų1335.6 Ų35.65%0.05116%0.162CC..Hα-helixtrans-56.1-52.8176.3161.4-108.8000111.1R688 L689 S695 M696 A712 F715 Y756 S759R688-Y692 WeakPolarHBondContact O-CB 3.43Å; R688-Y692 PolarHBondContact O-N 3.35Å; L689-Y692 HydrophobicContact CD1-CD1 4.21Å; L689-Y692 WeakPolarHBondContact O-CB 3.19Å; L689-Y692 PolarHBondContact O-N 3.07Å; Y692-S695 PolarHBondContact O-N 2.98Å; Y692-M696 HydrophobicContact CD2-CG 3.85Å; Y692-M696 HydrophobicContact CE1-CG 4.33Å; Y692-M696 HydrophobicContact CE2-CG 3.3Å; Y692-M696 HydrophobicContact CE2-SD 3.86Å; Y692-M696 WeakPolarHBondContact O-CB 3.47Å; Y692-M696 WeakPolarHBondContact O-CG 3.18Å; Y692-M696 PolarHBondContact O-N 3.35Å; Y692-A712 HydrophobicContact CE2-CB 4.14Å; Y692-A712 WeakPolarHBondContact OH-CB 3.12Å; Y692-F715 AromaticContact CD1-CD1 3.84Å; Y692-F715 HydrophobicContact CD1-CD1 3.84Å; Y692-F715 HydrophobicContact CD1-CD2 4.46Å; Y692-F715 AromaticContact CD1-CE1 3.88Å; Y692-F715 HydrophobicContact CD1-CE1 3.88Å; Y692-F715 HydrophobicContact CD1-CE2 4.49Å; Y692-F715 HydrophobicContact CD1-CG 4.14Å; Y692-F715 HydrophobicContact CD1-CZ 4.21Å; Y692-F715 HydrophobicContact CD2-CB 3.61Å; Y692-F715 HydrophobicContact CD2-CD1 4.07Å; Y692-F715 HydrophobicContact CD2-CD2 4.12Å; Y692-F715 AromaticContact CD2-CG 3.67Å; Y692-F715 HydrophobicContact CD2-CG 3.67Å; Y692-F715 HydrophobicContact CE1-CD1 4.05Å; Y692-F715 HydrophobicContact CE1-CE1 4.27Å; Y692-F715 HydrophobicContact CE2-CB 3.92Å; Y692-F715 HydrophobicContact CE2-CD1 4.27Å; Y692-F715 HydrophobicContact CE2-CG 4.18Å; Y692-F715 HydrophobicContact CG-CB 4.13Å; Y692-F715 AromaticContact CG-CD1 3.84Å; Y692-F715 HydrophobicContact CG-CD1 3.84Å; Y692-F715 AromaticContact CG-CD2 3.79Å; Y692-F715 HydrophobicContact CG-CD2 3.79Å; Y692-F715 HydrophobicContact CG-CE1 4.17Å; Y692-F715 HydrophobicContact CG-CE2 4.12Å; Y692-F715 AromaticContact CG-CG 3.64Å; Y692-F715 HydrophobicContact CG-CG 3.64Å; Y692-F715 HydrophobicContact CG-CZ 4.29Å; Y692-Y756 HydrophobicContact CE1-CD2 4.14Å; Y692-Y756 AromaticContact CZ-CD2 3.99Å; Y692-S759 PolarHBondContact OH-OG 3.3Å
693I96.6Very high94.8Very high0 Ų036.3 Ų36.30%017%0.165CC..Hα-helixtrans-71-36.8-174.3-169.658.9000112.7L689 S690 S695 M696 R697 T755 W788 P789 V791L689-I693 WeakPolarHBondContact O-CG2 3.33Å; L689-I693 PolarHBondContact O-N 3.4Å; S690-I693 WeakPolarHBondContact O-CG2 3.11Å; S690-I693 PolarHBondContact O-N 3.49Å; I693-S695 VanDerWaalsContact C-N 3.31Å; I693-S695 PolarHBondContact O-N 2.87Å; I693-M696 HydrophobicContact CD1-CB 4.37Å; I693-M696 PolarHBondContact O-N 3.02Å; I693-R697 WeakPolarHBondContact O-CB 3.31Å; I693-R697 PolarHBondContact O-N 2.92Å; I693-T755 HydrophobicContact CB-CG2 4.11Å; I693-T755 HydrophobicContact CD1-CG2 4.32Å; I693-T755 HydrophobicContact CG1-CG2 4.21Å; I693-W788 HydrophobicContact CD1-CH2 4.37Å; I693-W788 HydrophobicContact CD1-CZ2 3.51Å; I693-P789 HydrophobicContact CD1-CG 3.43Å; I693-P789 VanDerWaalsContact CD1-CG 3.43Å; I693-P789 HydrophobicContact CG1-CG 3.85Å; I693-V791 HydrophobicContact CG2-CB 4.24Å; I693-V791 HydrophobicContact CG2-CG1 4.11Å; I693-V791 HydrophobicContact CG2-CG2 4.1Å
694A95.7Very high94.9Very high44 Ų4438.4 Ų38.436%0.36417%0.173SC..Hα-helixtrans-61.4-42.2173.300000111.3S690 R697 D698 V791S690-A694 VanDerWaalsContact O-CB 3.31Å; S690-A694 WeakPolarHBondContact O-CB 3.42Å; S690-A694 PolarHBondContact O-N 2.8Å; A694-R697 PolarHBondContact O-N 2.99Å; A694-D698 PolarHBondContact O-N 3.25Å; A694-V791 HydrophobicContact CB-CG1 4.31Å; A694-V791 HydrophobicContact CB-CG2 4.45Å
695S96.4Very high95.1Very high43 Ų4337.1 Ų37.130%0.30117%0.168SC..Hα-helixtrans-69.1-38.4178.6-157.60000113E691 Y692 I693 D699 K711E691-S695 VanDerWaalsContact O-CB 3.26Å; E691-S695 WeakPolarHBondContact O-CB 3.4Å; E691-S695 PolarHBondContact O-N 2.9Å; Y692-S695 PolarHBondContact O-N 2.98Å; I693-S695 VanDerWaalsContact C-N 3.31Å; I693-S695 PolarHBondContact O-N 2.87Å; S695-D699 PolarHBondContact O-N 3.11Å; S695-D699 VanDerWaalsContact O-N 3.13Å; S695-K711 WeakPolarHBondContact OG-CD 3.48Å; S695-K711 WeakPolarHBondContact OG-CE 3.29Å; S695-K711 PolarHBondContact OG-NZ 2.85Å
696M96.6Very high95.2Very high0 Ų038 Ų380%017%0.173CC..Hα-helixtrans-61.3-44.2172.8-79.1-70.3-69.800111.6Y692 I693 D699 L700 A708 K711 A712 W788Y692-M696 HydrophobicContact CD2-CG 3.85Å; Y692-M696 HydrophobicContact CE1-CG 4.33Å; Y692-M696 HydrophobicContact CE2-CG 3.3Å; Y692-M696 HydrophobicContact CE2-SD 3.86Å; Y692-M696 WeakPolarHBondContact O-CB 3.47Å; Y692-M696 WeakPolarHBondContact O-CG 3.18Å; Y692-M696 PolarHBondContact O-N 3.35Å; I693-M696 HydrophobicContact CD1-CB 4.37Å; I693-M696 PolarHBondContact O-N 3.02Å; M696-D699 PolarHBondContact O-N 2.75Å; M696-L700 WeakPolarHBondContact O-CG 3.29Å; M696-L700 PolarHBondContact O-N 2.89Å; M696-A708 HydrophobicContact CE-CB 4.13Å; M696-A708 VanDerWaalsContact SD-C 3.57Å; M696-A708 HydrophobicContact SD-CB 3.9Å; M696-K711 HydrophobicContact SD-CB 4.37Å; M696-A712 HydrophobicContact CE-CB 4.21Å; M696-A712 HydrophobicContact SD-CB 4.13Å; M696-W788 HydrophobicContact CB-CZ2 4.21Å
697R96.1Very high95.4Very high116 Ų11639 Ų3944%0.43818%0.182SC..Hα-helixtrans-62-48177.9-172.1179.6-177.8163.30.8111.6Y66 I693 A694 D699 L700 E701Y66-R697 WeakPolarHBondContact OH-CG 3.47Å; I693-R697 WeakPolarHBondContact O-CB 3.31Å; I693-R697 PolarHBondContact O-N 2.92Å; A694-R697 PolarHBondContact O-N 2.99Å; R697-D699 VanDerWaalsContact C-N 3.29Å; R697-D699 PolarHBondContact O-N 3.37Å; R697-L700 PolarHBondContact O-N 3.04Å; R697-E701 HydrophobicContact CG-CG 4.4Å; R697-E701 WeakPolarHBondContact O-CB 3.25Å; R697-E701 WeakPolarHBondContact O-CG 3.21Å; R697-E701 PolarHBondContact O-N 2.83Å
698D96.3Very high95.7Very high59 Ų5936.4 Ų36.432%0.31617%0.172SC..Hα-helixtrans-59.2-40.1177.3-179.368.9000111.9A694 R702 R704A694-D698 PolarHBondContact O-N 3.25Å; D698-R702 WeakPolarHBondContact O-CB 3.22Å; D698-R702 VanDerWaalsContact O-CG 3.28Å; D698-R702 WeakPolarHBondContact O-CG 3.21Å; D698-R702 PolarHBondContact O-N 3.03Å; D698-R702 VanDerWaalsContact O-N 3.17Å; D698-R702 IonicContact OD1-CZ 2.67Å; D698-R702 IonicContact OD1-NE 2.72Å; D698-R702 PolarHBondContact OD1-NE 3.21Å; D698-R702 IonicContact OD1-NH2 3.7Å; D698-R702 PolarHBondContact OD1-NH2 3.25Å; D698-R702 IonicContact OD2-NE 3.56Å; D698-R702 PolarHBondContact OD2-NE 3.02Å; D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NH2 2.82Å; D698-R704 PolarHBondContact OD2-NH2 2.72Å
699D96.4Very high95.9Very high0 Ų033.4 Ų33.40%016%0.161CC..Hα-helixtrans-65.9-46.6176.6-79.5-9.4000112.9S695 M696 R697 R702 Y703 R704 S707 A708 K711S695-D699 PolarHBondContact O-N 3.11Å; S695-D699 VanDerWaalsContact O-N 3.13Å; M696-D699 PolarHBondContact O-N 2.75Å; R697-D699 VanDerWaalsContact C-N 3.29Å; R697-D699 PolarHBondContact O-N 3.37Å; D699-R702 CarbonylContact O-C 3.59Å; D699-R702 PolarHBondContact O-N 2.85Å; D699-Y703 PolarHBondContact O-N 2.73Å; D699-R704 HydrophobicContact CB-CB 4.16Å; D699-R704 PolarHBondContact O-N 2.82Å; D699-R704 IonicContact OD1-CZ 3.14Å; D699-R704 IonicContact OD1-NE 3.76Å; D699-R704 PolarHBondContact OD1-NE 3.2Å; D699-R704 IonicContact OD1-NH2 3.95Å; D699-R704 PolarHBondContact OD1-NH2 3.44Å; D699-S707 VanDerWaalsContact CG-OG 3.29Å; D699-S707 PolarHBondContact OD1-OG 3.28Å; D699-S707 VanDerWaalsContact OD2-C 3.24Å; D699-S707 WeakPolarHBondContact OD2-CB 3.36Å; D699-S707 PolarHBondContact OD2-OG 3.01Å; D699-A708 HydrophobicContact CB-CB 3.81Å; D699-A708 PolarHBondContact OD2-N 3.26Å; D699-K711 IonicContact OD1-NZ 3.48Å; D699-K711 PolarHBondContact OD1-NZ 2.85Å; D699-K711 VanDerWaalsContact OD1-NZ 3.08Å; D699-K711 VanDerWaalsContact OD2-CD 3.28Å; D699-K711 WeakPolarHBondContact OD2-CD 3.33Å; D699-K711 WeakPolarHBondContact OD2-CE 3.47Å; D699-K711 IonicContact OD2-NZ 2.67Å; D699-K711 PolarHBondContact OD2-NZ 2.91Å
700L96.5Very high95.9Very high5 Ų536.9 Ų36.93%0.02618%0.182CC..Hα-helixtrans-71-35.1-178.2-69.7174.6000112.6I62 Y66 M696 R697 R702 Y703 I705 A708 W788I62-L700 HydrophobicContact CG2-CD2 4.46Å; Y66-L700 HydrophobicContact CD1-CB 4.09Å; Y66-L700 HydrophobicContact CD2-CB 3.92Å; Y66-L700 HydrophobicContact CD2-CD1 3.52Å; Y66-L700 HydrophobicContact CD2-CG 4.34Å; Y66-L700 HydrophobicContact CE1-CB 3.98Å; Y66-L700 HydrophobicContact CE2-CB 3.78Å; Y66-L700 HydrophobicContact CE2-CD1 3.82Å; Y66-L700 HydrophobicContact CE2-CG 4.47Å; Y66-L700 HydrophobicContact CG-CB 4.07Å; Y66-L700 HydrophobicContact CG-CD1 4.15Å; M696-L700 WeakPolarHBondContact O-CG 3.29Å; M696-L700 PolarHBondContact O-N 2.89Å; R697-L700 PolarHBondContact O-N 3.04Å; L700-R702 VanDerWaalsContact C-N 3.26Å; L700-R702 PolarHBondContact O-N 3.34Å; L700-Y703 PolarHBondContact O-N 2.85Å; L700-Y703 VanDerWaalsContact O-N 3.15Å; L700-I705 HydrophobicContact CD2-CG1 4.35Å; L700-A708 HydrophobicContact CD2-CB 3.94Å; L700-A708 HydrophobicContact CG-CB 4.03Å; L700-W788 HydrophobicContact CD1-CH2 3.38Å; L700-W788 HydrophobicContact CD1-CZ2 4.19Å; L700-W788 HydrophobicContact CD1-CZ3 3.84Å
701E94.6Very high96.1Very high67 Ų6739.5 Ų39.531%0.31319%0.193SC..Hα-helixtrans-63.6-32.5171-73.5-55.9155.800112.5Y66 K67 R697 Y703Y66-E701 HydrophobicContact CE1-CG 4.36Å; Y66-E701 VanDerWaalsContact CE1-OE1 3.25Å; Y66-E701 WeakPolarHBondContact CE1-OE1 3.5Å; Y66-E701 VanDerWaalsContact CZ-OE1 3.3Å; Y66-E701 VanDerWaalsContact OH-CD 3.26Å; Y66-E701 WeakPolarHBondContact OH-CG 3.01Å; Y66-E701 PolarHBondContact OH-OE1 3.39Å; K67-E701 IonicContact NZ-OE1 3.23Å; K67-E701 IonicContact NZ-OE2 3.59Å; K67-E701 PolarHBondContact NZ-OE2 3.45Å; R697-E701 HydrophobicContact CG-CG 4.4Å; R697-E701 WeakPolarHBondContact O-CB 3.25Å; R697-E701 WeakPolarHBondContact O-CG 3.21Å; R697-E701 PolarHBondContact O-N 2.83Å; E701-Y703 VanDerWaalsContact C-N 3.33Å
702R93.8Very high96.3Very high135 Ų13536.9 Ų36.951%0.50918%0.181SC..THydrogen-bonded Turntrans-93.112.2175.2-62.4177.1-168.6-122.44.1113.3D698 D699 L700 R704D698-R702 WeakPolarHBondContact O-CB 3.22Å; D698-R702 VanDerWaalsContact O-CG 3.28Å; D698-R702 WeakPolarHBondContact O-CG 3.21Å; D698-R702 PolarHBondContact O-N 3.03Å; D698-R702 VanDerWaalsContact O-N 3.17Å; D698-R702 IonicContact OD1-CZ 2.67Å; D698-R702 IonicContact OD1-NE 2.72Å; D698-R702 PolarHBondContact OD1-NE 3.21Å; D698-R702 IonicContact OD1-NH2 3.7Å; D698-R702 PolarHBondContact OD1-NH2 3.25Å; D698-R702 IonicContact OD2-NE 3.56Å; D698-R702 PolarHBondContact OD2-NE 3.02Å; D699-R702 CarbonylContact O-C 3.59Å; D699-R702 PolarHBondContact O-N 2.85Å; L700-R702 VanDerWaalsContact C-N 3.26Å; L700-R702 PolarHBondContact O-N 3.34Å; R702-R704 HydrophobicContact CB-CG 4.25Å; R702-R704 PolarHBondContact O-N 3.36Å; R702-R704 VanDerWaalsContact O-N 3.12Å
703Y94.8Very high96.4Very high14 Ų1437.3 Ų37.36%0.05519%0.185CC..THydrogen-bonded Turntrans5821.5179.2-45.9-66.1000116I63 F433 L544 H574 I576 D699 L700 E701 I705I63-Y703 HydrophobicContact CD1-CD1 3.67Å; I63-Y703 HydrophobicContact CD1-CE1 4.23Å; I63-Y703 HydrophobicContact CG1-CD1 4.1Å; I63-Y703 HydrophobicContact CG2-CD1 4.29Å; I63-Y703 HydrophobicContact CG2-CE1 3.94Å; F433-Y703 AromaticContact CD2-CD2 3.94Å; F433-Y703 HydrophobicContact CD2-CD2 3.94Å; F433-Y703 HydrophobicContact CD2-CE2 4.39Å; F433-Y703 HydrophobicContact CE1-CD2 4.5Å; F433-Y703 AromaticContact CE2-CD2 3.81Å; F433-Y703 HydrophobicContact CE2-CD2 3.81Å; F433-Y703 AromaticContact CE2-CE2 3.92Å; F433-Y703 HydrophobicContact CE2-CE2 3.92Å; F433-Y703 HydrophobicContact CG-CD2 4.35Å; F433-Y703 HydrophobicContact CZ-CD2 4.11Å; F433-Y703 HydrophobicContact CZ-CE2 4.33Å; L544-Y703 HydrophobicContact CD1-CE1 4.49Å; L544-Y703 HydrophobicContact CD1-CE2 4.45Å; L544-Y703 HydrophobicContact CD2-CE1 4.08Å; H574-Y703 HydrophobicContact CB-CE2 4.06Å; H574-Y703 PolarHBondContact CD2-OH 3.01Å; I576-Y703 VanDerWaalsContact CD1-CB 3.49Å; I576-Y703 HydrophobicContact CD1-CD1 3.88Å; I576-Y703 HydrophobicContact CD1-CD2 4.06Å; I576-Y703 HydrophobicContact CD1-CG 3.54Å; I576-Y703 HydrophobicContact CG1-CD2 4.33Å; I576-Y703 HydrophobicContact CG1-CG 4.26Å; D699-Y703 PolarHBondContact O-N 2.73Å; L700-Y703 PolarHBondContact O-N 2.85Å; L700-Y703 VanDerWaalsContact O-N 3.15Å; E701-Y703 VanDerWaalsContact C-N 3.33Å; Y703-I705 VanDerWaalsContact C-N 3.29Å; Y703-I705 PolarHBondContact O-N 2.94Å
704R94.8Very high96.4Very high85 Ų8543 Ų4332%0.32121%0.211SC..  trans-83.664.9177.8-59.9-168.6-61.2-142.6-8.6111.5D698 D699 R702 V706 S707 A708D698-R704 IonicContact OD2-CZ 3.37Å; D698-R704 IonicContact OD2-NH2 2.82Å; D698-R704 PolarHBondContact OD2-NH2 2.72Å; D699-R704 HydrophobicContact CB-CB 4.16Å; D699-R704 PolarHBondContact O-N 2.82Å; D699-R704 IonicContact OD1-CZ 3.14Å; D699-R704 IonicContact OD1-NE 3.76Å; D699-R704 PolarHBondContact OD1-NE 3.2Å; D699-R704 IonicContact OD1-NH2 3.95Å; D699-R704 PolarHBondContact OD1-NH2 3.44Å; R702-R704 HydrophobicContact CB-CG 4.25Å; R702-R704 PolarHBondContact O-N 3.36Å; R702-R704 VanDerWaalsContact O-N 3.12Å; R704-V706 PolarHBondContact O-N 3.04Å; R704-S707 WeakPolarHBondContact O-CB 3.48Å; R704-S707 PolarHBondContact O-N 2.84Å; R704-S707 VanDerWaalsContact O-N 3.15Å; R704-A708 PolarHBondContact O-N 3.35Å
705I96.6Very high96.5Very high3 Ų341.1 Ų41.12%0.01520%0.195CC..Hα-helixtrans-61-41.1-172.3-64.4166.9000112.1L59 I62 I63 A626 L700 Y703 S707 A708 M709L59-I705 HydrophobicContact CD2-CD1 3.63Å; I62-I705 HydrophobicContact CB-CD1 4.33Å; I62-I705 HydrophobicContact CD1-CG2 3.94Å; I62-I705 HydrophobicContact CG2-CD1 4.07Å; I62-I705 HydrophobicContact CG2-CG1 4.23Å; I62-I705 HydrophobicContact CG2-CG2 4.34Å; I63-I705 HydrophobicContact CD1-CD1 4.31Å; I63-I705 HydrophobicContact CG1-CD1 4.17Å; A626-I705 HydrophobicContact CB-CG2 4.09Å; L700-I705 HydrophobicContact CD2-CG1 4.35Å; Y703-I705 VanDerWaalsContact C-N 3.29Å; Y703-I705 PolarHBondContact O-N 2.94Å; I705-S707 VanDerWaalsContact C-N 3.34Å; I705-S707 PolarHBondContact O-N 2.83Å; I705-A708 PolarHBondContact O-N 2.86Å; I705-M709 PolarHBondContact O-N 3.14Å
706V96Very high96.6Very high18 Ų1839 Ų3911%0.10918%0.181CC..Hα-helixtrans-60.7-42.81761700000112.1A626 S630 R704 T710A626-V706 WeakPolarHBondContact O-CA 3.4Å; A626-V706 WeakPolarHBondContact O-CG2 3.46Å; S630-V706 WeakPolarHBondContact OG-CG2 3.48Å; S630-V706 PolarHBondContact OG-N 2.77Å; S630-V706 VanDerWaalsContact OG-N 3.17Å; R704-V706 PolarHBondContact O-N 3.04Å; V706-T710 VanDerWaalsContact O-CB 3.3Å; V706-T710 WeakPolarHBondContact O-CB 3.44Å; V706-T710 PolarHBondContact O-N 3.12Å; V706-T710 PolarHBondContact O-OG1 3.22Å
707S96.2Very high96.6Very high38 Ų3840.4 Ų40.427%0.26619%0.188SC..Hα-helixtrans-64.1-46.7176.1179.80000111.1D699 R704 I705 M709 T710 K711D699-S707 VanDerWaalsContact CG-OG 3.29Å; D699-S707 PolarHBondContact OD1-OG 3.28Å; D699-S707 VanDerWaalsContact OD2-C 3.24Å; D699-S707 WeakPolarHBondContact OD2-CB 3.36Å; D699-S707 PolarHBondContact OD2-OG 3.01Å; R704-S707 WeakPolarHBondContact O-CB 3.48Å; R704-S707 PolarHBondContact O-N 2.84Å; R704-S707 VanDerWaalsContact O-N 3.15Å; I705-S707 VanDerWaalsContact C-N 3.34Å; I705-S707 PolarHBondContact O-N 2.83Å; S707-M709 PolarHBondContact O-N 2.82Å; S707-T710 PolarHBondContact O-N 3.1Å; S707-K711 WeakPolarHBondContact O-CG 3.32Å; S707-K711 PolarHBondContact O-N 2.89Å; S707-K711 WeakPolarHBondContact OG-CE 3.49Å
708A97.6Very high96.6Very high0 Ų036 Ų360%018%0.178CC..Hα-helixtrans-56.9-5417800000111.1M696 D699 L700 R704 I705 T710 K711 A712M696-A708 HydrophobicContact CE-CB 4.13Å; M696-A708 VanDerWaalsContact SD-C 3.57Å; M696-A708 HydrophobicContact SD-CB 3.9Å; D699-A708 HydrophobicContact CB-CB 3.81Å; D699-A708 PolarHBondContact OD2-N 3.26Å; L700-A708 HydrophobicContact CD2-CB 3.94Å; L700-A708 HydrophobicContact CG-CB 4.03Å; R704-A708 PolarHBondContact O-N 3.35Å; I705-A708 PolarHBondContact O-N 2.86Å; A708-T710 VanDerWaalsContact C-N 3.31Å; A708-T710 PolarHBondContact O-N 2.91Å; A708-K711 PolarHBondContact O-N 3.3Å; A708-K711 VanDerWaalsContact O-N 3.16Å; A708-A712 PolarHBondContact O-N 2.66Å
709M97.6Very high96.6Very high0 Ų034 Ų340%017%0.167CC..Hα-helixtrans-62.9-38.2-179-168.964.9-12800112.1L623 A626 L627 I652 I705 S707 K711 A712 V713 I763 L764L623-M709 HydrophobicContact CD1-CE 3.72Å; L623-M709 HydrophobicContact CD1-CG 3.74Å; L623-M709 HydrophobicContact CD1-SD 3.75Å; A626-M709 HydrophobicContact CB-CB 4.03Å; A626-M709 HydrophobicContact CB-CG 3.96Å; L627-M709 HydrophobicContact CD2-CB 4.21Å; L627-M709 HydrophobicContact CD2-CG 3.74Å; L627-M709 HydrophobicContact CG-CG 4.12Å; I652-M709 HydrophobicContact CD1-CE 4.03Å; I705-M709 PolarHBondContact O-N 3.14Å; S707-M709 PolarHBondContact O-N 2.82Å; M709-K711 VanDerWaalsContact C-N 3.34Å; M709-K711 PolarHBondContact O-N 3.03Å; M709-A712 HydrophobicContact CE-CB 4.1Å; M709-A712 PolarHBondContact O-N 2.93Å; M709-V713 HydrophobicContact CE-CG2 3.59Å; M709-V713 WeakPolarHBondContact O-CG2 3.13Å; M709-V713 PolarHBondContact O-N 3.08Å; M709-I763 HydrophobicContact CB-CD1 4.23Å; M709-I763 HydrophobicContact SD-CB 4.37Å; M709-I763 HydrophobicContact SD-CD1 3.8Å; M709-I763 HydrophobicContact SD-CG2 3.78Å; M709-L764 HydrophobicContact CE-CD1 4.36Å
710T97Very high96.7Very high74 Ų7434 Ų3445%0.45417%0.167SC..Hα-helixtrans-61.4-42.3176.4-58.60000111.6V706 S707 A708 V713 H714V706-T710 VanDerWaalsContact O-CB 3.3Å; V706-T710 WeakPolarHBondContact O-CB 3.44Å; V706-T710 PolarHBondContact O-N 3.12Å; V706-T710 PolarHBondContact O-OG1 3.22Å; S707-T710 PolarHBondContact O-N 3.1Å; A708-T710 VanDerWaalsContact C-N 3.31Å; A708-T710 PolarHBondContact O-N 2.91Å; T710-V713 PolarHBondContact O-N 3.18Å; T710-H714 PolarHBondContact O-N 3.14Å
711K97.5Very high96.7Very high60 Ų6035.4 Ų35.426%0.26118%0.178SC..Hα-helixtrans-64.6-40.8175.2-70.8172.4-175.8171.70112S695 M696 D699 S707 A708 M709 V713 H714 F715S695-K711 WeakPolarHBondContact OG-CD 3.48Å; S695-K711 WeakPolarHBondContact OG-CE 3.29Å; S695-K711 PolarHBondContact OG-NZ 2.85Å; M696-K711 HydrophobicContact SD-CB 4.37Å; D699-K711 IonicContact OD1-NZ 3.48Å; D699-K711 PolarHBondContact OD1-NZ 2.85Å; D699-K711 VanDerWaalsContact OD1-NZ 3.08Å; D699-K711 VanDerWaalsContact OD2-CD 3.28Å; D699-K711 WeakPolarHBondContact OD2-CD 3.33Å; D699-K711 WeakPolarHBondContact OD2-CE 3.47Å; D699-K711 IonicContact OD2-NZ 2.67Å; D699-K711 PolarHBondContact OD2-NZ 2.91Å; S707-K711 WeakPolarHBondContact O-CG 3.32Å; S707-K711 PolarHBondContact O-N 2.89Å; S707-K711 WeakPolarHBondContact OG-CE 3.49Å; A708-K711 PolarHBondContact O-N 3.3Å; A708-K711 VanDerWaalsContact O-N 3.16Å; M709-K711 VanDerWaalsContact C-N 3.34Å; M709-K711 PolarHBondContact O-N 3.03Å; K711-V713 PolarHBondContact O-N 2.87Å; K711-H714 PolarHBondContact O-N 2.91Å; K711-F715 WeakPolarHBondContact O-CB 3.21Å; K711-F715 PolarHBondContact O-N 3.14Å
712A98.3Very high96.7Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-62.1-40.3174.800000112.8Y692 M696 A708 M709 I716 Y756 I760Y692-A712 HydrophobicContact CE2-CB 4.14Å; Y692-A712 WeakPolarHBondContact OH-CB 3.12Å; M696-A712 HydrophobicContact CE-CB 4.21Å; M696-A712 HydrophobicContact SD-CB 4.13Å; A708-A712 PolarHBondContact O-N 2.66Å; M709-A712 HydrophobicContact CE-CB 4.1Å; M709-A712 PolarHBondContact O-N 2.93Å; A712-I716 WeakPolarHBondContact O-CG2 3.46Å; A712-I716 PolarHBondContact O-N 2.76Å; A712-Y756 HydrophobicContact CB-CE2 4.2Å; A712-Y756 WeakPolarHBondContact O-CE2 3.3Å; A712-Y756 PolarHBondContact O-OH 3.39Å; A712-I760 HydrophobicContact CB-CG2 4.21Å
713V98.1Very high96.7Very high23 Ų2332 Ų3214%0.13917%0.171CC..Hα-helixtrans-67-43.3174.6175.70000111.3T648 M709 T710 K711 I716 N717T648-V713 HydrophobicContact CG2-CB 4.43Å; T648-V713 HydrophobicContact CG2-CG1 4.01Å; T648-V713 HydrophobicContact CG2-CG2 3.47Å; T648-V713 VanDerWaalsContact CG2-CG2 3.47Å; M709-V713 HydrophobicContact CE-CG2 3.59Å; M709-V713 WeakPolarHBondContact O-CG2 3.13Å; M709-V713 PolarHBondContact O-N 3.08Å; T710-V713 PolarHBondContact O-N 3.18Å; K711-V713 PolarHBondContact O-N 2.87Å; V713-I716 WeakPolarHBondContact O-CG2 3.13Å; V713-N717 WeakPolarHBondContact O-CB 3.47Å; V713-N717 PolarHBondContact O-N 3.49Å
714H97.8Very high96.8Very high119 Ų11931.3 Ų31.355%0.55117%0.169SC*.Hα-helixtrans-61.2-45.9176.8-177-65.2000111.4T710 K711 G718 D719T710-H714 PolarHBondContact O-N 3.14Å; K711-H714 PolarHBondContact O-N 2.91Å; H714-G718 VanDerWaalsContact O-CA 3.31Å; H714-G718 WeakPolarHBondContact O-CA 3.44Å; H714-G718 PolarHBondContact O-N 3.28Å; H714-D719 IonicContact CE1-OD2 3.09Å; H714-D719 IonicContact ND1-OD2 3.67Å; H714-D719 PolarHBondContact ND1-OD2 3.03Å
715F98.4Very high96.9Very high4 Ų427.8 Ų27.82%0.01816%0.156CC..Iπ-helixtrans-62.7-50.3-176.9-179.9-104.6000112.2M685 R688 L689 Y692 K711 N717 D719 V720 V752 Y756M685-F715 HydrophobicContact CE-CE1 4.45Å; M685-F715 HydrophobicContact CE-CE2 3.45Å; M685-F715 VanDerWaalsContact CE-CE2 3.45Å; M685-F715 HydrophobicContact CE-CZ 3.37Å; R688-F715 HydrophobicContact CB-CE2 4.48Å; L689-F715 HydrophobicContact CB-CZ 4.29Å; L689-F715 HydrophobicContact CD1-CE1 3.86Å; L689-F715 HydrophobicContact CD1-CZ 3.58Å; Y692-F715 AromaticContact CD1-CD1 3.84Å; Y692-F715 HydrophobicContact CD1-CD1 3.84Å; Y692-F715 HydrophobicContact CD1-CD2 4.46Å; Y692-F715 AromaticContact CD1-CE1 3.88Å; Y692-F715 HydrophobicContact CD1-CE1 3.88Å; Y692-F715 HydrophobicContact CD1-CE2 4.49Å; Y692-F715 HydrophobicContact CD1-CG 4.14Å; Y692-F715 HydrophobicContact CD1-CZ 4.21Å; Y692-F715 HydrophobicContact CD2-CB 3.61Å; Y692-F715 HydrophobicContact CD2-CD1 4.07Å; Y692-F715 HydrophobicContact CD2-CD2 4.12Å; Y692-F715 AromaticContact CD2-CG 3.67Å; Y692-F715 HydrophobicContact CD2-CG 3.67Å; Y692-F715 HydrophobicContact CE1-CD1 4.05Å; Y692-F715 HydrophobicContact CE1-CE1 4.27Å; Y692-F715 HydrophobicContact CE2-CB 3.92Å; Y692-F715 HydrophobicContact CE2-CD1 4.27Å; Y692-F715 HydrophobicContact CE2-CG 4.18Å; Y692-F715 HydrophobicContact CG-CB 4.13Å; Y692-F715 AromaticContact CG-CD1 3.84Å; Y692-F715 HydrophobicContact CG-CD1 3.84Å; Y692-F715 AromaticContact CG-CD2 3.79Å; Y692-F715 HydrophobicContact CG-CD2 3.79Å; Y692-F715 HydrophobicContact CG-CE1 4.17Å; Y692-F715 HydrophobicContact CG-CE2 4.12Å; Y692-F715 AromaticContact CG-CG 3.64Å; Y692-F715 HydrophobicContact CG-CG 3.64Å; Y692-F715 HydrophobicContact CG-CZ 4.29Å; K711-F715 WeakPolarHBondContact O-CB 3.21Å; K711-F715 PolarHBondContact O-N 3.14Å; F715-N717 PolarHBondContact O-N 3.4Å; F715-D719 HydrophobicContact CD2-CB 3.76Å; F715-D719 HydrophobicContact CE2-CB 4.01Å; F715-D719 WeakPolarHBondContact O-CB 3.26Å; F715-D719 PolarHBondContact O-N 2.95Å; F715-D719 VanDerWaalsContact O-N 3.1Å; F715-V720 HydrophobicContact CD1-CG2 3.91Å; F715-V720 HydrophobicContact CE1-CG2 3.53Å; F715-V720 HydrophobicContact CE2-CG2 4.47Å; F715-V720 HydrophobicContact CZ-CG2 3.84Å; F715-V720 PolarHBondContact O-N 3.12Å; F715-V752 HydrophobicContact CE1-CG1 4.26Å; F715-Y756 AromaticContact CD1-CD2 3.95Å; F715-Y756 HydrophobicContact CD1-CD2 3.95Å; F715-Y756 HydrophobicContact CD1-CE2 4.4Å; F715-Y756 HydrophobicContact CE1-CD2 4.41Å
716I98.1Very high96.7Very high0 Ų030.3 Ų30.30%017%0.172CC..Iπ-helixtrans-67.8-36.7-176.8-163.763.4000112.7I652 V655 A712 V713 V720 S721 Y756I652-I716 HydrophobicContact CG1-CG2 4.12Å; V655-I716 HydrophobicContact CB-CD1 4.24Å; V655-I716 HydrophobicContact CB-CG1 3.97Å; V655-I716 HydrophobicContact CG1-CD1 3.6Å; V655-I716 HydrophobicContact CG1-CG1 3.81Å; V655-I716 HydrophobicContact CG2-CG1 4.35Å; A712-I716 WeakPolarHBondContact O-CG2 3.46Å; A712-I716 PolarHBondContact O-N 2.76Å; V713-I716 WeakPolarHBondContact O-CG2 3.13Å; I716-V720 HydrophobicContact CD1-CB 4.17Å; I716-V720 HydrophobicContact CD1-CG1 4.17Å; I716-V720 HydrophobicContact CD1-CG2 4.3Å; I716-V720 WeakPolarHBondContact O-CB 3.45Å; I716-S721 VanDerWaalsContact O-CB 3.26Å; I716-S721 WeakPolarHBondContact O-CB 3.42Å; I716-S721 PolarHBondContact O-N 2.93Å; I716-Y756 HydrophobicContact CB-CD2 4.45Å; I716-Y756 HydrophobicContact CB-CE1 4.25Å; I716-Y756 HydrophobicContact CB-CE2 3.71Å; I716-Y756 HydrophobicContact CD1-CD1 3.99Å; I716-Y756 HydrophobicContact CD1-CD2 4.34Å; I716-Y756 HydrophobicContact CD1-CE1 3.94Å; I716-Y756 HydrophobicContact CD1-CE2 4.31Å; I716-Y756 HydrophobicContact CD1-CG 4.18Å; I716-Y756 HydrophobicContact CG1-CE1 3.98Å; I716-Y756 HydrophobicContact CG1-CE2 4.28Å; I716-Y756 HydrophobicContact CG2-CE2 4.36Å; I716-Y756 WeakPolarHBondContact CG2-OH 3.46Å
717N96.5Very high96.5Very high29 Ų2929.6 Ų29.616%0.15517%0.168CC..Iπ-helixtrans-83.7-45.9-178.3-74.2-24.2000111.8Q651 V713 F715 S721 N722Q651-N717 PolarHBondContact OE1-ND2 3.39Å; V713-N717 WeakPolarHBondContact O-CB 3.47Å; V713-N717 PolarHBondContact O-N 3.49Å; F715-N717 PolarHBondContact O-N 3.4Å; N717-S721 WeakPolarHBondContact O-CB 3.45Å; N717-N722 VanDerWaalsContact O-CB 3.3Å; N717-N722 WeakPolarHBondContact O-CB 3.34Å; N717-N722 PolarHBondContact O-N 3.42Å; N717-N722 PolarHBondContact O-ND2 3.01Å; N717-N722 PolarHBondContact O-OD1 3.12Å
718G95.6Very high96.4Very high23 Ų2327.8 Ų27.824%0.23716%0.155CC..Iπ-helixtrans-79.1-73.9-177.500000112.1H714 N722 F723H714-G718 VanDerWaalsContact O-CA 3.31Å; H714-G718 WeakPolarHBondContact O-CA 3.44Å; H714-G718 PolarHBondContact O-N 3.28Å; G718-N722 PolarHBondContact O-N 2.88Å; G718-F723 PolarHBondContact O-N 3.06Å
719D97Very high96Very high16 Ų1633.1 Ų33.19%0.08618%0.178CC..Iπ-helixtrans-65.5-45.4-172.4-57.6-101.3000112.2M685 R688 H714 F715 F723 Y724M685-D719 HydrophobicContact CE-CB 4.2Å; R688-D719 IonicContact CZ-OD1 2.68Å; R688-D719 VanDerWaalsContact CZ-OD1 3.26Å; R688-D719 IonicContact NE-OD1 3.37Å; R688-D719 PolarHBondContact NE-OD1 3.45Å; R688-D719 IonicContact NH2-OD1 3.64Å; R688-D719 PolarHBondContact NH2-OD1 3.14Å; R688-D719 IonicContact NH2-OD2 3.71Å; H714-D719 IonicContact CE1-OD2 3.09Å; H714-D719 IonicContact ND1-OD2 3.67Å; H714-D719 PolarHBondContact ND1-OD2 3.03Å; F715-D719 HydrophobicContact CD2-CB 3.76Å; F715-D719 HydrophobicContact CE2-CB 4.01Å; F715-D719 WeakPolarHBondContact O-CB 3.26Å; F715-D719 PolarHBondContact O-N 2.95Å; F715-D719 VanDerWaalsContact O-N 3.1Å; D719-F723 WeakPolarHBondContact O-CB 3.35Å; D719-Y724 WeakPolarHBondContact O-CB 3.24Å; D719-Y724 PolarHBondContact O-N 3.38Å
720V97.8Very high95.5Very high0 Ų034.3 Ų34.30%019%0.185CC..Iπ-helixtrans-81.1-64.6-177.7-177.40000111.5V655 L659 M685 F715 I716 Y724 C725 V752V655-V720 HydrophobicContact CG1-CG1 4.22Å; L659-V720 HydrophobicContact CD1-CG1 4.39Å; M685-V720 HydrophobicContact CE-CG2 4.02Å; F715-V720 HydrophobicContact CD1-CG2 3.91Å; F715-V720 HydrophobicContact CE1-CG2 3.53Å; F715-V720 HydrophobicContact CE2-CG2 4.47Å; F715-V720 HydrophobicContact CZ-CG2 3.84Å; F715-V720 PolarHBondContact O-N 3.12Å; I716-V720 HydrophobicContact CD1-CB 4.17Å; I716-V720 HydrophobicContact CD1-CG1 4.17Å; I716-V720 HydrophobicContact CD1-CG2 4.3Å; I716-V720 WeakPolarHBondContact O-CB 3.45Å; V720-Y724 PolarHBondContact O-N 2.85Å; V720-C725 WeakPolarHBondContact O-CB 3.49Å; V720-C725 PolarHBondContact O-N 3.03Å; V720-C725 PolarHBondContact O-SG 3.25Å; V720-C725 VanDerWaalsContact O-SG 3.39Å; V720-V752 HydrophobicContact CG1-CG1 4.05Å; V720-V752 HydrophobicContact CG2-CG1 3.6Å
721S97Very high95.1Very high36 Ų3631.7 Ų31.725%0.25217%0.167SC..Iπ-helixtrans-69.9-60.5-172.4178.70000113.1I716 N717 T726I716-S721 VanDerWaalsContact O-CB 3.26Å; I716-S721 WeakPolarHBondContact O-CB 3.42Å; I716-S721 PolarHBondContact O-N 2.93Å; N717-S721 WeakPolarHBondContact O-CB 3.45Å; S721-T726 PolarHBondContact O-OG1 3.09Å
722N93.9Very high94.9Very high110 Ų11029.3 Ų29.359%0.58816%0.157SC*.Iπ-helixtrans-72.6-32.1-171.7-68.6-15.1000113.1N717 G718 T726N717-N722 VanDerWaalsContact O-CB 3.3Å; N717-N722 WeakPolarHBondContact O-CB 3.34Å; N717-N722 PolarHBondContact O-N 3.42Å; N717-N722 PolarHBondContact O-ND2 3.01Å; N717-N722 PolarHBondContact O-OD1 3.12Å; G718-N722 PolarHBondContact O-N 2.88Å; N722-T726 WeakPolarHBondContact O-CB 3.48Å; N722-T726 PolarHBondContact O-OG1 3.31Å
723F95.1Very high94.3Very high20 Ų2035.2 Ų35.29%0.08818%0.18CC..Iπ-helixtrans-97-70.7179.4171.4-110.5000112.1Y684 G718 D719 T726 T727 F806 L810 L854Y684-F723 AromaticContact CD1-CE1 3.77Å; Y684-F723 HydrophobicContact CD1-CE1 3.77Å; Y684-F723 HydrophobicContact CD1-CZ 4.08Å; Y684-F723 AromaticContact CE1-CE1 3.66Å; Y684-F723 HydrophobicContact CE1-CE1 3.66Å; Y684-F723 HydrophobicContact CE1-CZ 4.03Å; G718-F723 PolarHBondContact O-N 3.06Å; D719-F723 WeakPolarHBondContact O-CB 3.35Å; F723-T726 PolarHBondContact O-N 3.43Å; F723-T727 WeakPolarHBondContact O-CB 3.32Å; F723-T727 PolarHBondContact O-N 2.97Å; F723-T727 PolarHBondContact O-OG1 3.44Å; F723-F806 HydrophobicContact CZ-CE1 4.07Å; F723-F806 HydrophobicContact CZ-CZ 4.19Å; F723-L810 HydrophobicContact CD2-CD2 4.45Å; F723-L810 HydrophobicContact CE2-CD2 3.57Å; F723-L810 HydrophobicContact CZ-CD2 3.87Å; F723-L854 HydrophobicContact CE2-CD1 3.85Å; F723-L854 HydrophobicContact CZ-CD1 4.36Å
724Y96.7Very high93.8Very high0 Ų034.9 Ų34.90%018%0.178CC..Iπ-helixtrans-70.4-53.8-165.9-171.8-117.4000113.1V681 D682 M685 D719 V720 T726 T727 V728 V748 L749V681-Y724 HydrophobicContact CG1-CD2 3.99Å; V681-Y724 HydrophobicContact CG1-CE2 3.96Å; D682-Y724 PolarHBondContact OD1-OH 3.12Å; M685-Y724 HydrophobicContact CB-CD1 4.45Å; M685-Y724 HydrophobicContact CB-CD2 3.58Å; M685-Y724 HydrophobicContact CB-CE1 4.47Å; M685-Y724 HydrophobicContact CB-CE2 3.62Å; M685-Y724 HydrophobicContact CB-CG 4.04Å; M685-Y724 HydrophobicContact CG-CD1 3.72Å; M685-Y724 HydrophobicContact CG-CD2 3.67Å; M685-Y724 HydrophobicContact CG-CE1 4Å; M685-Y724 HydrophobicContact CG-CE2 3.97Å; M685-Y724 HydrophobicContact CG-CG 3.55Å; M685-Y724 HydrophobicContact SD-CD1 4.31Å; M685-Y724 HydrophobicContact SD-CD2 4.19Å; M685-Y724 HydrophobicContact SD-CG 3.81Å; D719-Y724 WeakPolarHBondContact O-CB 3.24Å; D719-Y724 PolarHBondContact O-N 3.38Å; V720-Y724 PolarHBondContact O-N 2.85Å; Y724-T726 PolarHBondContact O-N 2.81Å; Y724-T727 PolarHBondContact O-N 3.3Å; Y724-V728 HydrophobicContact CD1-CG2 4.37Å; Y724-V728 HydrophobicContact CD2-CG1 3.93Å; Y724-V728 HydrophobicContact CE1-CG1 4.36Å; Y724-V728 HydrophobicContact CE1-CG2 4.19Å; Y724-V728 HydrophobicContact CE2-CG1 3.46Å; Y724-V728 VanDerWaalsContact CE2-CG1 3.46Å; Y724-V728 WeakPolarHBondContact O-CG2 3.42Å; Y724-V728 PolarHBondContact O-N 2.64Å; Y724-V748 HydrophobicContact CE1-CB 4.21Å; Y724-V748 HydrophobicContact CE1-CG1 3.65Å; Y724-V748 HydrophobicContact CE2-CG1 4.39Å; Y724-V748 VanDerWaalsContact OH-CB 3.22Å; Y724-V748 WeakPolarHBondContact OH-CB 3.43Å; Y724-V748 WeakPolarHBondContact OH-CG1 3.41Å; Y724-L749 HydrophobicContact CD1-CD2 3.47Å; Y724-L749 VanDerWaalsContact CD1-CD2 3.47Å; Y724-L749 HydrophobicContact CD1-CG 4.32Å; Y724-L749 HydrophobicContact CE1-CD2 3.4Å; Y724-L749 HydrophobicContact CE1-CG 3.76Å
725C95.9Very high93.3Very high10 Ų1030.4 Ų30.47%0.06816%0.16CC..Iπ-helixtrans-57.8-35.2178.4-68.70000112.3F658 V720 K729F658-C725 HydrophobicContact CE1-CB 3.87Å; F658-C725 HydrophobicContact CZ-CB 4.5Å; V720-C725 WeakPolarHBondContact O-CB 3.49Å; V720-C725 PolarHBondContact O-N 3.03Å; V720-C725 PolarHBondContact O-SG 3.25Å; V720-C725 VanDerWaalsContact O-SG 3.39Å; C725-K729 WeakPolarHBondContact O-CB 3.25Å; C725-K729 PolarHBondContact O-N 3.31Å
726T91.8Very high92.9Very high56 Ų5631.6 Ų31.634%0.34417%0.169SC..Hα-helixtrans-67.5-41.3175.4-63.20000111.5S721 N722 F723 Y724 L856S721-T726 PolarHBondContact O-OG1 3.09Å; N722-T726 WeakPolarHBondContact O-CB 3.48Å; N722-T726 PolarHBondContact O-OG1 3.31Å; F723-T726 PolarHBondContact O-N 3.43Å; Y724-T726 PolarHBondContact O-N 2.81Å; T726-L856 HydrophobicContact CG2-CD1 4.09Å; T726-L856 HydrophobicContact CG2-CD2 4.29Å
727T92.3Very high92.3Very high3 Ų338.4 Ų38.42%0.01820%0.198CC..Hα-helixtrans-70.5-48.2-179.5-54.10000111.6V681 F723 Y724 K729 D853 L854V681-T727 HydrophobicContact CG1-CG2 3.96Å; V681-T727 HydrophobicContact CG2-CG2 4.38Å; F723-T727 WeakPolarHBondContact O-CB 3.32Å; F723-T727 PolarHBondContact O-N 2.97Å; F723-T727 PolarHBondContact O-OG1 3.44Å; Y724-T727 PolarHBondContact O-N 3.3Å; T727-K729 VanDerWaalsContact C-N 3.35Å; T727-K729 PolarHBondContact O-N 2.66Å; T727-D853 HydrophobicContact CG2-CB 4.38Å; T727-L854 HydrophobicContact CG2-CD1 4.46Å
728V93.6Very high91.9Very high1 Ų141.8 Ų41.81%0.00622%0.224CC..Hα-helixtrans-85.4-3.4-174.9-55.10000114.5Y724 N730 R731 L732 A745 L749Y724-V728 HydrophobicContact CD1-CG2 4.37Å; Y724-V728 HydrophobicContact CD2-CG1 3.93Å; Y724-V728 HydrophobicContact CE1-CG1 4.36Å; Y724-V728 HydrophobicContact CE1-CG2 4.19Å; Y724-V728 HydrophobicContact CE2-CG1 3.46Å; Y724-V728 VanDerWaalsContact CE2-CG1 3.46Å; Y724-V728 WeakPolarHBondContact O-CG2 3.42Å; Y724-V728 PolarHBondContact O-N 2.64Å; V728-N730 PolarHBondContact O-N 3.37Å; V728-N730 VanDerWaalsContact O-N 3.09Å; V728-R731 PolarHBondContact O-N 3.44Å; V728-L732 HydrophobicContact CG2-CD1 3.79Å; V728-L732 HydrophobicContact CG2-CG 4.25Å; V728-L732 WeakPolarHBondContact O-CG 3.34Å; V728-L732 PolarHBondContact O-N 3.3Å; V728-L732 VanDerWaalsContact O-N 3.09Å; V728-A745 HydrophobicContact CB-CB 4Å; V728-A745 HydrophobicContact CG1-CB 4.35Å; V728-A745 HydrophobicContact CG2-CB 4.22Å; V728-L749 HydrophobicContact CG2-CD1 4.5Å
729K90.8Very high91.7Very high111 Ų11141.4 Ų41.448%0.48322%0.218SC..Hα-helixtrans-50.4-40-178.1-167.4173.9178.41790112.4C725 T727 L732 Y733C725-K729 WeakPolarHBondContact O-CB 3.25Å; C725-K729 PolarHBondContact O-N 3.31Å; T727-K729 VanDerWaalsContact C-N 3.35Å; T727-K729 PolarHBondContact O-N 2.66Å; K729-L732 PolarHBondContact O-N 3.09Å; K729-Y733 HydrophobicContact CG-CD2 3.88Å; K729-Y733 HydrophobicContact CG-CE2 3.94Å; K729-Y733 WeakPolarHBondContact O-CD2 3.32Å; K729-Y733 PolarHBondContact O-N 2.83Å; K729-Y733 VanDerWaalsContact O-N 3.17Å
730N85.7Confident91.5Very high26 Ų2644 Ų4414%0.13923%0.234CC..Hα-helixtrans-65.7-46.7-178.5-66.5-32.2000111.7V728 L732 Y733 C734 D853 R890V728-N730 PolarHBondContact O-N 3.37Å; V728-N730 VanDerWaalsContact O-N 3.09Å; N730-L732 VanDerWaalsContact C-N 3.28Å; N730-L732 PolarHBondContact O-N 2.81Å; N730-Y733 PolarHBondContact O-N 2.88Å; N730-C734 WeakPolarHBondContact O-CA 3.4Å; N730-C734 WeakPolarHBondContact O-CB 3.23Å; N730-C734 PolarHBondContact O-N 3.41Å; N730-C734 PolarHBondContact O-SG 2.88Å; N730-D853 PolarHBondContact ND2-OD1 3.17Å; N730-R890 PolarHBondContact ND2-NH1 3.35Å
731R90.1Very high91.1Very high18 Ų1848.5 Ų48.57%0.06826%0.255CS..Hα-helixtrans-59.6-39.7177.4-68.3166.348.3-157.4-8.7111.9S679 D682 V728 C735 E741 S744S679-R731 PolarHBondContact OG-NH1 3.19Å; D682-R731 IonicContact OD1-CZ 2.83Å; D682-R731 IonicContact OD1-NH1 2.68Å; D682-R731 PolarHBondContact OD1-NH1 2.95Å; D682-R731 IonicContact OD1-NH2 3.48Å; D682-R731 PolarHBondContact OD1-NH2 3.42Å; D682-R731 IonicContact OD2-CZ 3.56Å; D682-R731 IonicContact OD2-NH1 2.74Å; D682-R731 PolarHBondContact OD2-NH1 3.33Å; D682-R731 IonicContact OD2-NH2 3.5Å; D682-R731 PolarHBondContact OD2-NH2 2.96Å; V728-R731 PolarHBondContact O-N 3.44Å; R731-C735 WeakPolarHBondContact O-CB 3.21Å; R731-E741 HydrophobicContact CG-CB 4.35Å; R731-E741 PolarHBondContact NE-O 3.14Å; R731-E741 PolarHBondContact NH2-O 3.04Å; R731-S744 PolarHBondContact NH2-OG 3.1Å
732L91.6Very high90.9Very high11 Ų1147.8 Ų47.86%0.05825%0.247CC..Hα-helixtrans-67.9-40.7-179.3-67.7172000114V662 V728 K729 N730 R742 A745 Q746 L749V662-L732 HydrophobicContact CB-CD1 4.26Å; V662-L732 HydrophobicContact CG1-CD1 4.14Å; V728-L732 HydrophobicContact CG2-CD1 3.79Å; V728-L732 HydrophobicContact CG2-CG 4.25Å; V728-L732 WeakPolarHBondContact O-CG 3.34Å; V728-L732 PolarHBondContact O-N 3.3Å; V728-L732 VanDerWaalsContact O-N 3.09Å; K729-L732 PolarHBondContact O-N 3.09Å; N730-L732 VanDerWaalsContact C-N 3.28Å; N730-L732 PolarHBondContact O-N 2.81Å; L732-R742 PolarHBondContact O-NE 3.27Å; L732-A745 HydrophobicContact CD2-CB 3.8Å; L732-A745 HydrophobicContact CG-CB 4.25Å; L732-Q746 HydrophobicContact CD2-CG 3.77Å; L732-L749 HydrophobicContact CD1-CD1 3.72Å; L732-L749 HydrophobicContact CD2-CD1 4.16Å
733Y87.6Confident90.9Very high124 Ų12444 Ų4449%0.48622%0.224SC..Hα-helixtrans-98.2-28.2-171.9-74.4-101.6000113.5F658 V662 K729 N730 R887F658-Y733 HydrophobicContact CE2-CE2 4.21Å; F658-Y733 VanDerWaalsContact CE2-OH 3.29Å; F658-Y733 WeakPolarHBondContact CE2-OH 3.47Å; F658-Y733 HydrophobicContact CZ-CE2 4.29Å; V662-Y733 HydrophobicContact CG1-CE2 4.31Å; K729-Y733 HydrophobicContact CG-CD2 3.88Å; K729-Y733 HydrophobicContact CG-CE2 3.94Å; K729-Y733 WeakPolarHBondContact O-CD2 3.32Å; K729-Y733 PolarHBondContact O-N 2.83Å; K729-Y733 VanDerWaalsContact O-N 3.17Å; N730-Y733 PolarHBondContact O-N 2.88Å; Y733-R887 PolarHBondContact O-NH2 3.07Å
734C86.9Confident90.9Very high15 Ų1543.1 Ų43.110%0.10122%0.221CC..Hα-helixtrans-104.9-32.5-167.1-54.60000113.7N730 R887 C888 A906N730-C734 WeakPolarHBondContact O-CA 3.4Å; N730-C734 WeakPolarHBondContact O-CB 3.23Å; N730-C734 PolarHBondContact O-N 3.41Å; N730-C734 PolarHBondContact O-SG 2.88Å; C734-R887 PolarHBondContact O-NH1 2.89Å; C734-C888 HydrophobicContact CB-CB 4.2Å; C734-C888 WeakPolarHBondContact SG-CB 3.46Å; C734-A906 WeakPolarHBondContact O-CB 3.35Å
735C88Confident90.8Very high25 Ų2543.1 Ų43.117%0.16922%0.221CC..SBendtrans-75.1158.6-178.7-61.30000112.1R731 S739 R742R731-C735 WeakPolarHBondContact O-CB 3.21Å; C735-S739 WeakPolarHBondContact CB-OG 3.43Å; C735-R742 HydrophobicContact CB-CB 4.27Å
736P88.1Confident90.8Very high30 Ų3042.6 Ų42.620%0.19522%0.217CC..  trans-54.8149.9172.8-24.332.9000112.7S738 S739 E905 A906P736-S738 VanDerWaalsContact C-N 3.28Å; P736-S738 PolarHBondContact O-N 3.28Å; P736-S739 WeakPolarHBondContact O-CB 3.41Å; P736-S739 PolarHBondContact O-N 2.89Å; P736-S739 PolarHBondContact O-OG 2.77Å; P736-E905 HydrophobicContact CG-CB 3.89Å; P736-A906 HydrophobicContact CG-CB 4.43Å
737K86.8Confident91Very high142 Ų14240 Ų4062%0.61720%0.201SC*.THydrogen-bonded Turntrans-53.6-41.9-175.3-76.3-172.3174.4-174.90113.8R742 R743K737-R742 PolarHBondContact O-NH1 2.7Å; K737-R743 PolarHBondContact O-NE 3.5Å
738S88.3Confident91.1Very high100 Ų10039.8 Ų39.870%0.69920%0.2SC*.THydrogen-bonded Turntrans-95.56.8-178.454.60000114.3P736P736-S738 VanDerWaalsContact C-N 3.28Å; P736-S738 PolarHBondContact O-N 3.28Å
739S91.2Very high91.2Very high15 Ų1539.8 Ų39.811%0.10520%0.2CC..  trans-64.7141.6179.762.10000111.6C735 P736 E741 R742 R743C735-S739 WeakPolarHBondContact CB-OG 3.43Å; P736-S739 WeakPolarHBondContact O-CB 3.41Å; P736-S739 PolarHBondContact O-N 2.89Å; P736-S739 PolarHBondContact O-OG 2.77Å; S739-E741 WeakPolarHBondContact CB-OE2 3.43Å; S739-E741 PolarHBondContact O-N 3.39Å; S739-R742 PolarHBondContact O-N 3.18Å; S739-R742 VanDerWaalsContact O-N 3.11Å; S739-R742 WeakPolarHBondContact OG-CB 3.35Å; S739-R742 PolarHBondContact OG-N 2.85Å; S739-R743 WeakPolarHBondContact O-CG 3.23Å; S739-R743 PolarHBondContact O-N 2.86Å
740V91.5Very high91.4Very high72 Ų7235.7 Ų35.744%0.43618%0.183SC..Hα-helixtrans-60.2-37.4178.9178.20000110.1H677 R742 R743 S744H677-V740 HydrophobicContact CB-CG1 3.93Å; V740-R742 VanDerWaalsContact C-N 3.33Å; V740-R742 PolarHBondContact O-N 2.85Å; V740-R743 PolarHBondContact O-N 3.28Å; V740-S744 WeakPolarHBondContact O-CB 3.42Å; V740-S744 PolarHBondContact O-N 2.58Å
741E90.4Very high91.7Very high94 Ų9436.5 Ų36.544%0.43919%0.187SC..Hα-helixtrans-61.3-41177.3-5984.116900111.6R731 S739R731-E741 HydrophobicContact CG-CB 4.35Å; R731-E741 PolarHBondContact NE-O 3.14Å; R731-E741 PolarHBondContact NH2-O 3.04Å; S739-E741 WeakPolarHBondContact CB-OE2 3.43Å; S739-E741 PolarHBondContact O-N 3.39Å
742R93Very high92Very high20 Ų2035.6 Ų35.68%0.07518%0.184CC..Hα-helixtrans-72.4-46.3176-176.3174-179.2-97.8-3.2111.5D665 L732 C735 K737 S739 V740 S744 A745 Q746D665-R742 IonicContact OD1-CZ 3.52Å; D665-R742 IonicContact OD1-NH1 2.81Å; D665-R742 PolarHBondContact OD1-NH1 3.44Å; D665-R742 IonicContact OD1-NH2 2.75Å; D665-R742 PolarHBondContact OD1-NH2 2.89Å; D665-R742 IonicContact OD2-CZ 3.31Å; D665-R742 VanDerWaalsContact OD2-CZ 3.31Å; D665-R742 IonicContact OD2-NH1 3.41Å; D665-R742 PolarHBondContact OD2-NH1 3.03Å; D665-R742 IonicContact OD2-NH2 2.94Å; D665-R742 PolarHBondContact OD2-NH2 3.44Å; L732-R742 PolarHBondContact O-NE 3.27Å; C735-R742 HydrophobicContact CB-CB 4.27Å; K737-R742 PolarHBondContact O-NH1 2.7Å; S739-R742 PolarHBondContact O-N 3.18Å; S739-R742 VanDerWaalsContact O-N 3.11Å; S739-R742 WeakPolarHBondContact OG-CB 3.35Å; S739-R742 PolarHBondContact OG-N 2.85Å; V740-R742 VanDerWaalsContact C-N 3.33Å; V740-R742 PolarHBondContact O-N 2.85Å; R742-S744 VanDerWaalsContact C-N 3.34Å; R742-S744 PolarHBondContact O-N 3.07Å; R742-A745 PolarHBondContact O-N 3.24Å; R742-Q746 VanDerWaalsContact NH2-NE2 3.19Å; R742-Q746 PolarHBondContact O-N 2.86Å
743R94.8Very high92.1Very high30 Ų3035.3 Ų35.311%0.11318%0.182CC..Hα-helixtrans-66.7-33.6-177.3-66.8-45.3-162.1-175.86.2112.9D665 D671 C673 K737 S739 V740 A745 Q746 T747D665-R743 PolarHBondContact O-NH1 3.45Å; D665-R743 PolarHBondContact O-NH2 3.16Å; D671-R743 IonicContact OD1-CZ 3.22Å; D671-R743 IonicContact OD1-NE 3.87Å; D671-R743 PolarHBondContact OD1-NE 3.48Å; D671-R743 VanDerWaalsContact OD1-NE 3.08Å; D671-R743 IonicContact OD1-NH2 2.96Å; D671-R743 PolarHBondContact OD1-NH2 3.1Å; D671-R743 IonicContact OD2-CZ 2.64Å; D671-R743 VanDerWaalsContact OD2-CZ 3.22Å; D671-R743 IonicContact OD2-NE 3.45Å; D671-R743 IonicContact OD2-NH1 2.71Å; D671-R743 PolarHBondContact OD2-NH1 2.76Å; D671-R743 IonicContact OD2-NH2 3.07Å; D671-R743 PolarHBondContact OD2-NH2 3.31Å; C673-R743 WeakPolarHBondContact SG-CB 3.18Å; K737-R743 PolarHBondContact O-NE 3.5Å; S739-R743 WeakPolarHBondContact O-CG 3.23Å; S739-R743 PolarHBondContact O-N 2.86Å; V740-R743 PolarHBondContact O-N 3.28Å; R743-A745 PolarHBondContact O-N 2.88Å; R743-Q746 VanDerWaalsContact CD-OE1 3.31Å; R743-Q746 PolarHBondContact O-N 3.3Å; R743-T747 WeakPolarHBondContact O-CB 3.19Å; R743-T747 PolarHBondContact O-N 3.48Å; R743-T747 PolarHBondContact O-OG1 3.08Å
744S94.5Very high92.4Very high2 Ų230.1 Ų30.11%0.01416%0.164CC..Hα-helixtrans-58.3-48171.9177.40000110.9C673 L678 S679 D682 R731 V740 R742 T747 V748C673-S744 PolarHBondContact SG-N 3.1Å; C673-S744 VanDerWaalsContact SG-N 3.38Å; L678-S744 WeakPolarHBondContact CA-OG 3.13Å; L678-S744 WeakPolarHBondContact CD2-OG 3.43Å; S679-S744 PolarHBondContact N-OG 3.48Å; D682-S744 WeakPolarHBondContact OD2-CB 3.45Å; D682-S744 PolarHBondContact OD2-OG 2.88Å; R731-S744 PolarHBondContact NH2-OG 3.1Å; V740-S744 WeakPolarHBondContact O-CB 3.42Å; V740-S744 PolarHBondContact O-N 2.58Å; R742-S744 VanDerWaalsContact C-N 3.34Å; R742-S744 PolarHBondContact O-N 3.07Å; S744-T747 PolarHBondContact O-N 2.84Å; S744-V748 PolarHBondContact O-N 3.04Å
745A95.1Very high92.8Very high0 Ų030 Ų300%016%0.162CC..Hα-helixtrans-66.4-43.8179.900000111.3D682 V728 L732 R742 R743 V748 L749D682-A745 PolarHBondContact OD2-N 3.05Å; V728-A745 HydrophobicContact CB-CB 4Å; V728-A745 HydrophobicContact CG1-CB 4.35Å; V728-A745 HydrophobicContact CG2-CB 4.22Å; L732-A745 HydrophobicContact CD2-CB 3.8Å; L732-A745 HydrophobicContact CG-CB 4.25Å; R742-A745 PolarHBondContact O-N 3.24Å; R743-A745 PolarHBondContact O-N 2.88Å; A745-V748 PolarHBondContact O-N 2.96Å; A745-L749 WeakPolarHBondContact O-CB 3.46Å; A745-L749 VanDerWaalsContact O-CG 3.29Å; A745-L749 WeakPolarHBondContact O-CG 3.36Å; A745-L749 PolarHBondContact O-N 2.84Å
746Q95.5Very high93.3Very high0 Ų028.8 Ų28.80%015%0.154CC..Hα-helixtrans-64.2-38.2177.8-70.9-178-54.200112.3V662 L663 D665 F666 L732 R742 R743 V748 L749 H750V662-Q746 PolarHBondContact O-NE2 2.92Å; L663-Q746 HydrophobicContact CD2-CB 3.96Å; L663-Q746 HydrophobicContact CD2-CG 4.29Å; L663-Q746 WeakPolarHBondContact CD2-O 3.38Å; D665-Q746 PolarHBondContact OD1-NE2 3.06Å; F666-Q746 HydrophobicContact CB-CB 4.38Å; F666-Q746 HydrophobicContact CD2-CB 3.38Å; F666-Q746 HydrophobicContact CD2-CG 4.27Å; F666-Q746 HydrophobicContact CE2-CB 3.72Å; F666-Q746 HydrophobicContact CG-CB 3.92Å; L732-Q746 HydrophobicContact CD2-CG 3.77Å; R742-Q746 VanDerWaalsContact NH2-NE2 3.19Å; R742-Q746 PolarHBondContact O-N 2.86Å; R743-Q746 VanDerWaalsContact CD-OE1 3.31Å; R743-Q746 PolarHBondContact O-N 3.3Å; Q746-V748 PolarHBondContact O-N 2.6Å; Q746-L749 PolarHBondContact O-N 3.05Å; Q746-H750 VanDerWaalsContact O-CB 3.25Å; Q746-H750 WeakPolarHBondContact O-CB 3.21Å; Q746-H750 PolarHBondContact O-N 2.92Å
747T94.8Very high93.7Very high0 Ų027.3 Ų27.30%015%0.145CC..Hα-helixtrans-57.2-50.3175.7-62.50000110.8C673 L678 R743 S744 H750 N751C673-T747 PolarHBondContact N-OG1 2.85Å; L678-T747 HydrophobicContact CD2-CG2 4.38Å; R743-T747 WeakPolarHBondContact O-CB 3.19Å; R743-T747 PolarHBondContact O-N 3.48Å; R743-T747 PolarHBondContact O-OG1 3.08Å; S744-T747 PolarHBondContact O-N 2.84Å; T747-H750 WeakPolarHBondContact O-CB 3.45Å; T747-H750 PolarHBondContact O-N 2.83Å; T747-N751 VanDerWaalsContact O-CG 3.32Å; T747-N751 PolarHBondContact O-N 3.2Å; T747-N751 VanDerWaalsContact O-N 3.09Å; T747-N751 PolarHBondContact O-ND2 3.47Å
748V94.7Very high94.2Very high0 Ų022.8 Ų22.80%012%0.124CC..Hα-helixtrans-66.6-43.3177.9173.30000112.1L678 D682 M685 H686 Y724 S744 A745 Q746 H750 N751 V752L678-V748 HydrophobicContact CD1-CG2 4.38Å; L678-V748 HydrophobicContact CD2-CG2 4.17Å; D682-V748 HydrophobicContact CB-CG2 3.61Å; M685-V748 HydrophobicContact CB-CG1 3.89Å; M685-V748 HydrophobicContact CG-CG1 3.8Å; H686-V748 WeakPolarHBondContact NE2-CG2 3.46Å; Y724-V748 HydrophobicContact CE1-CB 4.21Å; Y724-V748 HydrophobicContact CE1-CG1 3.65Å; Y724-V748 HydrophobicContact CE2-CG1 4.39Å; Y724-V748 VanDerWaalsContact OH-CB 3.22Å; Y724-V748 WeakPolarHBondContact OH-CB 3.43Å; Y724-V748 WeakPolarHBondContact OH-CG1 3.41Å; S744-V748 PolarHBondContact O-N 3.04Å; A745-V748 PolarHBondContact O-N 2.96Å; Q746-V748 PolarHBondContact O-N 2.6Å; V748-H750 VanDerWaalsContact C-N 3.29Å; V748-H750 PolarHBondContact O-N 3.47Å; V748-N751 PolarHBondContact O-N 2.89Å; V748-V752 HydrophobicContact CG1-CG2 4.18Å; V748-V752 WeakPolarHBondContact O-CB 3.33Å; V748-V752 VanDerWaalsContact O-CG2 3.27Å; V748-V752 WeakPolarHBondContact O-CG2 3.42Å; V748-V752 PolarHBondContact O-N 3.49Å
749L95.8Very high94.6Very high0 Ų018 Ų180%09%0.091CC..Hα-helixtrans-63.1-36177.8-71.8179.6000112.6L659 V662 L663 Y724 V728 L732 A745 Q746 V752 V753L659-L749 HydrophobicContact CD2-CB 4.47Å; L659-L749 HydrophobicContact CD2-CD1 4.35Å; L659-L749 HydrophobicContact CD2-CD2 3.69Å; L659-L749 HydrophobicContact CD2-CG 4.4Å; V662-L749 HydrophobicContact CG2-CD1 3.77Å; L663-L749 HydrophobicContact CD2-CB 4.28Å; Y724-L749 HydrophobicContact CD1-CD2 3.47Å; Y724-L749 VanDerWaalsContact CD1-CD2 3.47Å; Y724-L749 HydrophobicContact CD1-CG 4.32Å; Y724-L749 HydrophobicContact CE1-CD2 3.4Å; Y724-L749 HydrophobicContact CE1-CG 3.76Å; V728-L749 HydrophobicContact CG2-CD1 4.5Å; L732-L749 HydrophobicContact CD1-CD1 3.72Å; L732-L749 HydrophobicContact CD2-CD1 4.16Å; A745-L749 WeakPolarHBondContact O-CB 3.46Å; A745-L749 VanDerWaalsContact O-CG 3.29Å; A745-L749 WeakPolarHBondContact O-CG 3.36Å; A745-L749 PolarHBondContact O-N 2.84Å; Q746-L749 PolarHBondContact O-N 3.05Å; L749-V752 PolarHBondContact O-N 3.27Å; L749-V753 WeakPolarHBondContact O-CB 3.47Å; L749-V753 WeakPolarHBondContact O-CG1 3.24Å; L749-V753 PolarHBondContact O-N 3.25Å
750H94.3Very high94.9Very high26 Ų2617.3 Ų17.312%0.129%0.086CC..Hα-helixtrans-61.8-46.9173.1173-91000111L663 F666 P668 Q746 T747 V748 V753 S754 V778L663-H750 HydrophobicContact CD1-CB 4.33Å; L663-H750 HydrophobicContact CD2-CB 4.14Å; F666-H750 HydrophobicContact CD1-CB 4.04Å; F666-H750 HydrophobicContact CE1-CB 3.68Å; F666-H750 AromaticContact CE1-CG 3.81Å; P668-H750 VanDerWaalsContact CG-NE2 3.27Å; P668-H750 WeakPolarHBondContact CG-NE2 3.34Å; Q746-H750 VanDerWaalsContact O-CB 3.25Å; Q746-H750 WeakPolarHBondContact O-CB 3.21Å; Q746-H750 PolarHBondContact O-N 2.92Å; T747-H750 WeakPolarHBondContact O-CB 3.45Å; T747-H750 PolarHBondContact O-N 2.83Å; V748-H750 VanDerWaalsContact C-N 3.29Å; V748-H750 PolarHBondContact O-N 3.47Å; H750-V753 WeakPolarHBondContact O-CG1 3.24Å; H750-V753 PolarHBondContact O-N 3.41Å; H750-S754 VanDerWaalsContact O-CB 3.26Å; H750-S754 WeakPolarHBondContact O-CB 3.32Å; H750-S754 PolarHBondContact O-N 3.36Å; H750-V778 WeakPolarHBondContact NE2-CG2 3.49Å
751N93.1Very high95.1Very high42 Ų4214.1 Ų14.123%0.2257%0.067CC..Hα-helixtrans-64.5-42.7177.1-66.7-14.2000111.8H686 L689 T747 V748 T755H686-N751 PolarHBondContact CE1-ND2 2.73Å; H686-N751 VanDerWaalsContact CE1-ND2 3.3Å; H686-N751 PolarHBondContact NE2-ND2 2.92Å; L689-N751 HydrophobicContact CD2-CB 4.19Å; T747-N751 VanDerWaalsContact O-CG 3.32Å; T747-N751 PolarHBondContact O-N 3.2Å; T747-N751 VanDerWaalsContact O-N 3.09Å; T747-N751 PolarHBondContact O-ND2 3.47Å; V748-N751 PolarHBondContact O-N 2.89Å; N751-T755 VanDerWaalsContact O-CB 3.28Å; N751-T755 WeakPolarHBondContact O-CB 3.45Å; N751-T755 PolarHBondContact O-N 2.88Å; N751-T755 PolarHBondContact O-OG1 2.82Å; N751-T755 VanDerWaalsContact O-OG1 3.13Å
752V95.5Very high95.4Very high0 Ų09.7 Ų9.70%05%0.046CC..Hα-helixtrans-58.4-51.3175.8166.10000110.8M685 L689 F715 V720 V748 L749 Y756M685-V752 HydrophobicContact CE-CG2 4.14Å; M685-V752 HydrophobicContact CG-CG2 4.23Å; L689-V752 HydrophobicContact CD1-CG2 4.27Å; L689-V752 HydrophobicContact CD2-CG2 4.14Å; F715-V752 HydrophobicContact CE1-CG1 4.26Å; V720-V752 HydrophobicContact CG1-CG1 4.05Å; V720-V752 HydrophobicContact CG2-CG1 3.6Å; V748-V752 HydrophobicContact CG1-CG2 4.18Å; V748-V752 WeakPolarHBondContact O-CB 3.33Å; V748-V752 VanDerWaalsContact O-CG2 3.27Å; V748-V752 WeakPolarHBondContact O-CG2 3.42Å; V748-V752 PolarHBondContact O-N 3.49Å; L749-V752 PolarHBondContact O-N 3.27Å; V752-Y756 WeakPolarHBondContact O-CB 3.29Å; V752-Y756 PolarHBondContact O-N 2.9Å
753V95.4Very high95.7Very high4 Ų48.7 Ų8.72%0.0244%0.043CC..Hα-helixtrans-71.7-38.5-17578.10000112.2L656 L659 L663 L749 H750 Y756 V757 Y771L656-V753 HydrophobicContact CD2-CG2 3.74Å; L659-V753 HydrophobicContact CB-CB 4.45Å; L659-V753 HydrophobicContact CB-CG2 4.14Å; L659-V753 HydrophobicContact CD1-CB 3.94Å; L659-V753 HydrophobicContact CD1-CG2 3.78Å; L663-V753 HydrophobicContact CD1-CG1 3.75Å; L749-V753 WeakPolarHBondContact O-CB 3.47Å; L749-V753 WeakPolarHBondContact O-CG1 3.24Å; L749-V753 PolarHBondContact O-N 3.25Å; H750-V753 WeakPolarHBondContact O-CG1 3.24Å; H750-V753 PolarHBondContact O-N 3.41Å; V753-Y756 PolarHBondContact O-N 3.24Å; V753-V757 HydrophobicContact CG2-CG2 4.06Å; V753-V757 VanDerWaalsContact O-CB 3.28Å; V753-V757 WeakPolarHBondContact O-CB 3.38Å; V753-V757 WeakPolarHBondContact O-CG2 3.3Å; V753-V757 PolarHBondContact O-N 3.38Å; V753-Y771 HydrophobicContact CG1-CE1 4.4Å; V753-Y771 WeakPolarHBondContact CG1-OH 3.47Å; V753-Y771 HydrophobicContact CG2-CE1 3.79Å; V753-Y771 HydrophobicContact CG2-CE2 3.9Å; V753-Y771 WeakPolarHBondContact CG2-OH 3.36Å
754S93.6Very high95.8Very high15 Ų157.3 Ų7.311%0.1054%0.037CC..Hα-helixtrans-60.1-50.7175.4-178.90000111.2H750 R758 V778H750-S754 VanDerWaalsContact O-CB 3.26Å; H750-S754 WeakPolarHBondContact O-CB 3.32Å; H750-S754 PolarHBondContact O-N 3.36Å; S754-R758 WeakPolarHBondContact O-CD 3.42Å; S754-R758 VanDerWaalsContact O-CG 3.26Å; S754-R758 WeakPolarHBondContact O-CG 3.32Å; S754-R758 PolarHBondContact O-N 3.09Å; S754-V778 WeakPolarHBondContact OG-CG1 3.44Å
755T95.5Very high95.8Very high12 Ų127.6 Ų7.67%0.0744%0.039CC..Hα-helixtrans-65.3-43.8177.8-670000111.9L689 I693 N751 R758 S759 P789L689-T755 HydrophobicContact CD1-CG2 3.71Å; L689-T755 HydrophobicContact CD2-CG2 4.46Å; L689-T755 HydrophobicContact CG-CG2 4.1Å; I693-T755 HydrophobicContact CB-CG2 4.11Å; I693-T755 HydrophobicContact CD1-CG2 4.32Å; I693-T755 HydrophobicContact CG1-CG2 4.21Å; N751-T755 VanDerWaalsContact O-CB 3.28Å; N751-T755 WeakPolarHBondContact O-CB 3.45Å; N751-T755 PolarHBondContact O-N 2.88Å; N751-T755 PolarHBondContact O-OG1 2.82Å; N751-T755 VanDerWaalsContact O-OG1 3.13Å; T755-R758 PolarHBondContact O-N 2.98Å; T755-S759 VanDerWaalsContact O-CB 3.29Å; T755-S759 WeakPolarHBondContact O-CB 3.37Å; T755-S759 PolarHBondContact O-N 2.97Å; T755-S759 PolarHBondContact O-OG 3.37Å; T755-P789 HydrophobicContact CG2-CB 3.88Å; T755-P789 HydrophobicContact CG2-CG 3.95Å
756Y97.2Very high95.7Very high0 Ų08.1 Ų8.10%04%0.042CC..Hα-helixtrans-63.3-50.6-178.9-175.6-98.4000111.7I652 L656 Y692 A712 F715 I716 V752 V753 R758 S759 I760I652-Y756 HydrophobicContact CG2-CE1 3.98Å; L656-Y756 HydrophobicContact CD2-CD1 4.11Å; L656-Y756 HydrophobicContact CD2-CE1 4.48Å; Y692-Y756 HydrophobicContact CE1-CD2 4.14Å; Y692-Y756 AromaticContact CZ-CD2 3.99Å; A712-Y756 HydrophobicContact CB-CE2 4.2Å; A712-Y756 WeakPolarHBondContact O-CE2 3.3Å; A712-Y756 PolarHBondContact O-OH 3.39Å; F715-Y756 AromaticContact CD1-CD2 3.95Å; F715-Y756 HydrophobicContact CD1-CD2 3.95Å; F715-Y756 HydrophobicContact CD1-CE2 4.4Å; F715-Y756 HydrophobicContact CE1-CD2 4.41Å; I716-Y756 HydrophobicContact CB-CD2 4.45Å; I716-Y756 HydrophobicContact CB-CE1 4.25Å; I716-Y756 HydrophobicContact CB-CE2 3.71Å; I716-Y756 HydrophobicContact CD1-CD1 3.99Å; I716-Y756 HydrophobicContact CD1-CD2 4.34Å; I716-Y756 HydrophobicContact CD1-CE1 3.94Å; I716-Y756 HydrophobicContact CD1-CE2 4.31Å; I716-Y756 HydrophobicContact CD1-CG 4.18Å; I716-Y756 HydrophobicContact CG1-CE1 3.98Å; I716-Y756 HydrophobicContact CG1-CE2 4.28Å; I716-Y756 HydrophobicContact CG2-CE2 4.36Å; I716-Y756 WeakPolarHBondContact CG2-OH 3.46Å; V752-Y756 WeakPolarHBondContact O-CB 3.29Å; V752-Y756 PolarHBondContact O-N 2.9Å; V753-Y756 PolarHBondContact O-N 3.24Å; Y756-R758 VanDerWaalsContact C-N 3.33Å; Y756-R758 PolarHBondContact O-N 3.17Å; Y756-S759 WeakPolarHBondContact CA-OG 3.44Å; Y756-S759 PolarHBondContact O-N 2.99Å; Y756-S759 VanDerWaalsContact O-N 3.09Å; Y756-S759 PolarHBondContact O-OG 3.48Å; Y756-I760 HydrophobicContact CD1-CD1 4.31Å; Y756-I760 HydrophobicContact CD1-CG2 4.43Å; Y756-I760 HydrophobicContact CE1-CD1 3.86Å; Y756-I760 HydrophobicContact CE1-CG1 4.48Å; Y756-I760 HydrophobicContact CE1-CG2 3.95Å; Y756-I760 HydrophobicContact CE2-CG2 4.02Å; Y756-I760 WeakPolarHBondContact O-CG1 3.38Å; Y756-I760 PolarHBondContact O-N 3.33Å
757V97Very high95.7Very high0 Ų08.3 Ų8.30%04%0.043CC..Hα-helixtrans-58.7-43.6179.81690000111.2L656 V753 I760 A761 A768 Y771 F779 V783L656-V757 HydrophobicContact CD2-CG2 3.87Å; V753-V757 HydrophobicContact CG2-CG2 4.06Å; V753-V757 VanDerWaalsContact O-CB 3.28Å; V753-V757 WeakPolarHBondContact O-CB 3.38Å; V753-V757 WeakPolarHBondContact O-CG2 3.3Å; V753-V757 PolarHBondContact O-N 3.38Å; V757-I760 WeakPolarHBondContact O-CG1 3.17Å; V757-I760 PolarHBondContact O-N 2.66Å; V757-A761 PolarHBondContact O-N 3.27Å; V757-A761 VanDerWaalsContact O-N 3.14Å; V757-A768 HydrophobicContact CG1-CB 3.93Å; V757-Y771 HydrophobicContact CB-CD1 4.48Å; V757-Y771 HydrophobicContact CG1-CD1 4.28Å; V757-Y771 HydrophobicContact CG2-CD1 3.65Å; V757-Y771 HydrophobicContact CG2-CE1 4.09Å; V757-Y771 HydrophobicContact CG2-CG 3.94Å; V757-F779 HydrophobicContact CB-CE1 3.97Å; V757-F779 HydrophobicContact CB-CZ 3.82Å; V757-F779 HydrophobicContact CG1-CE1 3.82Å; V757-F779 HydrophobicContact CG1-CE2 4.42Å; V757-F779 HydrophobicContact CG1-CZ 3.74Å; V757-F779 HydrophobicContact CG2-CZ 4.35Å; V757-V783 HydrophobicContact CG1-CG1 4.11Å; V757-V783 HydrophobicContact CG1-CG2 4.18Å
758R96.3Very high95.7Very high47 Ų478.3 Ų8.318%0.1774%0.043CC..Hα-helixtrans-65.2-40.1175.1-66.4166.268-164.95.5112.2M69 S754 T755 Y756 I760 A761 F779 V783 S786 G787 W788 P789M69-R758 HydrophobicContact CE-CB 4.15Å; M69-R758 VanDerWaalsContact CE-O 3.28Å; M69-R758 WeakPolarHBondContact CE-O 3.47Å; S754-R758 WeakPolarHBondContact O-CD 3.42Å; S754-R758 VanDerWaalsContact O-CG 3.26Å; S754-R758 WeakPolarHBondContact O-CG 3.32Å; S754-R758 PolarHBondContact O-N 3.09Å; T755-R758 PolarHBondContact O-N 2.98Å; Y756-R758 VanDerWaalsContact C-N 3.33Å; Y756-R758 PolarHBondContact O-N 3.17Å; R758-I760 VanDerWaalsContact C-N 3.34Å; R758-I760 PolarHBondContact O-N 2.69Å; R758-A761 WeakPolarHBondContact O-CB 3.13Å; R758-A761 PolarHBondContact O-N 3.13Å; R758-F779 HydrophobicContact CG-CD1 3.96Å; R758-F779 HydrophobicContact CG-CE1 3.92Å; R758-V783 HydrophobicContact CB-CG1 4.45Å; R758-V783 HydrophobicContact CG-CG1 3.98Å; R758-S786 WeakPolarHBondContact CG-OG 3.41Å; R758-S786 PolarHBondContact NE-OG 3.31Å; R758-S786 PolarHBondContact NH2-O 2.89Å; R758-G787 PolarHBondContact NE-O 3.18Å; R758-G787 PolarHBondContact NH2-O 2.94Å; R758-W788 VanDerWaalsContact NH2-C 3.29Å; R758-W788 PolarHBondContact NH2-O 2.95Å; R758-P789 HydrophobicContact CB-CB 4.36Å; R758-P789 HydrophobicContact CB-CG 4.08Å; R758-P789 VanDerWaalsContact CZ-CA 3.47Å
759S97.3Very high95.6Very high0 Ų08.8 Ų8.80%05%0.045CC..Hα-helixtrans-68-30.1-179.371.70000113.9Y692 T755 Y756Y692-S759 PolarHBondContact OH-OG 3.3Å; T755-S759 VanDerWaalsContact O-CB 3.29Å; T755-S759 WeakPolarHBondContact O-CB 3.37Å; T755-S759 PolarHBondContact O-N 2.97Å; T755-S759 PolarHBondContact O-OG 3.37Å; Y756-S759 WeakPolarHBondContact CA-OG 3.44Å; Y756-S759 PolarHBondContact O-N 2.99Å; Y756-S759 VanDerWaalsContact O-N 3.09Å; Y756-S759 PolarHBondContact O-OG 3.48Å
760I97.7Very high95.4Very high0 Ų010.1 Ų10.10%05%0.051CC..Hα-helixtrans-88.7-16.6176.766.5167.7000112.9A712 Y756 V757 R758 P762 I763 L764 L767A712-I760 HydrophobicContact CB-CG2 4.21Å; Y756-I760 HydrophobicContact CD1-CD1 4.31Å; Y756-I760 HydrophobicContact CD1-CG2 4.43Å; Y756-I760 HydrophobicContact CE1-CD1 3.86Å; Y756-I760 HydrophobicContact CE1-CG1 4.48Å; Y756-I760 HydrophobicContact CE1-CG2 3.95Å; Y756-I760 HydrophobicContact CE2-CG2 4.02Å; Y756-I760 WeakPolarHBondContact O-CG1 3.38Å; Y756-I760 PolarHBondContact O-N 3.33Å; V757-I760 WeakPolarHBondContact O-CG1 3.17Å; V757-I760 PolarHBondContact O-N 2.66Å; R758-I760 VanDerWaalsContact C-N 3.34Å; R758-I760 PolarHBondContact O-N 2.69Å; I760-P762 VanDerWaalsContact C-CD 3.43Å; I760-P762 VanDerWaalsContact C-N 3.34Å; I760-I763 CarbonylContact O-C 3.54Å; I760-I763 WeakPolarHBondContact O-CA 3.45Å; I760-I763 WeakPolarHBondContact O-CB 3.43Å; I760-I763 PolarHBondContact O-N 2.92Å; I760-L764 HydrophobicContact CD1-CD1 4.35Å; I760-L764 PolarHBondContact O-N 3.08Å; I760-L767 HydrophobicContact CD1-CD2 4.31Å
761A96.3Very high95.3Very high5 Ų59.5 Ų9.54%0.0415%0.048CC..THydrogen-bonded Turntrans-55.7-34.4-174.500000115.2M69 V757 R758 I763 P765 A768 V783M69-A761 HydrophobicContact CE-CB 4.22Å; M69-A761 HydrophobicContact SD-CB 4.14Å; V757-A761 PolarHBondContact O-N 3.27Å; V757-A761 VanDerWaalsContact O-N 3.14Å; R758-A761 WeakPolarHBondContact O-CB 3.13Å; R758-A761 PolarHBondContact O-N 3.13Å; A761-I763 PolarHBondContact O-N 2.86Å; A761-P765 VanDerWaalsContact O-CA 3.31Å; A761-P765 WeakPolarHBondContact O-CA 3.43Å; A761-A768 HydrophobicContact CB-CB 3.79Å; A761-V783 HydrophobicContact CB-CB 4.33Å; A761-V783 HydrophobicContact CB-CG1 3.65Å
762P97.1Very high95.2Very high0 Ų09.9 Ų9.90%05%0.046CC..THydrogen-bonded Turntrans-62.1-30.3171.7-25.636.4000113.5I62 R65 M69 R622 I760 W788I62-P762 HydrophobicContact CG2-CB 4.44Å; R65-P762 HydrophobicContact CB-CB 3.84Å; R65-P762 HydrophobicContact CB-CG 4.43Å; R65-P762 WeakPolarHBondContact CD-O 3.49Å; M69-P762 HydrophobicContact SD-CG 3.66Å; R622-P762 PolarHBondContact NH2-O 3.38Å; I760-P762 VanDerWaalsContact C-CD 3.43Å; I760-P762 VanDerWaalsContact C-N 3.34Å; P762-W788 HydrophobicContact CG-CZ3 4.02Å
763I97.9Very high94.9Very high0 Ų014 Ų140%07%0.065CC..THydrogen-bonded Turntrans-93.1-48.7-175.3-55.8172.9000111I62 R622 A626 M709 I760 A761 P765I62-I763 HydrophobicContact CD1-CG1 4.44Å; I62-I763 HydrophobicContact CD1-CG2 4.41Å; I62-I763 HydrophobicContact CG1-CG1 4.45Å; I62-I763 HydrophobicContact CG2-CG1 3.97Å; R622-I763 WeakPolarHBondContact CB-O 3.25Å; R622-I763 PolarHBondContact NE-O 3.34Å; A626-I763 HydrophobicContact CB-CG2 3.38Å; M709-I763 HydrophobicContact CB-CD1 4.23Å; M709-I763 HydrophobicContact SD-CB 4.37Å; M709-I763 HydrophobicContact SD-CD1 3.8Å; M709-I763 HydrophobicContact SD-CG2 3.78Å; I760-I763 CarbonylContact O-C 3.54Å; I760-I763 WeakPolarHBondContact O-CA 3.45Å; I760-I763 WeakPolarHBondContact O-CB 3.43Å; I760-I763 PolarHBondContact O-N 2.92Å; A761-I763 PolarHBondContact O-N 2.86Å; I763-P765 VanDerWaalsContact O-CD 3.25Å; I763-P765 WeakPolarHBondContact O-CD 3.33Å
764L97Very high94.5Very high0 Ų020.3 Ų20.30%09%0.094CC..  trans-12165.4-174.2-51.5-179.3000110.3D619 L623 I652 M709 I760 N766 L767 A768D619-L764 HydrophobicContact CB-CD2 4.09Å; D619-L764 VanDerWaalsContact OD2-C 3.24Å; D619-L764 WeakPolarHBondContact OD2-CA 3.35Å; D619-L764 WeakPolarHBondContact OD2-CB 3.4Å; L623-L764 HydrophobicContact CB-CD2 3.76Å; L623-L764 HydrophobicContact CD1-CD2 4.31Å; I652-L764 HydrophobicContact CD1-CD1 4.22Å; M709-L764 HydrophobicContact CE-CD1 4.36Å; I760-L764 HydrophobicContact CD1-CD1 4.35Å; I760-L764 PolarHBondContact O-N 3.08Å; L764-N766 VanDerWaalsContact C-N 3.31Å; L764-N766 PolarHBondContact O-N 3.21Å; L764-L767 HydrophobicContact CB-CB 4.15Å; L764-L767 HydrophobicContact CD1-CD2 4.04Å; L764-L767 PolarHBondContact O-N 3.45Å; L764-A768 WeakPolarHBondContact O-CB 3.24Å; L764-A768 PolarHBondContact O-N 2.77Å; L764-A768 VanDerWaalsContact O-N 3.08Å
765P94.9Very high94Very high8 Ų821.1 Ų21.15%0.05210%0.098CC..Hα-helixtrans-62-38.7-173.725.4-35000112.2A129 D619 A761 I763 A768 E769A129-P765 HydrophobicContact CB-CG 4.27Å; D619-P765 WeakPolarHBondContact OD1-CD 3.46Å; A761-P765 VanDerWaalsContact O-CA 3.31Å; A761-P765 WeakPolarHBondContact O-CA 3.43Å; I763-P765 VanDerWaalsContact O-CD 3.25Å; I763-P765 WeakPolarHBondContact O-CD 3.33Å; P765-A768 PolarHBondContact O-N 2.85Å; P765-E769 WeakPolarHBondContact O-CB 3.32Å; P765-E769 WeakPolarHBondContact O-CG 3.47Å; P765-E769 PolarHBondContact O-N 2.88Å
766N93.7Very high92.8Very high12 Ų1225.2 Ų25.26%0.06413%0.133CC..Hα-helixtrans-71.3-39.5-176.3-68.75.7000111.4D10 L13 D619 L764 A768 E769 E770D10-N766 WeakPolarHBondContact CB-ND2 3.33Å; D10-N766 VanDerWaalsContact CG-ND2 3.3Å; D10-N766 WeakPolarHBondContact OD1-CB 3.39Å; D10-N766 PolarHBondContact OD1-ND2 2.83Å; L13-N766 HydrophobicContact CD1-CB 4.44Å; D619-N766 PolarHBondContact OD1-N 3.21Å; D619-N766 PolarHBondContact OD2-N 3.15Å; L764-N766 VanDerWaalsContact C-N 3.31Å; L764-N766 PolarHBondContact O-N 3.21Å; N766-A768 VanDerWaalsContact C-N 3.34Å; N766-E769 PolarHBondContact O-N 2.94Å; N766-E770 WeakPolarHBondContact O-CB 3.39Å; N766-E770 PolarHBondContact O-N 2.83Å
767L94Very high91.6Very high3 Ų329 Ų292%0.01617%0.173CC..Hα-helixtrans-66.5-37.9176.1-179.962.6000111.6D619 L649 I652 R653 L656 I760 L764 Y771D619-L767 VanDerWaalsContact OD2-CB 3.26Å; D619-L767 WeakPolarHBondContact OD2-CB 3.45Å; D619-L767 PolarHBondContact OD2-N 3.11Å; L649-L767 HydrophobicContact CD1-CD2 4Å; I652-L767 HydrophobicContact CB-CD2 4.48Å; I652-L767 HydrophobicContact CG2-CD2 3.76Å; R653-L767 HydrophobicContact CB-CD1 4.37Å; R653-L767 HydrophobicContact CG-CD1 4.44Å; L656-L767 HydrophobicContact CD1-CD1 4.35Å; L656-L767 HydrophobicContact CD1-CD2 4.33Å; L656-L767 HydrophobicContact CD1-CG 4.19Å; I760-L767 HydrophobicContact CD1-CD2 4.31Å; L764-L767 HydrophobicContact CB-CB 4.15Å; L764-L767 HydrophobicContact CD1-CD2 4.04Å; L764-L767 PolarHBondContact O-N 3.45Å; L767-Y771 PolarHBondContact O-N 2.8Å
768A94.7Very high90.5Very high0 Ų031 Ų310%019%0.185CC..Hα-helixtrans-64.1-44.2175.800000111.2V757 A761 L764 P765 N766 Y771 R772 V783V757-A768 HydrophobicContact CG1-CB 3.93Å; A761-A768 HydrophobicContact CB-CB 3.79Å; L764-A768 WeakPolarHBondContact O-CB 3.24Å; L764-A768 PolarHBondContact O-N 2.77Å; L764-A768 VanDerWaalsContact O-N 3.08Å; P765-A768 PolarHBondContact O-N 2.85Å; N766-A768 VanDerWaalsContact C-N 3.34Å; A768-Y771 PolarHBondContact O-N 2.99Å; A768-R772 PolarHBondContact O-N 3.45Å; A768-R772 VanDerWaalsContact O-N 3.09Å; A768-V783 HydrophobicContact CB-CB 4.34Å; A768-V783 HydrophobicContact CB-CG1 4.26Å; A768-V783 HydrophobicContact CB-CG2 4.18Å
769E92.6Very high90Very high11 Ų1129.1 Ų29.15%0.05118%0.178CC..Hα-helixtrans-70.7-37.3177-71.9-58162.500113.5H17 P765 N766 Y771 R772 H773 S782 V783H17-E769 IonicContact CE1-OE2 3.05Å; H17-E769 PolarHBondContact CE1-OE2 3.14Å; H17-E769 IonicContact CG-OE2 3.27Å; H17-E769 IonicContact ND1-OE2 2.66Å; H17-E769 PolarHBondContact ND1-OE2 3.42Å; H17-E769 WeakPolarHBondContact NE2-CB 3.45Å; H17-E769 IonicContact NE2-OE2 3.34Å; P765-E769 WeakPolarHBondContact O-CB 3.32Å; P765-E769 WeakPolarHBondContact O-CG 3.47Å; P765-E769 PolarHBondContact O-N 2.88Å; N766-E769 PolarHBondContact O-N 2.94Å; E769-Y771 VanDerWaalsContact C-N 3.29Å; E769-Y771 PolarHBondContact O-N 3.39Å; E769-R772 WeakPolarHBondContact O-CB 3.4Å; E769-R772 PolarHBondContact O-N 2.85Å; E769-R772 VanDerWaalsContact O-N 3.15Å; E769-R772 WeakPolarHBondContact OE2-CD 3.34Å; E769-R772 IonicContact OE2-CZ 2.61Å; E769-R772 IonicContact OE2-NE 3.39Å; E769-R772 PolarHBondContact OE2-NE 3.29Å; E769-H773 PolarHBondContact O-CD2 3.04Å; E769-H773 VanDerWaalsContact O-CD2 3.27Å; E769-H773 PolarHBondContact O-N 2.88Å; E769-S782 WeakPolarHBondContact OE1-CA 3.12Å; E769-S782 WeakPolarHBondContact OE1-CB 3.27Å; E769-S782 PolarHBondContact OE1-OG 3.28Å; E769-V783 PolarHBondContact OE1-N 2.97Å
770E92.1Very high89.3Confident27 Ų2731.7 Ų31.713%0.12621%0.205CC..Hα-helixtrans-55.4-46.2171.1179.5-173.316300110.1R6 L13 R653 N766 R772 H773 H774R6-E770 IonicContact CZ-OE2 3.16Å; R6-E770 IonicContact NH1-OE1 2.67Å; R6-E770 IonicContact NH1-OE2 3.52Å; R6-E770 PolarHBondContact NH1-OE2 3.28Å; R6-E770 IonicContact NH2-OE2 2.73Å; R6-E770 PolarHBondContact NH2-OE2 2.83Å; L13-E770 HydrophobicContact CD1-CB 4.01Å; R653-E770 IonicContact CZ-OE1 3.77Å; R653-E770 IonicContact CZ-OE2 2.72Å; R653-E770 IonicContact NE-OE1 3.58Å; R653-E770 PolarHBondContact NE-OE1 3.21Å; R653-E770 IonicContact NE-OE2 3.85Å; R653-E770 IonicContact NH2-OE1 3.06Å; R653-E770 IonicContact NH2-OE2 3.84Å; R653-E770 PolarHBondContact NH2-OE2 3.24Å; N766-E770 WeakPolarHBondContact O-CB 3.39Å; N766-E770 PolarHBondContact O-N 2.83Å; E770-R772 PolarHBondContact O-N 2.84Å; E770-H773 PolarHBondContact O-N 3.13Å; E770-H774 PolarHBondContact O-CD2 3Å
771Y93Very high88.7Confident13 Ų1341.4 Ų41.45%0.05124%0.242CC..Hα-helixtrans-62.5-44.1176-175.5-93.4000112L656 V753 V757 L767 A768 E769 H773 H774 V775 F779L656-Y771 HydrophobicContact CB-CD2 3.88Å; L656-Y771 HydrophobicContact CB-CE2 4.14Å; L656-Y771 HydrophobicContact CD1-CD2 4.44Å; L656-Y771 HydrophobicContact CD2-CD2 4.24Å; L656-Y771 HydrophobicContact CD2-CE2 4.32Å; L656-Y771 HydrophobicContact CG-CD2 4.42Å; L656-Y771 WeakPolarHBondContact O-CE2 3.48Å; V753-Y771 HydrophobicContact CG1-CE1 4.4Å; V753-Y771 WeakPolarHBondContact CG1-OH 3.47Å; V753-Y771 HydrophobicContact CG2-CE1 3.79Å; V753-Y771 HydrophobicContact CG2-CE2 3.9Å; V753-Y771 WeakPolarHBondContact CG2-OH 3.36Å; V757-Y771 HydrophobicContact CB-CD1 4.48Å; V757-Y771 HydrophobicContact CG1-CD1 4.28Å; V757-Y771 HydrophobicContact CG2-CD1 3.65Å; V757-Y771 HydrophobicContact CG2-CE1 4.09Å; V757-Y771 HydrophobicContact CG2-CG 3.94Å; L767-Y771 PolarHBondContact O-N 2.8Å; A768-Y771 PolarHBondContact O-N 2.99Å; E769-Y771 VanDerWaalsContact C-N 3.29Å; E769-Y771 PolarHBondContact O-N 3.39Å; Y771-H773 VanDerWaalsContact C-N 3.3Å; Y771-H773 PolarHBondContact O-N 2.71Å; Y771-H774 PolarHBondContact O-N 2.89Å; Y771-H774 VanDerWaalsContact O-N 3.12Å; Y771-V775 HydrophobicContact CD1-CG2 4.3Å; Y771-V775 HydrophobicContact CE1-CB 4.17Å; Y771-V775 HydrophobicContact CE1-CG2 3.72Å; Y771-V775 HydrophobicContact CE2-CG2 4.19Å; Y771-V775 PolarHBondContact O-N 3.1Å; Y771-F779 AromaticContact CD1-CE2 3.79Å; Y771-F779 HydrophobicContact CD1-CE2 3.79Å; Y771-F779 HydrophobicContact CD1-CZ 4.09Å; Y771-F779 AromaticContact CE1-CE2 3.87Å; Y771-F779 HydrophobicContact CE1-CE2 3.87Å; Y771-F779 HydrophobicContact CE1-CZ 4.09Å
772R90.8Very high88.4Confident51 Ų5141.3 Ų41.319%0.19224%0.241CC..Hα-helixtrans-57.5-40.5177.8-175.2-169.378.271.99.6112.3H17 A768 E769 E770 H774 V775 F779 G780 R781 V783H17-R772 PolarHBondContact CE1-NH2 3.49Å; H17-R772 PolarHBondContact ND1-NH2 2.84Å; A768-R772 PolarHBondContact O-N 3.45Å; A768-R772 VanDerWaalsContact O-N 3.09Å; E769-R772 WeakPolarHBondContact O-CB 3.4Å; E769-R772 PolarHBondContact O-N 2.85Å; E769-R772 VanDerWaalsContact O-N 3.15Å; E769-R772 WeakPolarHBondContact OE2-CD 3.34Å; E769-R772 IonicContact OE2-CZ 2.61Å; E769-R772 IonicContact OE2-NE 3.39Å; E769-R772 PolarHBondContact OE2-NE 3.29Å; E770-R772 PolarHBondContact O-N 2.84Å; R772-H774 PolarHBondContact O-N 3.41Å; R772-V775 CarbonylContact O-C 3.55Å; R772-V775 PolarHBondContact O-N 3.41Å; R772-V775 VanDerWaalsContact O-N 3.12Å; R772-F779 HydrophobicContact CB-CD2 4.06Å; R772-F779 HydrophobicContact CG-CB 3.89Å; R772-F779 HydrophobicContact CG-CD2 3.89Å; R772-F779 HydrophobicContact CG-CG 4.27Å; R772-G780 PolarHBondContact NH1-O 3.05Å; R772-R781 PolarHBondContact NE-O 3.07Å; R772-R781 PolarHBondContact NH1-O 3.44Å; R772-R781 PolarHBondContact NH2-O 2.98Å; R772-V783 HydrophobicContact CB-CG2 3.96Å; R772-V783 HydrophobicContact CG-CG2 4.44Å
773H88Confident88.1Confident85 Ų8541.4 Ų41.439%0.39424%0.241SC..Hα-helixtrans-59.4-29.7178.7-86.3-143.6000113.3H17 E769 E770 Y771H17-H773 AromaticContact CE1-CD2 3.36Å; H17-H773 PolarHBondContact CE1-CD2 3.14Å; H17-H773 AromaticContact CE1-NE2 2.87Å; H17-H773 PolarHBondContact CE1-NE2 3.26Å; H17-H773 AromaticContact ND1-NE2 3.92Å; H17-H773 AromaticContact NE2-CD2 3.62Å; H17-H773 AromaticContact NE2-CE1 3.86Å; H17-H773 AromaticContact NE2-NE2 2.89Å; H17-H773 PolarHBondContact NE2-NE2 2.69Å; E769-H773 PolarHBondContact O-CD2 3.04Å; E769-H773 VanDerWaalsContact O-CD2 3.27Å; E769-H773 PolarHBondContact O-N 2.88Å; E770-H773 PolarHBondContact O-N 3.13Å; Y771-H773 VanDerWaalsContact C-N 3.3Å; Y771-H773 PolarHBondContact O-N 2.71Å
774H87.6Confident87.8Confident137 Ų13741.8 Ų41.863%0.63424%0.243SC*.Hα-helixtrans-91.6-6.8-179.7-66.5-58.9000113.9E770 Y771 R772E770-H774 PolarHBondContact O-CD2 3Å; Y771-H774 PolarHBondContact O-N 2.89Å; Y771-H774 VanDerWaalsContact O-N 3.12Å; R772-H774 PolarHBondContact O-N 3.41Å
775V84Confident87.4Confident32 Ų3246.9 Ų46.919%0.19427%0.267CS..SBendtrans-133.4111.9-175.2-175.60000110.5Y771 R772 V778Y771-V775 HydrophobicContact CD1-CG2 4.3Å; Y771-V775 HydrophobicContact CE1-CB 4.17Å; Y771-V775 HydrophobicContact CE1-CG2 3.72Å; Y771-V775 HydrophobicContact CE2-CG2 4.19Å; Y771-V775 PolarHBondContact O-N 3.1Å; R772-V775 CarbonylContact O-C 3.55Å; R772-V775 PolarHBondContact O-N 3.41Å; R772-V775 VanDerWaalsContact O-N 3.12Å; V775-V778 HydrophobicContact CG1-CG2 4.22Å
776A69.7Low87.3Confident98 Ų9848.1 Ų48.181%0.8128%0.276SS*.  trans-74.4148.8-177.700000112.9V778A776-V778 PolarHBondContact O-N 3.46Å
777G71.7Confident87.2Confident81 Ų8148.3 Ų48.384%0.83528%0.281SS*.SBendtrans84.9-2416100000117.8
778V74.5Confident87.3Confident41 Ų4149 Ų4925%0.24828%0.283CS..SBendtrans-81-36.7-169.2-176.50000114.2H750 S754 V775 A776H750-V778 WeakPolarHBondContact NE2-CG2 3.49Å; S754-V778 WeakPolarHBondContact OG-CG1 3.44Å; V775-V778 HydrophobicContact CG1-CG2 4.22Å; A776-V778 PolarHBondContact O-N 3.46Å
779F84.8Confident87.2Confident7 Ų749.1 Ų49.13%0.03128%0.284CS..SBendtrans-113.33.7-169.8-50.7-81.8000114.2V757 R758 Y771 R772 V783V757-F779 HydrophobicContact CB-CE1 3.97Å; V757-F779 HydrophobicContact CB-CZ 3.82Å; V757-F779 HydrophobicContact CG1-CE1 3.82Å; V757-F779 HydrophobicContact CG1-CE2 4.42Å; V757-F779 HydrophobicContact CG1-CZ 3.74Å; V757-F779 HydrophobicContact CG2-CZ 4.35Å; R758-F779 HydrophobicContact CG-CD1 3.96Å; R758-F779 HydrophobicContact CG-CE1 3.92Å; Y771-F779 AromaticContact CD1-CE2 3.79Å; Y771-F779 HydrophobicContact CD1-CE2 3.79Å; Y771-F779 HydrophobicContact CD1-CZ 4.09Å; Y771-F779 AromaticContact CE1-CE2 3.87Å; Y771-F779 HydrophobicContact CE1-CE2 3.87Å; Y771-F779 HydrophobicContact CE1-CZ 4.09Å; R772-F779 HydrophobicContact CB-CD2 4.06Å; R772-F779 HydrophobicContact CG-CB 3.89Å; R772-F779 HydrophobicContact CG-CD2 3.89Å; R772-F779 HydrophobicContact CG-CG 4.27Å; F779-V783 HydrophobicContact CB-CG2 4.16Å; F779-V783 HydrophobicContact CD1-CG1 4.25Å; F779-V783 HydrophobicContact CD1-CG2 4.23Å; F779-V783 HydrophobicContact CG-CG2 4.1Å
780G83.8Confident86.9Confident55 Ų5556.4 Ų56.457%0.56732%0.318SS*.THydrogen-bonded Turntrans63.6-138.7-172.800000113R772R772-G780 PolarHBondContact NH1-O 3.05Å
781R84.8Confident86.4Confident203 Ų20358 Ų5877%0.76633%0.33SS*.THydrogen-bonded Turntrans-78.1-33.4-174.7-63.2179.1178.5177.50.2113.5R772 E785R772-R781 PolarHBondContact NE-O 3.07Å; R772-R781 PolarHBondContact NH1-O 3.44Å; R772-R781 PolarHBondContact NH2-O 2.98Å; R781-E785 WeakPolarHBondContact CB-OE2 3.39Å
782S89Confident85.6Confident4 Ų459.4 Ų59.43%0.02834%0.34CS..  trans-149.1145.9176.5168.60000109.8E769 L784 E785 S786E769-S782 WeakPolarHBondContact OE1-CA 3.12Å; E769-S782 WeakPolarHBondContact OE1-CB 3.27Å; E769-S782 PolarHBondContact OE1-OG 3.28Å; S782-L784 PolarHBondContact O-N 2.93Å; S782-L784 PolarHBondContact OG-N 2.93Å; S782-L784 VanDerWaalsContact OG-N 3.13Å; S782-E785 PolarHBondContact O-N 2.78Å; S782-S786 PolarHBondContact O-N 2.75Å
783V92.4Very high84.9Confident1 Ų161.3 Ų61.31%0.00635%0.354CS..THydrogen-bonded Turntrans-60.3-32.5173.1-173.10000110.7V757 R758 A761 A768 E769 R772 F779 E785 S786V757-V783 HydrophobicContact CG1-CG1 4.11Å; V757-V783 HydrophobicContact CG1-CG2 4.18Å; R758-V783 HydrophobicContact CB-CG1 4.45Å; R758-V783 HydrophobicContact CG-CG1 3.98Å; A761-V783 HydrophobicContact CB-CB 4.33Å; A761-V783 HydrophobicContact CB-CG1 3.65Å; A768-V783 HydrophobicContact CB-CB 4.34Å; A768-V783 HydrophobicContact CB-CG1 4.26Å; A768-V783 HydrophobicContact CB-CG2 4.18Å; E769-V783 PolarHBondContact OE1-N 2.97Å; R772-V783 HydrophobicContact CB-CG2 3.96Å; R772-V783 HydrophobicContact CG-CG2 4.44Å; F779-V783 HydrophobicContact CB-CG2 4.16Å; F779-V783 HydrophobicContact CD1-CG1 4.25Å; F779-V783 HydrophobicContact CD1-CG2 4.23Å; F779-V783 HydrophobicContact CG-CG2 4.1Å; V783-E785 PolarHBondContact O-N 3.13Å; V783-S786 WeakPolarHBondContact O-CB 3.5Å; V783-S786 PolarHBondContact O-N 3.37Å; V783-S786 PolarHBondContact O-OG 3.01Å
784L91.6Very high84.3Confident9 Ų957.4 Ų57.45%0.04734%0.336CS..THydrogen-bonded Turntrans-64.1-39.1177-175.354000112.2V19 M22 R65 I68 M69 L131 S782 S786V19-L784 HydrophobicContact CG1-CD2 3.56Å; M22-L784 HydrophobicContact CE-CB 4.45Å; M22-L784 HydrophobicContact CE-CD2 3.22Å; M22-L784 HydrophobicContact CE-CG 3.63Å; M22-L784 HydrophobicContact SD-CB 4.28Å; M22-L784 HydrophobicContact SD-CD2 4.07Å; M22-L784 HydrophobicContact SD-CG 4.02Å; R65-L784 HydrophobicContact CB-CD1 4.31Å; I68-L784 HydrophobicContact CB-CD1 4.31Å; I68-L784 HydrophobicContact CG2-CD1 4.02Å; I68-L784 HydrophobicContact CG2-CG 4.28Å; M69-L784 HydrophobicContact CG-CD1 3.49Å; M69-L784 VanDerWaalsContact CG-CD1 3.49Å; M69-L784 HydrophobicContact SD-CD1 4.05Å; L131-L784 HydrophobicContact CD1-CD2 3.9Å; S782-L784 PolarHBondContact O-N 2.93Å; S782-L784 PolarHBondContact OG-N 2.93Å; S782-L784 VanDerWaalsContact OG-N 3.13Å; L784-S786 VanDerWaalsContact C-N 3.32Å
785E88.9Confident83.6Confident107 Ų10756.1 Ų56.150%0.534%0.338SS..THydrogen-bonded Turntrans-72.3-25.5176.3-68-172.2156.200112.8M22 R781 S782 V783 G787M22-E785 HydrophobicContact CG-CG 3.92Å; M22-E785 WeakPolarHBondContact CG-OE1 3.24Å; M22-E785 HydrophobicContact SD-CG 3.37Å; M22-E785 WeakPolarHBondContact SD-CG 3.36Å; R781-E785 WeakPolarHBondContact CB-OE2 3.39Å; S782-E785 PolarHBondContact O-N 2.78Å; V783-E785 PolarHBondContact O-N 3.13Å; E785-G787 PolarHBondContact O-N 3.14Å; E785-G787 VanDerWaalsContact O-N 3.09Å
786S91Very high82.9Confident33 Ų3358.7 Ų58.723%0.23136%0.357CS..THydrogen-bonded Turntrans-66.5-8.8178.778.40000113.7R758 S782 V783 L784R758-S786 WeakPolarHBondContact CG-OG 3.41Å; R758-S786 PolarHBondContact NE-OG 3.31Å; R758-S786 PolarHBondContact NH2-O 2.89Å; S782-S786 PolarHBondContact O-N 2.75Å; V783-S786 WeakPolarHBondContact O-CB 3.5Å; V783-S786 PolarHBondContact O-N 3.37Å; V783-S786 PolarHBondContact O-OG 3.01Å; L784-S786 VanDerWaalsContact C-N 3.32Å
787G92.5Very high83Confident16 Ų1657.9 Ų57.917%0.16533%0.334CS..  trans73.1174.7178.300000113.8M69 R758 E785M69-G787 WeakPolarHBondContact CE-O 3.16Å; M69-G787 CarbonylContact O-C 3.55Å; M69-G787 WeakPolarHBondContact O-CA 3.37Å; R758-G787 PolarHBondContact NE-O 3.18Å; R758-G787 PolarHBondContact NH2-O 2.94Å; E785-G787 PolarHBondContact O-N 3.14Å; E785-G787 VanDerWaalsContact O-N 3.09Å
788W95.2Very high83.3Confident19 Ų1954.3 Ų54.37%0.07230%0.295CS..SBendtrans-71.5137.4177.5-172.1-96.4000109.7Y66 M69 T70 I693 M696 L700 R758 P762 E790Y66-W788 HydrophobicContact CD2-CD2 4.15Å; Y66-W788 AromaticContact CD2-CE3 3.63Å; Y66-W788 HydrophobicContact CD2-CE3 3.63Å; Y66-W788 HydrophobicContact CD2-CH2 4.1Å; Y66-W788 AromaticContact CD2-CZ3 3.62Å; Y66-W788 HydrophobicContact CD2-CZ3 3.62Å; Y66-W788 AromaticContact CE2-CD2 3.8Å; Y66-W788 HydrophobicContact CE2-CD2 3.8Å; Y66-W788 AromaticContact CE2-CE2 3.93Å; Y66-W788 AromaticContact CE2-CE3 3.78Å; Y66-W788 HydrophobicContact CE2-CE3 3.78Å; Y66-W788 HydrophobicContact CE2-CH2 4.04Å; Y66-W788 HydrophobicContact CE2-CZ2 4.04Å; Y66-W788 AromaticContact CE2-CZ3 3.91Å; Y66-W788 HydrophobicContact CE2-CZ3 3.91Å; M69-W788 HydrophobicContact CB-CB 4.08Å; M69-W788 HydrophobicContact CB-CE3 4.5Å; M69-W788 WeakPolarHBondContact O-CB 3.3Å; M69-W788 PolarHBondContact O-N 3.2Å; T70-W788 HydrophobicContact CG2-CB 3.77Å; T70-W788 HydrophobicContact CG2-CD2 4.36Å; T70-W788 HydrophobicContact CG2-CG 3.88Å; I693-W788 HydrophobicContact CD1-CH2 4.37Å; I693-W788 HydrophobicContact CD1-CZ2 3.51Å; M696-W788 HydrophobicContact CB-CZ2 4.21Å; L700-W788 HydrophobicContact CD1-CH2 3.38Å; L700-W788 HydrophobicContact CD1-CZ2 4.19Å; L700-W788 HydrophobicContact CD1-CZ3 3.84Å; R758-W788 VanDerWaalsContact NH2-C 3.29Å; R758-W788 PolarHBondContact NH2-O 2.95Å; P762-W788 HydrophobicContact CG-CZ3 4.02Å; W788-E790 PolarHBondContact O-N 3.3Å
789P93Very high83.6Confident1 Ų154.1 Ų54.11%0.00630%0.301CS..PPolyproline II helixtrans-66.2135.4-17930-35000110.8I693 T755 R758I693-P789 HydrophobicContact CD1-CG 3.43Å; I693-P789 VanDerWaalsContact CD1-CG 3.43Å; I693-P789 HydrophobicContact CG1-CG 3.85Å; T755-P789 HydrophobicContact CG2-CB 3.88Å; T755-P789 HydrophobicContact CG2-CG 3.95Å; R758-P789 HydrophobicContact CB-CB 4.36Å; R758-P789 HydrophobicContact CB-CG 4.08Å; R758-P789 VanDerWaalsContact CZ-CA 3.47Å
790E87.5Confident83.5Confident164 Ų16460.7 Ų60.777%0.76634%0.337SS*.PPolyproline II helixtrans-65.9148.8174.7-64.3-175.8171.700109.7W788 P792W788-E790 PolarHBondContact O-N 3.3Å; E790-P792 WeakPolarHBondContact O-CD 3.23Å
791V81.3Confident83.6Confident62 Ų6264.8 Ų64.838%0.37634%0.341SS..  trans-75.8113.6171.4-173.20000106.5I693 A694 D793I693-V791 HydrophobicContact CG2-CB 4.24Å; I693-V791 HydrophobicContact CG2-CG1 4.11Å; I693-V791 HydrophobicContact CG2-CG2 4.1Å; A694-V791 HydrophobicContact CB-CG1 4.31Å; A694-V791 HydrophobicContact CB-CG2 4.45Å; V791-D793 PolarHBondContact O-N 3.07Å
792P75.6Confident83.8Confident42 Ų4257 Ų5727%0.27331%0.313SS..  trans-61.9123.8176.3-1730.1000108.8S690 E790 T794S690-P792 WeakPolarHBondContact CB-O 3.48Å; S690-P792 WeakPolarHBondContact OG-CB 3.35Å; S690-P792 WeakPolarHBondContact OG-CD 3.25Å; S690-P792 PolarHBondContact OG-O 3.14Å; E790-P792 WeakPolarHBondContact O-CD 3.23Å; P792-T794 HydrophobicContact CB-CG2 4.43Å; P792-T794 PolarHBondContact O-N 3.15Å
793D76.1Confident83.7Confident90 Ų9057.9 Ų57.948%0.48132%0.317SS..  trans-70.898.4172.2173.922.2000108.7V791 T795 S796 Y797V791-D793 PolarHBondContact O-N 3.07Å; D793-T795 PolarHBondContact OD1-N 3.24Å; D793-T795 PolarHBondContact OD1-OG1 2.83Å; D793-S796 PolarHBondContact OD2-OG 3.41Å; D793-Y797 WeakPolarHBondContact O-CE1 3.16Å; D793-Y797 PolarHBondContact O-OH 3.49Å
794T76.6Confident83.6Confident3 Ų361 Ų612%0.01834%0.339CS..  trans-91.6-9.6176580000113H686 R687 S690 P792 S796 Y797 Y798H686-T794 HydrophobicContact CB-CG2 4.37Å; R687-T794 VanDerWaalsContact CD-OG1 3.28Å; R687-T794 WeakPolarHBondContact CD-OG1 3.32Å; S690-T794 VanDerWaalsContact OG-CG2 3.26Å; S690-T794 WeakPolarHBondContact OG-CG2 3.44Å; P792-T794 HydrophobicContact CB-CG2 4.43Å; P792-T794 PolarHBondContact O-N 3.15Å; T794-S796 VanDerWaalsContact C-N 3.29Å; T794-S796 PolarHBondContact O-N 2.73Å; T794-Y797 VanDerWaalsContact CA-CE2 3.48Å; T794-Y797 HydrophobicContact CG2-CE2 3.86Å; T794-Y797 PolarHBondContact O-N 2.79Å; T794-Y798 WeakPolarHBondContact O-CB 3.31Å; T794-Y798 PolarHBondContact O-N 3.41Å
795T71.1Confident83.6Confident110 Ų11061.4 Ų61.468%0.67534%0.341SS*.THydrogen-bonded Turntrans-72-26.6-173.456.90000112.8D793 Y797D793-T795 PolarHBondContact OD1-N 3.24Å; D793-T795 PolarHBondContact OD1-OG1 2.83Å; T795-Y797 PolarHBondContact O-N 3.06Å
796S69.9Low83.8Confident86 Ų8656.3 Ų56.360%0.60132%0.317SS*.THydrogen-bonded Turntrans-68.2-19.5176.950.10000113.8D793 T794D793-S796 PolarHBondContact OD2-OG 3.41Å; T794-S796 VanDerWaalsContact C-N 3.29Å; T794-S796 PolarHBondContact O-N 2.73Å
797Y72.9Confident83.9Confident81 Ų8160.1 Ų60.132%0.31833%0.33SS..THydrogen-bonded Turntrans-144.1-5.2-168.256.2-118.6000116.3H675 D793 T794 T795H675-Y797 VanDerWaalsContact CD2-CB 3.48Å; H675-Y797 WeakPolarHBondContact CD2-CB 3.09Å; H675-Y797 AromaticContact CD2-CD2 3.9Å; H675-Y797 AromaticContact CD2-CG 3.78Å; H675-Y797 AromaticContact CE1-CD2 2.93Å; H675-Y797 WeakPolarHBondContact CE1-CD2 2.95Å; H675-Y797 AromaticContact CE1-CE2 3.51Å; H675-Y797 AromaticContact CE1-CG 3.63Å; H675-Y797 AromaticContact CG-CD2 3.84Å; H675-Y797 AromaticContact CG-CG 3.86Å; H675-Y797 AromaticContact ND1-CD2 3.3Å; H675-Y797 VanDerWaalsContact ND1-CD2 3.3Å; H675-Y797 WeakPolarHBondContact ND1-CD2 3.25Å; H675-Y797 AromaticContact ND1-CE2 3.53Å; H675-Y797 AromaticContact ND1-CG 3.82Å; H675-Y797 WeakPolarHBondContact NE2-CB 3.39Å; H675-Y797 AromaticContact NE2-CD2 3.33Å; H675-Y797 VanDerWaalsContact NE2-CD2 3.33Å; H675-Y797 WeakPolarHBondContact NE2-CD2 2.83Å; H675-Y797 AromaticContact NE2-CG 3.59Å; H675-Y797 PolarHBondContact NE2-O 3.05Å; D793-Y797 WeakPolarHBondContact O-CE1 3.16Å; D793-Y797 PolarHBondContact O-OH 3.49Å; T794-Y797 VanDerWaalsContact CA-CE2 3.48Å; T794-Y797 HydrophobicContact CG2-CE2 3.86Å; T794-Y797 PolarHBondContact O-N 2.79Å; T795-Y797 PolarHBondContact O-N 3.06Å
798Y78.1Confident83.9Confident7 Ų761.1 Ų61.13%0.02733%0.333CS..SBendtrans-117.896.4167.3-169-103.5000107.9R683 Y684 R687 T794 E802 E803 F806R683-Y798 HydrophobicContact CB-CD2 3.66Å; R683-Y798 HydrophobicContact CB-CE2 3.95Å; Y684-Y798 WeakPolarHBondContact CD2-OH 3.43Å; R687-Y798 HydrophobicContact CB-CD1 3.9Å; R687-Y798 HydrophobicContact CB-CE1 4.11Å; R687-Y798 HydrophobicContact CB-CG 4.46Å; R687-Y798 HydrophobicContact CG-CD1 3.86Å; R687-Y798 HydrophobicContact CG-CE1 4.03Å; T794-Y798 WeakPolarHBondContact O-CB 3.31Å; T794-Y798 PolarHBondContact O-N 3.41Å; Y798-E802 HydrophobicContact CD2-CB 4.46Å; Y798-E802 VanDerWaalsContact CD2-CD 3.46Å; Y798-E802 HydrophobicContact CD2-CG 4.01Å; Y798-E802 VanDerWaalsContact CD2-OE2 3.24Å; Y798-E802 WeakPolarHBondContact CD2-OE2 3.35Å; Y798-E802 HydrophobicContact CE2-CB 4.25Å; Y798-E802 HydrophobicContact CE2-CG 3.55Å; Y798-E803 HydrophobicContact CD1-CB 4.17Å; Y798-E803 HydrophobicContact CE1-CB 3.51Å; Y798-E803 HydrophobicContact CE1-CG 3.84Å; Y798-F806 WeakPolarHBondContact OH-CB 2.99Å
799G80Confident83.8Confident36 Ų3660.2 Ų60.237%0.37133%0.329SS..  trans-74.5160.7-171.500000113.4E801 E802 E803G799-E801 PolarHBondContact O-N 2.83Å; G799-E802 PolarHBondContact O-N 2.87Å; G799-E803 PolarHBondContact O-N 3.27Å
800N83.3Confident83.8Confident145 Ų14561.9 Ų61.978%0.77534%0.338SS*.Hα-helixtrans-58.5-32.6176.1-70.8-27.5000113S804N800-S804 WeakPolarHBondContact O-CB 3.39Å; N800-S804 PolarHBondContact O-N 2.97Å
801E85.5Confident84.1Confident142 Ų14256.9 Ų56.966%0.66432%0.321SS*.Hα-helixtrans-68.5-48.7177.5-170.9171.9-168.900111.2G799 E803 S804 D805G799-E801 PolarHBondContact O-N 2.83Å; E801-E803 VanDerWaalsContact C-N 3.31Å; E801-E803 PolarHBondContact O-N 3.48Å; E801-S804 WeakPolarHBondContact O-CB 3.49Å; E801-S804 PolarHBondContact O-N 3.08Å; E801-S804 VanDerWaalsContact O-N 3.09Å; E801-D805 PolarHBondContact O-N 3.19Å
802E88.1Confident84.6Confident38 Ų3853.9 Ų53.918%0.17830%0.303CS..Hα-helixtrans-60.6-40.1174.8-169.3178.6-169.900111.6T680 R683 Y798 G799 S804 D805 F806T680-E802 HydrophobicContact CG2-CG 4.26Å; R683-E802 IonicContact CZ-OE1 3.08Å; R683-E802 IonicContact NE-OE1 3.48Å; R683-E802 PolarHBondContact NE-OE1 2.98Å; R683-E802 IonicContact NE-OE2 3.73Å; R683-E802 IonicContact NH2-OE1 3.17Å; R683-E802 PolarHBondContact NH2-OE1 3.37Å; Y798-E802 HydrophobicContact CD2-CB 4.46Å; Y798-E802 VanDerWaalsContact CD2-CD 3.46Å; Y798-E802 HydrophobicContact CD2-CG 4.01Å; Y798-E802 VanDerWaalsContact CD2-OE2 3.24Å; Y798-E802 WeakPolarHBondContact CD2-OE2 3.35Å; Y798-E802 HydrophobicContact CE2-CB 4.25Å; Y798-E802 HydrophobicContact CE2-CG 3.55Å; G799-E802 PolarHBondContact O-N 2.87Å; E802-S804 VanDerWaalsContact C-N 3.35Å; E802-S804 PolarHBondContact O-N 3.44Å; E802-D805 PolarHBondContact O-N 3.36Å; E802-F806 WeakPolarHBondContact O-CB 3.44Å; E802-F806 PolarHBondContact O-N 3.11Å
803E88.5Confident85.5Confident23 Ų2353.7 Ų53.711%0.10730%0.297CS..Hα-helixtrans-62.4-41.6173.9-168.1174.414300112.2R687 Y798 G799 E801 K807R687-E803 IonicContact CZ-OE2 2.99Å; R687-E803 IonicContact NE-OE2 2.7Å; R687-E803 PolarHBondContact NE-OE2 2.97Å; R687-E803 IonicContact NH2-OE2 2.84Å; R687-E803 PolarHBondContact NH2-OE2 3.14Å; Y798-E803 HydrophobicContact CD1-CB 4.17Å; Y798-E803 HydrophobicContact CE1-CB 3.51Å; Y798-E803 HydrophobicContact CE1-CG 3.84Å; G799-E803 PolarHBondContact O-N 3.27Å; E801-E803 VanDerWaalsContact C-N 3.31Å; E801-E803 PolarHBondContact O-N 3.48Å; E803-K807 HydrophobicContact CG-CD 4.44Å; E803-K807 WeakPolarHBondContact O-CB 3.34Å; E803-K807 VanDerWaalsContact O-CG 3.27Å; E803-K807 WeakPolarHBondContact O-CG 3.36Å; E803-K807 PolarHBondContact O-N 3.45Å; E803-K807 VanDerWaalsContact OE1-CE 3.26Å; E803-K807 WeakPolarHBondContact OE1-CE 3.35Å; E803-K807 IonicContact OE1-NZ 3.93Å; E803-K807 PolarHBondContact OE1-NZ 3.06Å
804S90.2Very high86.2Confident67 Ų6752.2 Ų52.247%0.46930%0.297SS..Hα-helixtrans-63.5-47.1176.2-174.70000111.2N800 E801 E802 F806 K807 V808N800-S804 WeakPolarHBondContact O-CB 3.39Å; N800-S804 PolarHBondContact O-N 2.97Å; E801-S804 WeakPolarHBondContact O-CB 3.49Å; E801-S804 PolarHBondContact O-N 3.08Å; E801-S804 VanDerWaalsContact O-N 3.09Å; E802-S804 VanDerWaalsContact C-N 3.35Å; E802-S804 PolarHBondContact O-N 3.44Å; S804-F806 PolarHBondContact O-N 3.14Å; S804-K807 WeakPolarHBondContact O-CB 3.29Å; S804-K807 PolarHBondContact O-N 2.81Å; S804-V808 PolarHBondContact O-N 3.24Å; S804-V808 VanDerWaalsContact O-N 3.1Å
805D91.6Very high87Confident17 Ų1756.3 Ų56.39%0.09132%0.315CS..Hα-helixtrans-62.3-43.9179-73.4-21.8000111.8E801 E802 K807 V808 A809 S841 N844E801-D805 PolarHBondContact O-N 3.19Å; E802-D805 PolarHBondContact O-N 3.36Å; D805-K807 VanDerWaalsContact C-N 3.32Å; D805-K807 PolarHBondContact O-N 3.25Å; D805-V808 WeakPolarHBondContact O-CB 3.45Å; D805-V808 PolarHBondContact O-N 3.06Å; D805-V808 VanDerWaalsContact O-N 3.15Å; D805-A809 PolarHBondContact O-N 3.35Å; D805-S841 WeakPolarHBondContact OD1-CA 3.48Å; D805-S841 WeakPolarHBondContact OD1-CB 3.36Å; D805-S841 PolarHBondContact OD1-OG 3.49Å; D805-N844 PolarHBondContact OD2-ND2 2.86Å
806F92.7Very high88.1Confident0 Ų051.1 Ų51.10%028%0.283CS..Hα-helixtrans-66.3-35.3177.6-157.9-96.4000112.3T680 V681 Y684 F723 Y798 E802 S804 V808 A809 L810 I845 L854T680-F806 HydrophobicContact CG2-CD2 3.62Å; T680-F806 HydrophobicContact CG2-CE2 4.09Å; V681-F806 HydrophobicContact CB-CE2 4.3Å; V681-F806 HydrophobicContact CB-CZ 4.19Å; V681-F806 HydrophobicContact CG2-CE2 3.68Å; V681-F806 HydrophobicContact CG2-CZ 3.71Å; Y684-F806 AromaticContact CD1-CD1 3.73Å; Y684-F806 HydrophobicContact CD1-CD1 3.73Å; Y684-F806 AromaticContact CD1-CE1 3.23Å; Y684-F806 HydrophobicContact CD1-CE1 3.23Å; Y684-F806 HydrophobicContact CD1-CZ 4.04Å; Y684-F806 HydrophobicContact CD2-CB 4.49Å; Y684-F806 AromaticContact CD2-CD1 3.31Å; Y684-F806 HydrophobicContact CD2-CD1 3.31Å; Y684-F806 AromaticContact CD2-CE1 3.78Å; Y684-F806 HydrophobicContact CD2-CE1 3.78Å; Y684-F806 HydrophobicContact CD2-CG 4.08Å; Y684-F806 HydrophobicContact CE1-CD1 4.12Å; Y684-F806 AromaticContact CE1-CE1 3.71Å; Y684-F806 HydrophobicContact CE1-CE1 3.71Å; Y684-F806 AromaticContact CE2-CD1 3.74Å; Y684-F806 HydrophobicContact CE2-CD1 3.74Å; Y684-F806 HydrophobicContact CE2-CE1 4.2Å; Y684-F806 AromaticContact CG-CD1 3.28Å; Y684-F806 HydrophobicContact CG-CD1 3.28Å; Y684-F806 AromaticContact CG-CE1 3.25Å; Y684-F806 HydrophobicContact CG-CE1 3.25Å; Y684-F806 HydrophobicContact CG-CG 4.1Å; Y684-F806 HydrophobicContact CG-CZ 4.06Å; F723-F806 HydrophobicContact CZ-CE1 4.07Å; F723-F806 HydrophobicContact CZ-CZ 4.19Å; Y798-F806 WeakPolarHBondContact OH-CB 2.99Å; E802-F806 WeakPolarHBondContact O-CB 3.44Å; E802-F806 PolarHBondContact O-N 3.11Å; S804-F806 PolarHBondContact O-N 3.14Å; F806-V808 VanDerWaalsContact C-N 3.3Å; F806-V808 PolarHBondContact O-N 3.49Å; F806-A809 WeakPolarHBondContact O-CB 3.25Å; F806-A809 PolarHBondContact O-N 2.98Å; F806-A809 VanDerWaalsContact O-N 3.16Å; F806-L810 HydrophobicContact CD1-CD1 3.71Å; F806-L810 HydrophobicContact CD1-CD2 4.43Å; F806-L810 HydrophobicContact CD1-CG 3.8Å; F806-L810 HydrophobicContact CE1-CD1 3.78Å; F806-L810 HydrophobicContact CE1-CD2 3.82Å; F806-L810 HydrophobicContact CE1-CG 3.7Å; F806-L810 WeakPolarHBondContact O-CG 3.33Å; F806-L810 PolarHBondContact O-N 3.29Å; F806-I845 HydrophobicContact CD2-CD1 3.59Å; F806-I845 HydrophobicContact CE2-CD1 4.23Å; F806-L854 HydrophobicContact CZ-CD1 4.46Å
807K92.6Very high89.1Confident113 Ų11349.5 Ų49.549%0.49127%0.267SS..Hα-helixtrans-62.6-36.8172.9-78.4171.8-176.5166.30112E803 S804 D805 L810 S811E803-K807 HydrophobicContact CG-CD 4.44Å; E803-K807 WeakPolarHBondContact O-CB 3.34Å; E803-K807 VanDerWaalsContact O-CG 3.27Å; E803-K807 WeakPolarHBondContact O-CG 3.36Å; E803-K807 PolarHBondContact O-N 3.45Å; E803-K807 VanDerWaalsContact OE1-CE 3.26Å; E803-K807 WeakPolarHBondContact OE1-CE 3.35Å; E803-K807 IonicContact OE1-NZ 3.93Å; E803-K807 PolarHBondContact OE1-NZ 3.06Å; S804-K807 WeakPolarHBondContact O-CB 3.29Å; S804-K807 PolarHBondContact O-N 2.81Å; D805-K807 VanDerWaalsContact C-N 3.32Å; D805-K807 PolarHBondContact O-N 3.25Å; K807-L810 PolarHBondContact O-N 2.98Å; K807-S811 WeakPolarHBondContact O-CB 3.31Å; K807-S811 PolarHBondContact O-N 2.92Å
808V92.5Very high90Very high38 Ų3850 Ų5023%0.2329%0.288CS..Hα-helixtrans-62.1-46.2171.5175.30000110.3S804 D805 F806 L810 S811 A812 V838S804-V808 PolarHBondContact O-N 3.24Å; S804-V808 VanDerWaalsContact O-N 3.1Å; D805-V808 WeakPolarHBondContact O-CB 3.45Å; D805-V808 PolarHBondContact O-N 3.06Å; D805-V808 VanDerWaalsContact O-N 3.15Å; F806-V808 VanDerWaalsContact C-N 3.3Å; F806-V808 PolarHBondContact O-N 3.49Å; V808-L810 PolarHBondContact O-N 2.94Å; V808-S811 WeakPolarHBondContact O-CB 3.48Å; V808-S811 PolarHBondContact O-N 3.37Å; V808-A812 WeakPolarHBondContact O-CB 3.4Å; V808-A812 PolarHBondContact O-N 3Å; V808-V838 HydrophobicContact CG1-CB 4.36Å; V808-V838 HydrophobicContact CG1-CG1 3.86Å; V808-V838 HydrophobicContact CG1-CG2 4.31Å
809A93Very high90.6Very high0 Ų053 Ų530%031%0.31CS..Hα-helixtrans-60.4-41.5176.900000112.8D805 F806 A812 R813 L842 I845 L854D805-A809 PolarHBondContact O-N 3.35Å; F806-A809 WeakPolarHBondContact O-CB 3.25Å; F806-A809 PolarHBondContact O-N 2.98Å; F806-A809 VanDerWaalsContact O-N 3.16Å; A809-A812 PolarHBondContact O-N 3.33Å; A809-R813 WeakPolarHBondContact O-CB 3.41Å; A809-R813 PolarHBondContact O-N 3.27Å; A809-L842 HydrophobicContact CB-CD2 3.8Å; A809-I845 HydrophobicContact CB-CD1 4.24Å; A809-I845 HydrophobicContact CB-CG1 4.27Å; A809-L854 HydrophobicContact CB-CD2 3.92Å
810L93.1Very high91.2Very high36 Ų3654.1 Ų54.119%0.18830%0.304CS..Hα-helixtrans-66.6-39.6175.8-70.8176.1000112.8Y684 F723 F806 K807 V808 R813 A814 L854Y684-L810 HydrophobicContact CE1-CD1 3.94Å; Y684-L810 HydrophobicContact CE2-CD1 4.03Å; Y684-L810 VanDerWaalsContact CZ-CD1 3.5Å; Y684-L810 VanDerWaalsContact OH-CD1 3.3Å; Y684-L810 WeakPolarHBondContact OH-CD1 3.49Å; F723-L810 HydrophobicContact CD2-CD2 4.45Å; F723-L810 HydrophobicContact CE2-CD2 3.57Å; F723-L810 HydrophobicContact CZ-CD2 3.87Å; F806-L810 HydrophobicContact CD1-CD1 3.71Å; F806-L810 HydrophobicContact CD1-CD2 4.43Å; F806-L810 HydrophobicContact CD1-CG 3.8Å; F806-L810 HydrophobicContact CE1-CD1 3.78Å; F806-L810 HydrophobicContact CE1-CD2 3.82Å; F806-L810 HydrophobicContact CE1-CG 3.7Å; F806-L810 WeakPolarHBondContact O-CG 3.33Å; F806-L810 PolarHBondContact O-N 3.29Å; K807-L810 PolarHBondContact O-N 2.98Å; V808-L810 PolarHBondContact O-N 2.94Å; L810-R813 PolarHBondContact O-N 2.84Å; L810-A814 WeakPolarHBondContact O-CB 3.46Å; L810-A814 PolarHBondContact O-N 3Å; L810-L854 HydrophobicContact CD2-CD1 4.35Å
811S93.1Very high91.3Very high58 Ų5849.2 Ų49.241%0.40629%0.287SS..Hα-helixtrans-62.4-45.4174.2-178.30000111.1K807 V808 A814 K815K807-S811 WeakPolarHBondContact O-CB 3.31Å; K807-S811 PolarHBondContact O-N 2.92Å; V808-S811 WeakPolarHBondContact O-CB 3.48Å; V808-S811 PolarHBondContact O-N 3.37Å; S811-A814 PolarHBondContact O-N 3.33Å; S811-K815 WeakPolarHBondContact O-CG 3.33Å; S811-K815 PolarHBondContact O-N 3.43Å
812A93.2Very high91.4Very high0 Ų048 Ų480%029%0.294CS..Hα-helixtrans-60.8-46.2175.100000111.7V808 A809 A814 K815 F816 F855 I873 F875V808-A812 WeakPolarHBondContact O-CB 3.4Å; V808-A812 PolarHBondContact O-N 3Å; A809-A812 PolarHBondContact O-N 3.33Å; A812-A814 VanDerWaalsContact C-N 3.35Å; A812-A814 PolarHBondContact O-N 2.88Å; A812-K815 PolarHBondContact O-N 2.93Å; A812-F816 WeakPolarHBondContact O-CB 3.4Å; A812-F816 PolarHBondContact O-N 3.17Å; A812-F855 HydrophobicContact CB-CE1 4.27Å; A812-F855 HydrophobicContact CB-CZ 3.76Å; A812-I873 HydrophobicContact CB-CD1 3.51Å; A812-F875 VanDerWaalsContact O-CZ 3.32Å; A812-F875 WeakPolarHBondContact O-CZ 3.23Å
813R93Very high91.3Very high38 Ų3850.1 Ų50.114%0.14330%0.304CS..Hα-helixtrans-57.4-45.9174.9178.4-172.7-179.6-1030.8111.9A809 L810 K815 F816 L817 L854 F855A809-R813 WeakPolarHBondContact O-CB 3.41Å; A809-R813 PolarHBondContact O-N 3.27Å; L810-R813 PolarHBondContact O-N 2.84Å; R813-K815 PolarHBondContact O-N 3.49Å; R813-F816 PolarHBondContact O-N 3.15Å; R813-L817 HydrophobicContact CG-CD1 3.96Å; R813-L817 HydrophobicContact CG-CG 4.35Å; R813-L817 WeakPolarHBondContact O-CB 3.33Å; R813-L817 WeakPolarHBondContact O-CG 3.41Å; R813-L817 PolarHBondContact O-N 3.2Å; R813-L854 VanDerWaalsContact CD-O 3.22Å; R813-L854 WeakPolarHBondContact CD-O 3.44Å; R813-L854 PolarHBondContact NE-O 3.08Å; R813-F855 HydrophobicContact CB-CE1 4.35Å; R813-F855 HydrophobicContact CB-CZ 4.43Å
814A92Very high91.1Very high59 Ų5954.2 Ų54.249%0.48832%0.323SS..Hα-helixtrans-61.8-44.2179.400000111.7L810 S811 A812 L817 A818L810-A814 WeakPolarHBondContact O-CB 3.46Å; L810-A814 PolarHBondContact O-N 3Å; S811-A814 PolarHBondContact O-N 3.33Å; A812-A814 VanDerWaalsContact C-N 3.35Å; A812-A814 PolarHBondContact O-N 2.88Å; A814-L817 PolarHBondContact O-N 2.85Å; A814-A818 WeakPolarHBondContact O-CB 3.42Å; A814-A818 PolarHBondContact O-N 3.42Å
815K93.7Very high91.1Very high89 Ų8951.6 Ų51.639%0.38730%0.304SS..Hα-helixtrans-62.8-41.2175.4-67.4174.9-177.31780112.1S811 A812 R813 A818 S819 F875S811-K815 WeakPolarHBondContact O-CG 3.33Å; S811-K815 PolarHBondContact O-N 3.43Å; A812-K815 PolarHBondContact O-N 2.93Å; R813-K815 PolarHBondContact O-N 3.49Å; K815-A818 PolarHBondContact O-N 3.39Å; K815-S819 PolarHBondContact O-N 3.45Å; K815-S819 PolarHBondContact O-OG 2.81Å; K815-F875 HydrophobicContact CB-CE2 3.75Å; K815-F875 HydrophobicContact CB-CZ 3.98Å
816F94Very high90.9Very high0 Ų052.2 Ų52.20%031%0.307CS..Hα-helixtrans-63.9-49.9176.8174.8-104000111.7A812 R813 A818 S819 Y820 T825 L830 F855 V857 F875 V877A812-F816 WeakPolarHBondContact O-CB 3.4Å; A812-F816 PolarHBondContact O-N 3.17Å; R813-F816 PolarHBondContact O-N 3.15Å; F816-A818 VanDerWaalsContact C-N 3.3Å; F816-A818 PolarHBondContact O-N 2.93Å; F816-S819 PolarHBondContact O-N 2.98Å; F816-Y820 AromaticContact CD2-CD2 3.6Å; F816-Y820 HydrophobicContact CD2-CD2 3.6Å; F816-Y820 HydrophobicContact CD2-CE2 4.32Å; F816-Y820 HydrophobicContact CD2-CG 4.33Å; F816-Y820 AromaticContact CE2-CD2 3.53Å; F816-Y820 HydrophobicContact CE2-CD2 3.53Å; F816-Y820 HydrophobicContact CE2-CE2 4.32Å; F816-Y820 AromaticContact CE2-CG 3.87Å; F816-Y820 HydrophobicContact CE2-CG 3.87Å; F816-Y820 HydrophobicContact CZ-CD2 4.45Å; F816-Y820 HydrophobicContact CZ-CG 4.41Å; F816-Y820 PolarHBondContact O-N 3.39Å; F816-T825 HydrophobicContact CE1-CG2 3.84Å; F816-T825 HydrophobicContact CZ-CG2 3.9Å; F816-L830 HydrophobicContact CD2-CD1 3.9Å; F816-L830 HydrophobicContact CD2-CD2 4.06Å; F816-L830 HydrophobicContact CE2-CD1 3.69Å; F816-L830 HydrophobicContact CE2-CD2 4.03Å; F816-L830 HydrophobicContact CE2-CG 4.42Å; F816-L830 HydrophobicContact CG-CD2 4.4Å; F816-L830 HydrophobicContact CZ-CD2 4.31Å; F816-F855 HydrophobicContact CB-CD1 3.84Å; F816-F855 HydrophobicContact CB-CE1 3.9Å; F816-F855 HydrophobicContact CD1-CB 4.47Å; F816-F855 AromaticContact CD1-CD1 3.8Å; F816-F855 HydrophobicContact CD1-CD1 3.8Å; F816-F855 WeakPolarHBondContact CE1-O 3.5Å; F816-F855 AromaticContact CG-CD1 3.83Å; F816-F855 HydrophobicContact CG-CD1 3.83Å; F816-F855 HydrophobicContact CG-CE1 4.35Å; F816-V857 HydrophobicContact CE1-CG1 3.87Å; F816-V857 HydrophobicContact CZ-CG1 3.67Å; F816-F875 HydrophobicContact CB-CD1 4.43Å; F816-F875 HydrophobicContact CB-CE1 4.01Å; F816-F875 HydrophobicContact CB-CE2 4.15Å; F816-F875 HydrophobicContact CB-CZ 3.87Å; F816-F875 HydrophobicContact CD2-CD1 4.22Å; F816-F875 HydrophobicContact CD2-CG 4.21Å; F816-V877 HydrophobicContact CE2-CG2 3.97Å
817L90.1Very high90.8Very high52 Ų5255 Ų5527%0.27232%0.32SS..Hα-helixtrans-64.6-33.3179.2-69.5177000112.4R813 A814 S819 G821R813-L817 HydrophobicContact CG-CD1 3.96Å; R813-L817 HydrophobicContact CG-CG 4.35Å; R813-L817 WeakPolarHBondContact O-CB 3.33Å; R813-L817 WeakPolarHBondContact O-CG 3.41Å; R813-L817 PolarHBondContact O-N 3.2Å; A814-L817 PolarHBondContact O-N 2.85Å; L817-S819 PolarHBondContact O-N 3.01Å; L817-G821 WeakPolarHBondContact O-CA 3.43Å; L817-G821 PolarHBondContact O-N 2.88Å
818A91Very high90.8Very high91 Ų9151.3 Ų51.375%0.75230%0.303SS*.Hα-helixtrans-63.3-32.5172.400000112.5A814 K815 F816A814-A818 WeakPolarHBondContact O-CB 3.42Å; A814-A818 PolarHBondContact O-N 3.42Å; K815-A818 PolarHBondContact O-N 3.39Å; F816-A818 VanDerWaalsContact C-N 3.3Å; F816-A818 PolarHBondContact O-N 2.93Å
819S91.6Very high90.9Very high72 Ų7251.5 Ų51.550%0.50330%0.301SS..Hα-helixtrans-89.1-36.8-177.1-53.80000113.1K815 F816 L817K815-S819 PolarHBondContact O-N 3.45Å; K815-S819 PolarHBondContact O-OG 2.81Å; F816-S819 PolarHBondContact O-N 2.98Å; L817-S819 PolarHBondContact O-N 3.01Å
820Y91.9Very high91Very high59 Ų5951.5 Ų51.523%0.23130%0.301CS..Hα-helixtrans-127.6-4.9-169-63.7-82.4000114.7F816 S822 Q823 T825 F875 V877F816-Y820 AromaticContact CD2-CD2 3.6Å; F816-Y820 HydrophobicContact CD2-CD2 3.6Å; F816-Y820 HydrophobicContact CD2-CE2 4.32Å; F816-Y820 HydrophobicContact CD2-CG 4.33Å; F816-Y820 AromaticContact CE2-CD2 3.53Å; F816-Y820 HydrophobicContact CE2-CD2 3.53Å; F816-Y820 HydrophobicContact CE2-CE2 4.32Å; F816-Y820 AromaticContact CE2-CG 3.87Å; F816-Y820 HydrophobicContact CE2-CG 3.87Å; F816-Y820 HydrophobicContact CZ-CD2 4.45Å; F816-Y820 HydrophobicContact CZ-CG 4.41Å; F816-Y820 PolarHBondContact O-N 3.39Å; Y820-S822 PolarHBondContact O-N 3.31Å; Y820-S822 VanDerWaalsContact O-N 3.1Å; Y820-Q823 WeakPolarHBondContact O-CB 3.43Å; Y820-Q823 PolarHBondContact O-N 3.44Å; Y820-T825 WeakPolarHBondContact O-CG2 3.39Å; Y820-F875 HydrophobicContact CE2-CB 4.02Å; Y820-V877 HydrophobicContact CD1-CB 4.45Å; Y820-V877 HydrophobicContact CD1-CG1 4.46Å; Y820-V877 HydrophobicContact CD1-CG2 4.02Å; Y820-V877 HydrophobicContact CD2-CG2 4.03Å; Y820-V877 HydrophobicContact CE1-CB 3.95Å; Y820-V877 HydrophobicContact CE1-CG1 4.4Å; Y820-V877 HydrophobicContact CE1-CG2 3.62Å; Y820-V877 HydrophobicContact CE2-CG2 3.65Å; Y820-V877 HydrophobicContact CG-CG2 4.21Å; Y820-V877 VanDerWaalsContact CZ-CG2 3.42Å
821G85.2Confident91Very high41 Ų4150.3 Ų50.342%0.42330%0.296SS..THydrogen-bonded Turntrans-67.1-12.1-172.100000115.6L817L817-G821 WeakPolarHBondContact O-CA 3.43Å; L817-G821 PolarHBondContact O-N 2.88Å
822S87.4Confident91.1Very high116 Ų11647.5 Ų47.581%0.81128%0.277SS*.THydrogen-bonded Turntrans-76.4-10.8171.257.30000113.4Y820Y820-S822 PolarHBondContact O-N 3.31Å; Y820-S822 VanDerWaalsContact O-N 3.1Å
823Q87.3Confident91Very high83 Ų8348.9 Ų48.939%0.38829%0.286SS..SBendtrans-103.8164.3-177-52.2178.122.900110.7Y820 T825 Y828Y820-Q823 WeakPolarHBondContact O-CB 3.43Å; Y820-Q823 PolarHBondContact O-N 3.44Å; Q823-T825 PolarHBondContact O-N 3.28Å; Q823-Y828 HydrophobicContact CB-CE2 4.02Å; Q823-Y828 VanDerWaalsContact OE1-CE2 3.25Å; Q823-Y828 VanDerWaalsContact OE1-CZ 3.23Å; Q823-Y828 PolarHBondContact OE1-OH 3.22Å
824H84.8Confident91.1Very high110 Ų11047.1 Ų47.151%0.50928%0.28SS..  trans-76.576.7172-170.9-67000110.4M826 Q827H824-M826 PolarHBondContact O-N 3.19Å; H824-Q827 VanDerWaalsContact O-CG 3.25Å; H824-Q827 WeakPolarHBondContact O-CG 3.17Å; H824-Q827 PolarHBondContact O-N 3.43Å; H824-Q827 VanDerWaalsContact O-N 3.16Å
825T89.3Confident91.1Very high12 Ų1245.2 Ų45.27%0.07426%0.262CS..G310 helixtrans-57.2-26.1-170.152.90000114.6F816 Y820 Q823 Q827 Y828 L856F816-T825 HydrophobicContact CE1-CG2 3.84Å; F816-T825 HydrophobicContact CZ-CG2 3.9Å; Y820-T825 WeakPolarHBondContact O-CG2 3.39Å; Q823-T825 PolarHBondContact O-N 3.28Å; T825-Q827 PolarHBondContact O-N 2.94Å; T825-Y828 WeakPolarHBondContact O-CB 3.31Å; T825-Y828 PolarHBondContact O-N 3.09Å; T825-L856 CarbonylContact C-O 3.47Å; T825-L856 VanDerWaalsContact CB-O 3.25Å; T825-L856 WeakPolarHBondContact CB-O 3.39Å; T825-L856 PolarHBondContact OG1-O 2.85Å
826M87.7Confident90.8Very high29 Ų2942.7 Ų42.714%0.14326%0.257CS..G310 helixtrans-62.9-9.6179.5-63.9-74.3-70.800114.2H824 L856 S858 R890 Y891H824-M826 PolarHBondContact O-N 3.19Å; M826-L856 WeakPolarHBondContact CA-O 3.46Å; M826-L856 WeakPolarHBondContact CG-O 3.5Å; M826-L856 PolarHBondContact N-O 2.79Å; M826-L856 VanDerWaalsContact SD-CA 3.53Å; M826-L856 HydrophobicContact SD-CB 3.95Å; M826-S858 WeakPolarHBondContact O-CB 3.14Å; M826-R890 HydrophobicContact CE-CB 4.37Å; M826-R890 HydrophobicContact CE-CG 3.57Å; M826-Y891 WeakPolarHBondContact O-CD2 3.3Å
827Q90.3Very high90.6Very high60 Ų6045.4 Ų45.428%0.2828%0.28SS..G310 helixtrans-89.7-3.1174.480.6-166.4-14.600113.7H824 T825 S880 Y891H824-Q827 VanDerWaalsContact O-CG 3.25Å; H824-Q827 WeakPolarHBondContact O-CG 3.17Å; H824-Q827 PolarHBondContact O-N 3.43Å; H824-Q827 VanDerWaalsContact O-N 3.16Å; T825-Q827 PolarHBondContact O-N 2.94Å; Q827-S880 VanDerWaalsContact O-CB 3.27Å; Q827-S880 WeakPolarHBondContact O-CB 3.27Å; Q827-S880 PolarHBondContact O-N 3.11Å; Q827-Y891 VanDerWaalsContact CA-CD2 3.43Å; Q827-Y891 HydrophobicContact CB-CD2 3.66Å; Q827-Y891 HydrophobicContact CB-CE1 4.38Å; Q827-Y891 HydrophobicContact CB-CE2 3.36Å; Q827-Y891 HydrophobicContact CB-CG 4.27Å
828Y93.3Very high90.6Very high34 Ų3443.3 Ų43.313%0.13327%0.269CS..EExtended strand (participates in β ladder)trans-104.9143.2-172.4-57.5-43.2000113.3Q823 T825 S858 V877 S878Q823-Y828 HydrophobicContact CB-CE2 4.02Å; Q823-Y828 VanDerWaalsContact OE1-CE2 3.25Å; Q823-Y828 VanDerWaalsContact OE1-CZ 3.23Å; Q823-Y828 PolarHBondContact OE1-OH 3.22Å; T825-Y828 WeakPolarHBondContact O-CB 3.31Å; T825-Y828 PolarHBondContact O-N 3.09Å; Y828-S858 WeakPolarHBondContact O-CA 3.43Å; Y828-S858 VanDerWaalsContact O-CB 3.23Å; Y828-S858 WeakPolarHBondContact O-CB 3.46Å; Y828-S858 PolarHBondContact O-N 3.13Å; Y828-V877 VanDerWaalsContact CB-CG1 3.49Å; Y828-V877 HydrophobicContact CD1-CG1 3.89Å; Y828-V877 HydrophobicContact CD2-CG1 3.42Å; Y828-V877 VanDerWaalsContact CD2-CG1 3.42Å; Y828-V877 HydrophobicContact CE2-CG1 4.09Å; Y828-V877 HydrophobicContact CG-CG1 3.32Å; Y828-S878 CarbonylContact C-O 3.5Å; Y828-S878 VanDerWaalsContact CA-O 3.24Å; Y828-S878 WeakPolarHBondContact CA-O 3.42Å
829H94.3Very high90.7Very high43 Ų4339.7 Ų39.720%0.19924%0.237CC..EExtended strand (participates in β ladder)trans-81129154.3175.277.6000108.8T859 E861 S878H829-T859 PolarHBondContact ND1-OG1 3.22Å; H829-E861 IonicContact NE2-OE2 3.45Å; H829-E861 PolarHBondContact NE2-OE2 3.35Å; H829-S878 PolarHBondContact N-O 3.11Å; H829-S878 PolarHBondContact O-N 3.26Å
830L94.1Very high90.7Very high0 Ų044 Ų440%024%0.242CC..EExtended strand (participates in β ladder)trans-112.6112.5-179.4174.461.2000109.9F816 I832 F855 V857 T859 V860 E861 F875 V877F816-L830 HydrophobicContact CD2-CD1 3.9Å; F816-L830 HydrophobicContact CD2-CD2 4.06Å; F816-L830 HydrophobicContact CE2-CD1 3.69Å; F816-L830 HydrophobicContact CE2-CD2 4.03Å; F816-L830 HydrophobicContact CE2-CG 4.42Å; F816-L830 HydrophobicContact CG-CD2 4.4Å; F816-L830 HydrophobicContact CZ-CD2 4.31Å; L830-I832 HydrophobicContact CD1-CG1 4.29Å; L830-I832 HydrophobicContact CD2-CD1 3.98Å; L830-I832 HydrophobicContact CD2-CG1 3.96Å; L830-I832 HydrophobicContact CG-CD1 4.34Å; L830-I832 HydrophobicContact CG-CG1 3.79Å; L830-F855 HydrophobicContact CD2-CB 3.98Å; L830-F855 HydrophobicContact CD2-CD1 3.52Å; L830-F855 HydrophobicContact CD2-CE1 4.16Å; L830-F855 HydrophobicContact CD2-CG 3.84Å; L830-V857 HydrophobicContact CB-CB 4.36Å; L830-V857 HydrophobicContact CB-CG1 4.11Å; L830-V857 HydrophobicContact CB-CG2 4.14Å; L830-V857 HydrophobicContact CD2-CG1 4.21Å; L830-V857 HydrophobicContact CD2-CG2 4.45Å; L830-T859 PolarHBondContact N-O 3.24Å; L830-V860 CarbonylContact O-C 3.14Å; L830-V860 VanDerWaalsContact O-CA 3.28Å; L830-V860 WeakPolarHBondContact O-CA 3.46Å; L830-E861 PolarHBondContact O-N 2.66Å; L830-F875 HydrophobicContact CD1-CB 4.14Å; L830-F875 HydrophobicContact CD1-CD1 4.03Å; L830-F875 HydrophobicContact CD1-CG 4.49Å; L830-V877 HydrophobicContact CD1-CG2 4.01Å
831A94.3Very high90.7Very high10 Ų1041.8 Ų41.88%0.08324%0.235CC..EExtended strand (participates in β ladder)trans-95.1118.3166.600000109.4E861 S876A831-E861 CarbonylContact C-O 3.58Å; A831-E861 WeakPolarHBondContact CA-O 3.43Å; A831-E861 HydrophobicContact CB-CB 4.32Å; A831-S876 PolarHBondContact N-O 3.4Å; A831-S876 PolarHBondContact O-N 3.19Å
832I93.5Very high91.1Very high0 Ų039.8 Ų39.80%022%0.215CC..EExtended strand (participates in β ladder)trans-100.9120.5176.9-52.7-178.6000107.7L830 L842 F855 V860 E861 L862 K863 I873 F875L830-I832 HydrophobicContact CD1-CG1 4.29Å; L830-I832 HydrophobicContact CD2-CD1 3.98Å; L830-I832 HydrophobicContact CD2-CG1 3.96Å; L830-I832 HydrophobicContact CG-CD1 4.34Å; L830-I832 HydrophobicContact CG-CG1 3.79Å; I832-L842 HydrophobicContact CD1-CD1 4.21Å; I832-L842 HydrophobicContact CG2-CD1 3.84Å; I832-F855 HydrophobicContact CD1-CD1 4.46Å; I832-F855 HydrophobicContact CD1-CE1 3.88Å; I832-F855 HydrophobicContact CD1-CE2 3.97Å; I832-F855 HydrophobicContact CD1-CZ 3.59Å; I832-V860 HydrophobicContact CD1-CG1 4.13Å; I832-V860 HydrophobicContact CG1-CG1 4.44Å; I832-E861 PolarHBondContact N-O 2.71Å; I832-L862 HydrophobicContact CB-CD2 3.99Å; I832-L862 HydrophobicContact CD1-CD2 4.17Å; I832-L862 HydrophobicContact CG1-CD2 4.39Å; I832-K863 PolarHBondContact O-N 2.73Å; I832-I873 HydrophobicContact CG2-CG2 3.56Å; I832-F875 HydrophobicContact CG1-CD1 4.29Å; I832-F875 HydrophobicContact CG1-CE1 4.45Å; I832-F875 HydrophobicContact CG2-CE1 4.35Å
833S92.6Very high91.3Very high28 Ų2838.1 Ų38.120%0.19620%0.2CC..EExtended strand (participates in β ladder)trans-119.6131.8175.1-164.50000112.2K863 N865 V874S833-K863 WeakPolarHBondContact CA-O 3.48Å; S833-K863 WeakPolarHBondContact CB-O 3.09Å; S833-K863 PolarHBondContact OG-O 2.7Å; S833-N865 WeakPolarHBondContact OG-CB 3.47Å; S833-V874 PolarHBondContact N-O 3.32Å; S833-V874 PolarHBondContact O-N 3.31Å
834S93.7Very high91.5Very high1 Ų137.4 Ų37.41%0.00720%0.199CC..EExtended strand (participates in β ladder)trans-160.6-179.4-177.5-165.10000110.1V838 K863 N865 S872S834-V838 VanDerWaalsContact OG-CB 3.31Å; S834-V838 WeakPolarHBondContact OG-CB 3.39Å; S834-V838 WeakPolarHBondContact OG-CG1 3.47Å; S834-K863 PolarHBondContact N-O 3.18Å; S834-N865 PolarHBondContact O-N 2.83Å; S834-S872 PolarHBondContact OG-O 2.87Å; S834-S872 VanDerWaalsContact OG-O 3.05Å
835N92.1Very high91.7Very high20 Ų2032.3 Ų32.311%0.10718%0.176CC..  trans-62.2166.1171.87428.1000112.8A837 V838 I839 A868 D870 D871N835-A837 VanDerWaalsContact C-N 3.26Å; N835-A837 PolarHBondContact O-N 2.86Å; N835-A837 PolarHBondContact OD1-N 2.89Å; N835-A837 VanDerWaalsContact OD1-N 3.12Å; N835-V838 PolarHBondContact O-N 2.73Å; N835-V838 WeakPolarHBondContact OD1-CG2 3.19Å; N835-V838 PolarHBondContact OD1-N 3.04Å; N835-I839 WeakPolarHBondContact O-CG1 3.33Å; N835-I839 PolarHBondContact O-N 2.81Å; N835-I839 VanDerWaalsContact O-N 3.09Å; N835-A868 HydrophobicContact CB-CB 4.31Å; N835-A868 WeakPolarHBondContact CB-O 3.46Å; N835-D870 PolarHBondContact ND2-O 3.23Å; N835-D871 PolarHBondContact ND2-OD1 3.43Å
836A89.2Confident91.3Very high35 Ų3535.9 Ų35.929%0.28920%0.197SC..Hα-helixtrans-57.6-35.6-17700000113.6R840 E864A836-R840 VanDerWaalsContact O-CB 3.24Å; A836-R840 WeakPolarHBondContact O-CB 3.08Å; A836-R840 PolarHBondContact O-N 2.9Å; A836-E864 HydrophobicContact CB-CG 4.24Å; A836-E864 VanDerWaalsContact CB-OE1 3.26Å; A836-E864 WeakPolarHBondContact CB-OE1 3.41Å
837A89.6Confident91.1Very high57 Ų5737 Ų3747%0.47121%0.206SC..Hα-helixtrans-68.3-49.2-177.800000111.2N835 I839 R840 S841N835-A837 VanDerWaalsContact C-N 3.26Å; N835-A837 PolarHBondContact O-N 2.86Å; N835-A837 PolarHBondContact OD1-N 2.89Å; N835-A837 VanDerWaalsContact OD1-N 3.12Å; A837-I839 PolarHBondContact O-N 3.5Å; A837-R840 WeakPolarHBondContact O-CB 3.24Å; A837-R840 PolarHBondContact O-N 2.87Å; A837-S841 PolarHBondContact O-N 3.13Å; A837-S841 PolarHBondContact O-OG 3.12Å
838V90.5Very high90.5Very high9 Ų937.6 Ų37.66%0.05522%0.222CC..Hα-helixtrans-63.8-43.3178.11720000111.3V808 S834 N835 R840 S841 L842 D871 I873V808-V838 HydrophobicContact CG1-CB 4.36Å; V808-V838 HydrophobicContact CG1-CG1 3.86Å; V808-V838 HydrophobicContact CG1-CG2 4.31Å; S834-V838 VanDerWaalsContact OG-CB 3.31Å; S834-V838 WeakPolarHBondContact OG-CB 3.39Å; S834-V838 WeakPolarHBondContact OG-CG1 3.47Å; N835-V838 PolarHBondContact O-N 2.73Å; N835-V838 WeakPolarHBondContact OD1-CG2 3.19Å; N835-V838 PolarHBondContact OD1-N 3.04Å; V838-R840 VanDerWaalsContact C-N 3.31Å; V838-R840 PolarHBondContact O-N 3.12Å; V838-S841 PolarHBondContact O-N 2.93Å; V838-L842 HydrophobicContact CG1-CD1 4.29Å; V838-L842 WeakPolarHBondContact O-CG 3.33Å; V838-L842 PolarHBondContact O-N 2.82Å; V838-D871 HydrophobicContact CG2-CB 4.25Å; V838-I873 HydrophobicContact CG1-CD1 4.07Å; V838-I873 HydrophobicContact CG1-CG1 4.19Å
839I92.3Very high89.9Confident14 Ų1439.1 Ų39.17%0.07224%0.237CC..Hα-helixtrans-64.1-38.2177.9-65.7-62.4000111.1N835 A837 L842 T843 L862N835-I839 WeakPolarHBondContact O-CG1 3.33Å; N835-I839 PolarHBondContact O-N 2.81Å; N835-I839 VanDerWaalsContact O-N 3.09Å; A837-I839 PolarHBondContact O-N 3.5Å; I839-L842 PolarHBondContact O-N 2.9Å; I839-T843 WeakPolarHBondContact O-CB 3.42Å; I839-T843 PolarHBondContact O-N 3.09Å; I839-T843 PolarHBondContact O-OG1 3.27Å; I839-L862 HydrophobicContact CD1-CB 4.29Å; I839-L862 HydrophobicContact CG2-CB 4.24Å
840R91.5Very high89.6Confident162 Ų16237.3 Ų37.361%0.61123%0.229SC*.Hα-helixtrans-61.1-48.8173.2-173.4-177.4-57.2167.54.3111.6A836 A837 V838 L842 T843 N844A836-R840 VanDerWaalsContact O-CB 3.24Å; A836-R840 WeakPolarHBondContact O-CB 3.08Å; A836-R840 PolarHBondContact O-N 2.9Å; A837-R840 WeakPolarHBondContact O-CB 3.24Å; A837-R840 PolarHBondContact O-N 2.87Å; V838-R840 VanDerWaalsContact C-N 3.31Å; V838-R840 PolarHBondContact O-N 3.12Å; R840-L842 VanDerWaalsContact C-N 3.29Å; R840-L842 PolarHBondContact O-N 2.82Å; R840-T843 WeakPolarHBondContact O-CB 3.46Å; R840-T843 PolarHBondContact O-N 2.82Å; R840-N844 VanDerWaalsContact O-CG 3.31Å; R840-N844 PolarHBondContact O-N 2.85Å; R840-N844 PolarHBondContact O-OD1 3.23Å
841S92.2Very high89.4Confident13 Ų1337.6 Ų37.69%0.09123%0.231CC..Hα-helixtrans-57.1-41.3176.6-65.50000112.9D805 A837 V838 N844D805-S841 WeakPolarHBondContact OD1-CA 3.48Å; D805-S841 WeakPolarHBondContact OD1-CB 3.36Å; D805-S841 PolarHBondContact OD1-OG 3.49Å; A837-S841 PolarHBondContact O-N 3.13Å; A837-S841 PolarHBondContact O-OG 3.12Å; V838-S841 PolarHBondContact O-N 2.93Å; S841-N844 PolarHBondContact O-N 3.47Å
842L92.5Very high89.3Confident0 Ų038.2 Ų38.20%023%0.233CC..Hα-helixtrans-68.7-36.3175.3-66.4175.6000112.3A809 I832 V838 I839 R840 N844 I845 L851 L862A809-L842 HydrophobicContact CB-CD2 3.8Å; I832-L842 HydrophobicContact CD1-CD1 4.21Å; I832-L842 HydrophobicContact CG2-CD1 3.84Å; V838-L842 HydrophobicContact CG1-CD1 4.29Å; V838-L842 WeakPolarHBondContact O-CG 3.33Å; V838-L842 PolarHBondContact O-N 2.82Å; I839-L842 PolarHBondContact O-N 2.9Å; R840-L842 VanDerWaalsContact C-N 3.29Å; R840-L842 PolarHBondContact O-N 2.82Å; L842-N844 VanDerWaalsContact C-N 3.28Å; L842-N844 PolarHBondContact O-N 3.35Å; L842-I845 WeakPolarHBondContact O-CB 3.43Å; L842-I845 WeakPolarHBondContact O-CG1 3.43Å; L842-I845 PolarHBondContact O-N 3.19Å; L842-L851 HydrophobicContact CD2-CD2 4.19Å; L842-L862 HydrophobicContact CB-CD1 3.87Å; L842-L862 HydrophobicContact CB-CD2 4.1Å; L842-L862 HydrophobicContact CD1-CD2 3.9Å
843T92.7Very high89Confident81 Ų8138.7 Ų38.750%0.49724%0.236SC..Hα-helixtrans-68.5-28.6178.2-55.20000112I839 R840 I845I839-T843 WeakPolarHBondContact O-CB 3.42Å; I839-T843 PolarHBondContact O-N 3.09Å; I839-T843 PolarHBondContact O-OG1 3.27Å; R840-T843 WeakPolarHBondContact O-CB 3.46Å; R840-T843 PolarHBondContact O-N 2.82Å; T843-I845 PolarHBondContact O-N 3.38Å
844N91.6Very high89Confident68 Ų6837.4 Ų37.436%0.36423%0.226SC..THydrogen-bonded Turntrans-71.9-6.8176.7-70.7-10.8000113.6D805 R840 S841 L842 V846D805-N844 PolarHBondContact OD2-ND2 2.86Å; R840-N844 VanDerWaalsContact O-CG 3.31Å; R840-N844 PolarHBondContact O-N 2.85Å; R840-N844 PolarHBondContact O-OD1 3.23Å; S841-N844 PolarHBondContact O-N 3.47Å; L842-N844 VanDerWaalsContact C-N 3.28Å; L842-N844 PolarHBondContact O-N 3.35Å; N844-V846 PolarHBondContact O-N 3.35Å
845I87.7Confident88.9Confident3 Ų337.3 Ų37.32%0.01523%0.226CC..SBendtrans-77.5115.3172.9-53.5-55.7000109.6T680 F806 A809 L842 T843 P847 E850 L851T680-I845 HydrophobicContact CG2-CD1 3.78Å; F806-I845 HydrophobicContact CD2-CD1 3.59Å; F806-I845 HydrophobicContact CE2-CD1 4.23Å; A809-I845 HydrophobicContact CB-CD1 4.24Å; A809-I845 HydrophobicContact CB-CG1 4.27Å; L842-I845 WeakPolarHBondContact O-CB 3.43Å; L842-I845 WeakPolarHBondContact O-CG1 3.43Å; L842-I845 PolarHBondContact O-N 3.19Å; T843-I845 PolarHBondContact O-N 3.38Å; I845-P847 CarbonylContact O-C 3.52Å; I845-E850 HydrophobicContact CG2-CB 3.81Å; I845-L851 HydrophobicContact CB-CD2 3.99Å; I845-L851 HydrophobicContact CB-CG 4.25Å; I845-L851 HydrophobicContact CG1-CD2 3.95Å; I845-L851 HydrophobicContact CG2-CD2 4.15Å; I845-L851 HydrophobicContact CG2-CG 4.32Å
846V82.3Confident88.8Confident86 Ų8638.1 Ų38.152%0.52123%0.23SC..SBendtrans-128.9130.9-170.9-1800000111.6T680 N844 E850T680-V846 PolarHBondContact N-O 3.27Å; T680-V846 PolarHBondContact OG1-N 2.8Å; T680-V846 PolarHBondContact OG1-O 3.18Å; N844-V846 PolarHBondContact O-N 3.35Å; V846-E850 VanDerWaalsContact C-OE1 3.32Å
847P82.4Confident88.9Confident52 Ų5236.5 Ų36.534%0.33822%0.217SC..SBendcis-72.1156.2-128.4-37.2000113.3I845 S849 E850I845-P847 CarbonylContact O-C 3.52Å; P847-S849 WeakPolarHBondContact CG-OG 3.23Å; P847-S849 PolarHBondContact O-N 2.99Å; P847-E850 WeakPolarHBondContact CD-OE1 3.42Å; P847-E850 HydrophobicContact CG-CG 4.33Å; P847-E850 VanDerWaalsContact O-CB 3.25Å; P847-E850 WeakPolarHBondContact O-CB 3.31Å; P847-E850 WeakPolarHBondContact O-CG 3.09Å; P847-E850 PolarHBondContact O-N 3.34Å
848A78.4Confident89Confident73 Ų7334 Ų3460%0.60320%0.196SC*.THydrogen-bonded Turntrans-56.1-22.3178.900000113.9E850 L851A848-E850 PolarHBondContact O-N 3.07Å; A848-L851 PolarHBondContact O-N 3.4Å
849S81.1Confident89.1Confident67 Ų6735.1 Ų35.147%0.46920%0.203SC..Hα-helixtrans-61.5-22.3171.852.20000113.4P847 L851 V852 D853P847-S849 WeakPolarHBondContact CG-OG 3.23Å; P847-S849 PolarHBondContact O-N 2.99Å; S849-L851 VanDerWaalsContact C-N 3.33Å; S849-L851 PolarHBondContact O-N 2.97Å; S849-V852 WeakPolarHBondContact O-CB 3.3Å; S849-V852 PolarHBondContact O-N 3.32Å; S849-D853 PolarHBondContact O-N 3.38Å
850E86.5Confident89.1Confident5 Ų536 Ų362%0.02321%0.209CC..Hα-helixtrans-64.8-34.3174.6-75.7-178-151.500112.9S679 T680 V681 I845 V846 P847 A848 V852 D853 L854S679-E850 VanDerWaalsContact C-OE1 3.25Å; S679-E850 WeakPolarHBondContact CA-OE1 3.42Å; S679-E850 WeakPolarHBondContact CB-OE1 3.17Å; S679-E850 PolarHBondContact OG-OE1 3.2Å; T680-E850 WeakPolarHBondContact CB-OE2 3.31Å; T680-E850 PolarHBondContact N-OE1 3.12Å; T680-E850 PolarHBondContact N-OE2 3.43Å; V681-E850 HydrophobicContact CG2-CB 4.3Å; V681-E850 HydrophobicContact CG2-CG 4.38Å; V681-E850 WeakPolarHBondContact CG2-OE2 3.41Å; V681-E850 PolarHBondContact N-OE2 2.97Å; I845-E850 HydrophobicContact CG2-CB 3.81Å; V846-E850 VanDerWaalsContact C-OE1 3.32Å; P847-E850 WeakPolarHBondContact CD-OE1 3.42Å; P847-E850 HydrophobicContact CG-CG 4.33Å; P847-E850 VanDerWaalsContact O-CB 3.25Å; P847-E850 WeakPolarHBondContact O-CB 3.31Å; P847-E850 WeakPolarHBondContact O-CG 3.09Å; P847-E850 PolarHBondContact O-N 3.34Å; A848-E850 PolarHBondContact O-N 3.07Å; E850-V852 PolarHBondContact O-N 3.39Å; E850-D853 CarbonylContact O-C 3.54Å; E850-D853 PolarHBondContact O-N 2.8Å; E850-D853 VanDerWaalsContact O-N 3.16Å; E850-L854 WeakPolarHBondContact O-CB 3.1Å; E850-L854 PolarHBondContact O-N 3.15Å
851L91.5Very high89.2Confident6 Ų631.8 Ų31.83%0.03120%0.196CC..Hα-helixtrans-60.3-38.3175.3-67.9174.4000110.3L842 I845 A848 S849 D853 L854 F855 V860 L862L842-L851 HydrophobicContact CD2-CD2 4.19Å; I845-L851 HydrophobicContact CB-CD2 3.99Å; I845-L851 HydrophobicContact CB-CG 4.25Å; I845-L851 HydrophobicContact CG1-CD2 3.95Å; I845-L851 HydrophobicContact CG2-CD2 4.15Å; I845-L851 HydrophobicContact CG2-CG 4.32Å; A848-L851 PolarHBondContact O-N 3.4Å; S849-L851 VanDerWaalsContact C-N 3.33Å; S849-L851 PolarHBondContact O-N 2.97Å; L851-D853 PolarHBondContact O-N 3.32Å; L851-L854 PolarHBondContact O-N 3.39Å; L851-F855 HydrophobicContact CD2-CE2 4.22Å; L851-F855 WeakPolarHBondContact O-CB 3.31Å; L851-F855 VanDerWaalsContact O-CD2 3.24Å; L851-F855 WeakPolarHBondContact O-CD2 3.32Å; L851-F855 PolarHBondContact O-N 2.91Å; L851-V860 HydrophobicContact CB-CB 4.27Å; L851-V860 HydrophobicContact CB-CG1 4.24Å; L851-V860 HydrophobicContact CB-CG2 4.12Å; L851-V860 HydrophobicContact CD1-CG1 4.28Å; L851-L862 HydrophobicContact CD1-CD1 3.94Å; L851-L862 HydrophobicContact CD1-CD2 4.33Å; L851-L862 HydrophobicContact CD1-CG 4.41Å
852V90.9Very high89.3Confident22 Ų2233.6 Ų33.613%0.13320%0.204CC..Hα-helixtrans-62.8-44.5177.1-174.70000110.9S849 E850 L856 V857 S858 V860 R890S849-V852 WeakPolarHBondContact O-CB 3.3Å; S849-V852 PolarHBondContact O-N 3.32Å; E850-V852 PolarHBondContact O-N 3.39Å; V852-L856 WeakPolarHBondContact O-CA 3.45Å; V852-L856 PolarHBondContact O-N 2.79Å; V852-V857 HydrophobicContact CG1-CG2 4.31Å; V852-V857 WeakPolarHBondContact CG1-O 3.5Å; V852-V857 PolarHBondContact O-N 2.69Å; V852-V857 VanDerWaalsContact O-N 3.08Å; V852-S858 VanDerWaalsContact CG1-O 3.31Å; V852-S858 WeakPolarHBondContact CG1-O 3.4Å; V852-V860 HydrophobicContact CG2-CB 4.38Å; V852-V860 HydrophobicContact CG2-CG2 4.11Å; V852-R890 VanDerWaalsContact CG1-NH2 3.3Å
853D89Confident89.3Confident11 Ų1138.1 Ų38.16%0.05922%0.224CC..Hα-helixtrans-72.8-36178.8-75.7-16.9000112.3T727 N730 S849 E850 L851 L856 R890T727-D853 HydrophobicContact CG2-CB 4.38Å; N730-D853 PolarHBondContact ND2-OD1 3.17Å; S849-D853 PolarHBondContact O-N 3.38Å; E850-D853 CarbonylContact O-C 3.54Å; E850-D853 PolarHBondContact O-N 2.8Å; E850-D853 VanDerWaalsContact O-N 3.16Å; L851-D853 PolarHBondContact O-N 3.32Å; D853-L856 VanDerWaalsContact O-CD2 3.29Å; D853-L856 WeakPolarHBondContact O-CD2 3.44Å; D853-L856 PolarHBondContact O-N 3.45Å; D853-R890 IonicContact OD1-CZ 3.38Å; D853-R890 IonicContact OD1-NH1 2.85Å; D853-R890 PolarHBondContact OD1-NH1 2.76Å; D853-R890 IonicContact OD1-NH2 3.13Å; D853-R890 PolarHBondContact OD1-NH2 3.42Å; D853-R890 VanDerWaalsContact OD1-NH2 3.13Å
854L91.3Very high89.2Confident0 Ų039.7 Ų39.70%023%0.226CC..Hα-helixtrans-66.4-42.5179.1-176.965.1000111.8V681 F723 T727 F806 A809 L810 R813 E850 L851V681-L854 HydrophobicContact CG2-CD1 4.49Å; F723-L854 HydrophobicContact CE2-CD1 3.85Å; F723-L854 HydrophobicContact CZ-CD1 4.36Å; T727-L854 HydrophobicContact CG2-CD1 4.46Å; F806-L854 HydrophobicContact CZ-CD1 4.46Å; A809-L854 HydrophobicContact CB-CD2 3.92Å; L810-L854 HydrophobicContact CD2-CD1 4.35Å; R813-L854 VanDerWaalsContact CD-O 3.22Å; R813-L854 WeakPolarHBondContact CD-O 3.44Å; R813-L854 PolarHBondContact NE-O 3.08Å; E850-L854 WeakPolarHBondContact O-CB 3.1Å; E850-L854 PolarHBondContact O-N 3.15Å; L851-L854 PolarHBondContact O-N 3.39Å
855F92.1Very high89Confident0 Ų039 Ų390%022%0.222CC..Hα-helixtrans-86.8-8.2177.6-75.6-97.1000113.5A812 R813 F816 L830 I832 L851 V857 F875A812-F855 HydrophobicContact CB-CE1 4.27Å; A812-F855 HydrophobicContact CB-CZ 3.76Å; R813-F855 HydrophobicContact CB-CE1 4.35Å; R813-F855 HydrophobicContact CB-CZ 4.43Å; F816-F855 HydrophobicContact CB-CD1 3.84Å; F816-F855 HydrophobicContact CB-CE1 3.9Å; F816-F855 HydrophobicContact CD1-CB 4.47Å; F816-F855 AromaticContact CD1-CD1 3.8Å; F816-F855 HydrophobicContact CD1-CD1 3.8Å; F816-F855 WeakPolarHBondContact CE1-O 3.5Å; F816-F855 AromaticContact CG-CD1 3.83Å; F816-F855 HydrophobicContact CG-CD1 3.83Å; F816-F855 HydrophobicContact CG-CE1 4.35Å; L830-F855 HydrophobicContact CD2-CB 3.98Å; L830-F855 HydrophobicContact CD2-CD1 3.52Å; L830-F855 HydrophobicContact CD2-CE1 4.16Å; L830-F855 HydrophobicContact CD2-CG 3.84Å; I832-F855 HydrophobicContact CD1-CD1 4.46Å; I832-F855 HydrophobicContact CD1-CE1 3.88Å; I832-F855 HydrophobicContact CD1-CE2 3.97Å; I832-F855 HydrophobicContact CD1-CZ 3.59Å; L851-F855 HydrophobicContact CD2-CE2 4.22Å; L851-F855 WeakPolarHBondContact O-CB 3.31Å; L851-F855 VanDerWaalsContact O-CD2 3.24Å; L851-F855 WeakPolarHBondContact O-CD2 3.32Å; L851-F855 PolarHBondContact O-N 2.91Å; F855-V857 HydrophobicContact CB-CG1 4.22Å; F855-V857 HydrophobicContact CB-CG2 4.01Å; F855-F875 HydrophobicContact CE1-CE1 4.28Å
856L89Confident88.7Confident37 Ų3747 Ų4719%0.19426%0.262CS..THydrogen-bonded Turntrans55.650.6-177.1-56171.8000112.1T726 T825 M826 V852 D853T726-L856 HydrophobicContact CG2-CD1 4.09Å; T726-L856 HydrophobicContact CG2-CD2 4.29Å; T825-L856 CarbonylContact C-O 3.47Å; T825-L856 VanDerWaalsContact CB-O 3.25Å; T825-L856 WeakPolarHBondContact CB-O 3.39Å; T825-L856 PolarHBondContact OG1-O 2.85Å; M826-L856 WeakPolarHBondContact CA-O 3.46Å; M826-L856 WeakPolarHBondContact CG-O 3.5Å; M826-L856 PolarHBondContact N-O 2.79Å; M826-L856 VanDerWaalsContact SD-CA 3.53Å; M826-L856 HydrophobicContact SD-CB 3.95Å; V852-L856 WeakPolarHBondContact O-CA 3.45Å; V852-L856 PolarHBondContact O-N 2.79Å; D853-L856 VanDerWaalsContact O-CD2 3.29Å; D853-L856 WeakPolarHBondContact O-CD2 3.44Å; D853-L856 PolarHBondContact O-N 3.45Å
857V92.4Very high88.6Confident0 Ų051.3 Ų51.30%028%0.276CS..SBendtrans-120.2177.1-179-65.70000111.8F816 L830 V852 F855 V860F816-V857 HydrophobicContact CE1-CG1 3.87Å; F816-V857 HydrophobicContact CZ-CG1 3.67Å; L830-V857 HydrophobicContact CB-CB 4.36Å; L830-V857 HydrophobicContact CB-CG1 4.11Å; L830-V857 HydrophobicContact CB-CG2 4.14Å; L830-V857 HydrophobicContact CD2-CG1 4.21Å; L830-V857 HydrophobicContact CD2-CG2 4.45Å; V852-V857 HydrophobicContact CG1-CG2 4.31Å; V852-V857 WeakPolarHBondContact CG1-O 3.5Å; V852-V857 PolarHBondContact O-N 2.69Å; V852-V857 VanDerWaalsContact O-N 3.08Å; F855-V857 HydrophobicContact CB-CG1 4.22Å; F855-V857 HydrophobicContact CB-CG2 4.01Å; V857-V860 HydrophobicContact CG2-CG2 3.5Å
858S91.3Very high88.3Confident5 Ų549.6 Ų49.64%0.03527%0.266CS..SBendtrans-78.3-46.6174.1165.90000111.6M826 Y828 V852 S880 Y891M826-S858 WeakPolarHBondContact O-CB 3.14Å; Y828-S858 WeakPolarHBondContact O-CA 3.43Å; Y828-S858 VanDerWaalsContact O-CB 3.23Å; Y828-S858 WeakPolarHBondContact O-CB 3.46Å; Y828-S858 PolarHBondContact O-N 3.13Å; V852-S858 VanDerWaalsContact CG1-O 3.31Å; V852-S858 WeakPolarHBondContact CG1-O 3.4Å; S858-S880 WeakPolarHBondContact CB-OG 3.21Å; S858-S880 WeakPolarHBondContact OG-CB 3.22Å; S858-S880 PolarHBondContact OG-OG 3.39Å; S858-Y891 WeakPolarHBondContact CB-O 3.46Å; S858-Y891 PolarHBondContact OG-O 2.78Å
859T92Very high88.1Confident32 Ų3254.1 Ų54.120%0.19628%0.28CS..EExtended strand (participates in β ladder)trans-150154.6-179.743.20000110.4H829 L830 Y882H829-T859 PolarHBondContact ND1-OG1 3.22Å; L830-T859 PolarHBondContact N-O 3.24Å; T859-Y882 HydrophobicContact CG2-CD2 4.03Å; T859-Y882 HydrophobicContact CG2-CE2 3.61Å
860V93.5Very high88.2Confident33 Ų3355.1 Ų55.120%0.228%0.28CS..EExtended strand (participates in β ladder)trans-122.1133.9175.9176.30000109.1L830 I832 L851 V852 V857 L862L830-V860 CarbonylContact O-C 3.14Å; L830-V860 VanDerWaalsContact O-CA 3.28Å; L830-V860 WeakPolarHBondContact O-CA 3.46Å; I832-V860 HydrophobicContact CD1-CG1 4.13Å; I832-V860 HydrophobicContact CG1-CG1 4.44Å; L851-V860 HydrophobicContact CB-CB 4.27Å; L851-V860 HydrophobicContact CB-CG1 4.24Å; L851-V860 HydrophobicContact CB-CG2 4.12Å; L851-V860 HydrophobicContact CD1-CG1 4.28Å; V852-V860 HydrophobicContact CG2-CB 4.38Å; V852-V860 HydrophobicContact CG2-CG2 4.11Å; V857-V860 HydrophobicContact CG2-CG2 3.5Å; V860-L862 HydrophobicContact CG1-CD2 3.86Å; V860-L862 HydrophobicContact CG1-CG 4.41Å
861E94Very high87.9Confident74 Ų7460.1 Ų60.135%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-119.8132.6169.5-175.8-175.5-164.600108.6H829 L830 A831 I832 K863H829-E861 IonicContact NE2-OE2 3.45Å; H829-E861 PolarHBondContact NE2-OE2 3.35Å; L830-E861 PolarHBondContact O-N 2.66Å; A831-E861 CarbonylContact C-O 3.58Å; A831-E861 WeakPolarHBondContact CA-O 3.43Å; A831-E861 HydrophobicContact CB-CB 4.32Å; I832-E861 PolarHBondContact N-O 2.71Å; E861-K863 HydrophobicContact CG-CG 4.39Å; E861-K863 WeakPolarHBondContact OE1-CE 3.49Å; E861-K863 IonicContact OE1-NZ 3.18Å; E861-K863 PolarHBondContact OE1-NZ 2.84Å; E861-K863 WeakPolarHBondContact OE2-CE 3.13Å; E861-K863 IonicContact OE2-NZ 2.72Å; E861-K863 PolarHBondContact OE2-NZ 3.03Å
862L94.1Very high87.6Confident51 Ų5162.1 Ų62.127%0.26732%0.322SS..EExtended strand (participates in β ladder)trans-105.8126.4178.5-58.9-178.3000109.4I832 I839 L842 L851 V860I832-L862 HydrophobicContact CB-CD2 3.99Å; I832-L862 HydrophobicContact CD1-CD2 4.17Å; I832-L862 HydrophobicContact CG1-CD2 4.39Å; I839-L862 HydrophobicContact CD1-CB 4.29Å; I839-L862 HydrophobicContact CG2-CB 4.24Å; L842-L862 HydrophobicContact CB-CD1 3.87Å; L842-L862 HydrophobicContact CB-CD2 4.1Å; L842-L862 HydrophobicContact CD1-CD2 3.9Å; L851-L862 HydrophobicContact CD1-CD1 3.94Å; L851-L862 HydrophobicContact CD1-CD2 4.33Å; L851-L862 HydrophobicContact CD1-CG 4.41Å; V860-L862 HydrophobicContact CG1-CD2 3.86Å; V860-L862 HydrophobicContact CG1-CG 4.41Å
863K92.1Very high87.6Confident95 Ų9562.3 Ų62.341%0.41332%0.322SS..EExtended strand (participates in β ladder)trans-126.4116.3-179.4-71.1-176.7178.3152.30111.8I832 S833 S834 E861 N865I832-K863 PolarHBondContact O-N 2.73Å; S833-K863 WeakPolarHBondContact CA-O 3.48Å; S833-K863 WeakPolarHBondContact CB-O 3.09Å; S833-K863 PolarHBondContact OG-O 2.7Å; S834-K863 PolarHBondContact N-O 3.18Å; E861-K863 HydrophobicContact CG-CG 4.39Å; E861-K863 WeakPolarHBondContact OE1-CE 3.49Å; E861-K863 IonicContact OE1-NZ 3.18Å; E861-K863 PolarHBondContact OE1-NZ 2.84Å; E861-K863 WeakPolarHBondContact OE2-CE 3.13Å; E861-K863 IonicContact OE2-NZ 2.72Å; E861-K863 PolarHBondContact OE2-NZ 3.03Å; K863-N865 PolarHBondContact O-N 2.92Å
864E91.1Very high87.7Confident114 Ų11465.8 Ų65.853%0.53334%0.343SS..EExtended strand (participates in β ladder)trans-68125.7170.4-168.9175.8156.500110.9A836A836-E864 HydrophobicContact CB-CG 4.24Å; A836-E864 VanDerWaalsContact CB-OE1 3.26Å; A836-E864 WeakPolarHBondContact CB-OE1 3.41Å
865N86.8Confident87.8Confident54 Ų5467.2 Ų67.229%0.28935%0.349SS..  trans-101.1102.9172.2-177.23.4000109.4S833 S834 K863 Q867 A868S833-N865 WeakPolarHBondContact OG-CB 3.47Å; S834-N865 PolarHBondContact O-N 2.83Å; K863-N865 PolarHBondContact O-N 2.92Å; N865-Q867 PolarHBondContact O-N 3.38Å; N865-Q867 VanDerWaalsContact O-N 3.11Å; N865-Q867 PolarHBondContact OD1-N 3.41Å; N865-A868 HydrophobicContact CB-CB 4.1Å; N865-A868 PolarHBondContact O-N 2.93Å; N865-A868 VanDerWaalsContact O-N 3.14Å
866M81.9Confident87.8Confident171 Ų17170.7 Ų70.784%0.84237%0.374SS*.THydrogen-bonded Turntrans-66.7-9.6-179.9-62.5-146.5-61.100114.3
867Q80.1Confident88Confident175 Ų17570.7 Ų70.782%0.81838%0.375SS*.THydrogen-bonded Turntrans-97.5-3.5176.7-62.6-179-6.100113.3N865 D869N865-Q867 PolarHBondContact O-N 3.38Å; N865-Q867 VanDerWaalsContact O-N 3.11Å; N865-Q867 PolarHBondContact OD1-N 3.41Å; Q867-D869 PolarHBondContact O-N 3.47Å
868A75Confident88.1Confident16 Ų1672.9 Ų72.913%0.13239%0.391CS..  trans-85103.9178.600000110.3N835 N865 D870N835-A868 HydrophobicContact CB-CB 4.31Å; N835-A868 WeakPolarHBondContact CB-O 3.46Å; N865-A868 HydrophobicContact CB-CB 4.1Å; N865-A868 PolarHBondContact O-N 2.93Å; N865-A868 VanDerWaalsContact O-N 3.14Å; A868-D870 VanDerWaalsContact C-N 3.31Å
869D74.7Confident88.1Confident168 Ų16877.9 Ų77.990%0.89842%0.423SS*.  trans-82.2-9.7174.9-71.6-20.8000112.9Q867Q867-D869 PolarHBondContact O-N 3.47Å
870D82.4Confident88.1Confident89 Ų8977.2 Ų77.248%0.47642%0.42SS..SBendtrans-116.6171.4179.770.5-0.2000112.6N835 A868 S872N835-D870 PolarHBondContact ND2-O 3.23Å; A868-D870 VanDerWaalsContact C-N 3.31Å; D870-S872 PolarHBondContact O-N 3.47Å; D870-S872 VanDerWaalsContact O-N 3.14Å; D870-S872 WeakPolarHBondContact OD1-CB 3.44Å; D870-S872 PolarHBondContact OD1-N 3.17Å; D870-S872 VanDerWaalsContact OD1-N 3.17Å; D870-S872 PolarHBondContact OD1-OG 3.43Å
871D81.1Confident87.9Confident109 Ų10980.2 Ų80.258%0.58345%0.448SS*.  trans-80.426175.5-64.6-27000112.4N835 V838N835-D871 PolarHBondContact ND2-OD1 3.43Å; V838-D871 HydrophobicContact CG2-CB 4.25Å
872S85.5Confident87.8Confident49 Ų4980.7 Ų80.734%0.34345%0.447SS..  trans-72.5135.817971.10000110.8S834 D870S834-S872 PolarHBondContact OG-O 2.87Å; S834-S872 VanDerWaalsContact OG-O 3.05Å; D870-S872 PolarHBondContact O-N 3.47Å; D870-S872 VanDerWaalsContact O-N 3.14Å; D870-S872 WeakPolarHBondContact OD1-CB 3.44Å; D870-S872 PolarHBondContact OD1-N 3.17Å; D870-S872 VanDerWaalsContact OD1-N 3.17Å; D870-S872 PolarHBondContact OD1-OG 3.43Å
873I89.7Confident87.5Confident26 Ų2682 Ų8213%0.13345%0.451CS..  trans-110.6120.4-177.1-55179.9000108A812 I832 V838 F875A812-I873 HydrophobicContact CB-CD1 3.51Å; I832-I873 HydrophobicContact CG2-CG2 3.56Å; V838-I873 HydrophobicContact CG1-CD1 4.07Å; V838-I873 HydrophobicContact CG1-CG1 4.19Å; I873-F875 HydrophobicContact CB-CZ 4.19Å; I873-F875 HydrophobicContact CG2-CD1 4.02Å; I873-F875 HydrophobicContact CG2-CE1 3.41Å; I873-F875 VanDerWaalsContact CG2-CE1 3.41Å; I873-F875 HydrophobicContact CG2-CE2 4.25Å; I873-F875 HydrophobicContact CG2-CZ 3.54Å
874V90.9Very high87.5Confident84 Ų8480.8 Ų80.851%0.50945%0.449SS..EExtended strand (participates in β ladder)trans-99.7122.9175.5-177.20000108.9S833S833-V874 PolarHBondContact N-O 3.32Å; S833-V874 PolarHBondContact O-N 3.31Å
875F93.5Very high87.4Confident29 Ų2975.3 Ų75.313%0.12742%0.424CS..EExtended strand (participates in β ladder)trans-101.8118.8176.1-56.3-64.2000110.3A812 K815 F816 Y820 L830 I832 F855 I873A812-F875 VanDerWaalsContact O-CZ 3.32Å; A812-F875 WeakPolarHBondContact O-CZ 3.23Å; K815-F875 HydrophobicContact CB-CE2 3.75Å; K815-F875 HydrophobicContact CB-CZ 3.98Å; F816-F875 HydrophobicContact CB-CD1 4.43Å; F816-F875 HydrophobicContact CB-CE1 4.01Å; F816-F875 HydrophobicContact CB-CE2 4.15Å; F816-F875 HydrophobicContact CB-CZ 3.87Å; F816-F875 HydrophobicContact CD2-CD1 4.22Å; F816-F875 HydrophobicContact CD2-CG 4.21Å; Y820-F875 HydrophobicContact CE2-CB 4.02Å; L830-F875 HydrophobicContact CD1-CB 4.14Å; L830-F875 HydrophobicContact CD1-CD1 4.03Å; L830-F875 HydrophobicContact CD1-CG 4.49Å; I832-F875 HydrophobicContact CG1-CD1 4.29Å; I832-F875 HydrophobicContact CG1-CE1 4.45Å; I832-F875 HydrophobicContact CG2-CE1 4.35Å; F855-F875 HydrophobicContact CE1-CE1 4.28Å; I873-F875 HydrophobicContact CB-CZ 4.19Å; I873-F875 HydrophobicContact CG2-CD1 4.02Å; I873-F875 HydrophobicContact CG2-CE1 3.41Å; I873-F875 VanDerWaalsContact CG2-CE1 3.41Å; I873-F875 HydrophobicContact CG2-CE2 4.25Å; I873-F875 HydrophobicContact CG2-CZ 3.54Å
876S92.5Very high87.5Confident73 Ų7375.7 Ų75.751%0.5143%0.429SS..EExtended strand (participates in β ladder)trans-105.6119.7167.8174.60000109.3A831A831-S876 PolarHBondContact N-O 3.4Å; A831-S876 PolarHBondContact O-N 3.19Å
877V93.3Very high87.7Confident37 Ų3772 Ų7222%0.22441%0.406CS..EExtended strand (participates in β ladder)trans-116122.4-173.6-176.20000109.1F816 Y820 Y828 L830F816-V877 HydrophobicContact CE2-CG2 3.97Å; Y820-V877 HydrophobicContact CD1-CB 4.45Å; Y820-V877 HydrophobicContact CD1-CG1 4.46Å; Y820-V877 HydrophobicContact CD1-CG2 4.02Å; Y820-V877 HydrophobicContact CD2-CG2 4.03Å; Y820-V877 HydrophobicContact CE1-CB 3.95Å; Y820-V877 HydrophobicContact CE1-CG1 4.4Å; Y820-V877 HydrophobicContact CE1-CG2 3.62Å; Y820-V877 HydrophobicContact CE2-CG2 3.65Å; Y820-V877 HydrophobicContact CG-CG2 4.21Å; Y820-V877 VanDerWaalsContact CZ-CG2 3.42Å; Y828-V877 VanDerWaalsContact CB-CG1 3.49Å; Y828-V877 HydrophobicContact CD1-CG1 3.89Å; Y828-V877 HydrophobicContact CD2-CG1 3.42Å; Y828-V877 VanDerWaalsContact CD2-CG1 3.42Å; Y828-V877 HydrophobicContact CE2-CG1 4.09Å; Y828-V877 HydrophobicContact CG-CG1 3.32Å; L830-V877 HydrophobicContact CD1-CG2 4.01Å
878S94.5Very high88Confident47 Ų4764.7 Ų64.733%0.32937%0.374SS..EExtended strand (participates in β ladder)trans-129.1158.3176.162.50000111.1Y828 H829Y828-S878 CarbonylContact C-O 3.5Å; Y828-S878 VanDerWaalsContact CA-O 3.24Å; Y828-S878 WeakPolarHBondContact CA-O 3.42Å; H829-S878 PolarHBondContact N-O 3.11Å; H829-S878 PolarHBondContact O-N 3.26Å
879P92.2Very high88.6Confident109 Ų10970 Ų7071%0.70839%0.394SS*.EExtended strand (participates in β ladder)trans-55.3143.1171.3-23.834.4000111.4
880S91.3Very high89Confident19 Ų1963.5 Ų63.513%0.13336%0.357CS..  trans-64.3140.9175.3-175.80000111.2Q827 S858 Y882Q827-S880 VanDerWaalsContact O-CB 3.27Å; Q827-S880 WeakPolarHBondContact O-CB 3.27Å; Q827-S880 PolarHBondContact O-N 3.11Å; S858-S880 WeakPolarHBondContact CB-OG 3.21Å; S858-S880 WeakPolarHBondContact OG-CB 3.22Å; S858-S880 PolarHBondContact OG-OG 3.39Å; S880-Y882 PolarHBondContact O-N 3.18Å; S880-Y882 PolarHBondContact OG-N 3.08Å
881A90Very high89.3Confident95 Ų9562.2 Ų62.279%0.78535%0.346SS*.SBendtrans-74.9-11.3168.700000112.9
882Y90.1Very high89.5Confident85 Ų8558.9 Ų58.933%0.33333%0.329SS..SBendtrans-91.7150.1178-64.6-78000111.3T859 S880 Y891 Q894T859-Y882 HydrophobicContact CG2-CD2 4.03Å; T859-Y882 HydrophobicContact CG2-CE2 3.61Å; S880-Y882 PolarHBondContact O-N 3.18Å; S880-Y882 PolarHBondContact OG-N 3.08Å; Y882-Y891 VanDerWaalsContact CB-C 3.5Å; Y882-Y891 WeakPolarHBondContact CB-O 3.1Å; Y882-Y891 WeakPolarHBondContact O-CD1 3.31Å; Y882-Q894 HydrophobicContact CD1-CG 4.13Å; Y882-Q894 HydrophobicContact CE1-CG 3.88Å
883Q89.7Confident89.7Confident77 Ų7759.5 Ų59.536%0.3632%0.324SS..EExtended strand (participates in β ladder)trans-85.4161.1173.3-57.6-59.6-22.300112.4C885 Y891 T892 R893 D895Q883-C885 PolarHBondContact O-N 2.72Å; Q883-Y891 CarbonylContact O-C 3.53Å; Q883-Y891 VanDerWaalsContact O-CA 3.31Å; Q883-Y891 WeakPolarHBondContact O-CA 3.47Å; Q883-T892 PolarHBondContact O-N 3.39Å; Q883-T892 VanDerWaalsContact O-N 3.12Å; Q883-R893 HydrophobicContact CB-CB 4.44Å; Q883-R893 PolarHBondContact N-O 3.05Å; Q883-R893 WeakPolarHBondContact O-CB 3.14Å; Q883-R893 PolarHBondContact O-N 3.12Å; Q883-D895 VanDerWaalsContact CD-OD1 3.28Å; Q883-D895 WeakPolarHBondContact CG-OD1 3.32Å; Q883-D895 PolarHBondContact NE2-OD1 3.37Å
884L90.8Very high89.6Confident70 Ų7063.5 Ų63.537%0.36634%0.342SS..EExtended strand (participates in β ladder)trans-64118172.3-169.873.1000111.1K889 R890 Y891L884-K889 VanDerWaalsContact CD1-O 3.28Å; L884-K889 WeakPolarHBondContact CD1-O 3.39Å; L884-R890 CarbonylContact C-O 3.55Å; L884-R890 WeakPolarHBondContact CA-O 3.5Å; L884-Y891 HydrophobicContact CB-CD1 4.5Å; L884-Y891 HydrophobicContact CB-CE1 4.33Å; L884-Y891 HydrophobicContact CD1-CD2 4.01Å; L884-Y891 HydrophobicContact CD1-CE2 3.86Å
885C89.9Confident89.2Confident0 Ų065.6 Ų65.60%035%0.35CS..PPolyproline II helixtrans-72127.2170.7176.50000110.2Q883 R887 C888 K889 R890 R893 C900Q883-C885 PolarHBondContact O-N 2.72Å; C885-R887 VanDerWaalsContact C-N 3.27Å; C885-R887 PolarHBondContact O-N 3.32Å; C885-C888 WeakPolarHBondContact CB-SG 3.43Å; C885-C888 VanDerWaalsContact SG-SG 3.61Å; C885-K889 WeakPolarHBondContact O-CA 3.41Å; C885-K889 PolarHBondContact O-N 2.8Å; C885-R890 PolarHBondContact N-O 3.3Å; C885-R893 HydrophobicContact CB-CB 4.13Å; C885-C900 HydrophobicContact CB-CB 4.14Å; C885-C900 VanDerWaalsContact SG-SG 3.63Å
886P88.8Confident88.7Confident62 Ų6268.8 Ų68.840%0.40338%0.377SS..THydrogen-bonded Turntrans-68.6-23.7-175.226-33.6000113.5K889 D898 L899P886-K889 VanDerWaalsContact O-CE 3.27Å; P886-K889 WeakPolarHBondContact O-CE 3.23Å; P886-K889 PolarHBondContact O-NZ 2.82Å; P886-D898 WeakPolarHBondContact CD-O 3.4Å; P886-L899 HydrophobicContact CG-CD2 3.72Å
887R86.4Confident88.3Confident93 Ų9370 Ų7035%0.35137%0.374SS..THydrogen-bonded Turntrans-81-62.1178.1179.4174.4175.2-91.30.2112.7Y733 C734 C885 L899 C903Y733-R887 PolarHBondContact O-NH2 3.07Å; C734-R887 PolarHBondContact O-NH1 2.89Å; C885-R887 VanDerWaalsContact C-N 3.27Å; C885-R887 PolarHBondContact O-N 3.32Å; R887-L899 HydrophobicContact CB-CD2 3.84Å; R887-C903 HydrophobicContact CB-CB 4.25Å; R887-C903 HydrophobicContact CG-CB 4.39Å; R887-C903 PolarHBondContact NH1-SG 2.85Å
888C86.6Confident88Confident21 Ų2174.8 Ų74.814%0.14240%0.399CS..THydrogen-bonded Turntrans-85.2-9.5-17665.70000114.3C734 C885 R890C734-C888 HydrophobicContact CB-CB 4.2Å; C734-C888 WeakPolarHBondContact SG-CB 3.46Å; C885-C888 WeakPolarHBondContact CB-SG 3.43Å; C885-C888 VanDerWaalsContact SG-SG 3.61Å; C888-R890 HydrophobicContact CB-CG 4.32Å; C888-R890 PolarHBondContact O-N 3.33Å
889K86.5Confident87.8Confident129 Ų12974.5 Ų74.556%0.56139%0.393SS*.  trans57.233.5-175.5-52.3-57.1-170.7-165.90113.5L884 C885 P886L884-K889 VanDerWaalsContact CD1-O 3.28Å; L884-K889 WeakPolarHBondContact CD1-O 3.39Å; C885-K889 WeakPolarHBondContact O-CA 3.41Å; C885-K889 PolarHBondContact O-N 2.8Å; P886-K889 VanDerWaalsContact O-CE 3.27Å; P886-K889 WeakPolarHBondContact O-CE 3.23Å; P886-K889 PolarHBondContact O-NZ 2.82Å
890R82.7Confident87.5Confident31 Ų3169.6 Ų69.612%0.11736%0.361CS..SBendtrans-111.1149.9174.3-59.4-178.160.7166.112.1111.5N730 M826 V852 D853 L884 C885 C888 T892N730-R890 PolarHBondContact ND2-NH1 3.35Å; M826-R890 HydrophobicContact CE-CB 4.37Å; M826-R890 HydrophobicContact CE-CG 3.57Å; V852-R890 VanDerWaalsContact CG1-NH2 3.3Å; D853-R890 IonicContact OD1-CZ 3.38Å; D853-R890 IonicContact OD1-NH1 2.85Å; D853-R890 PolarHBondContact OD1-NH1 2.76Å; D853-R890 IonicContact OD1-NH2 3.13Å; D853-R890 PolarHBondContact OD1-NH2 3.42Å; D853-R890 VanDerWaalsContact OD1-NH2 3.13Å; L884-R890 CarbonylContact C-O 3.55Å; L884-R890 WeakPolarHBondContact CA-O 3.5Å; C885-R890 PolarHBondContact N-O 3.3Å; C888-R890 HydrophobicContact CB-CG 4.32Å; C888-R890 PolarHBondContact O-N 3.33Å; R890-T892 VanDerWaalsContact C-N 3.29Å; R890-T892 HydrophobicContact CB-CG2 3.98Å; R890-T892 PolarHBondContact O-N 3.26Å
891Y89.3Confident87.2Confident61 Ų6174.3 Ų74.324%0.23939%0.385CS..EExtended strand (participates in β ladder)trans-78.378.6170.8-68.2-99.4000109.5M826 Q827 S858 Y882 Q883 L884M826-Y891 WeakPolarHBondContact O-CD2 3.3Å; Q827-Y891 VanDerWaalsContact CA-CD2 3.43Å; Q827-Y891 HydrophobicContact CB-CD2 3.66Å; Q827-Y891 HydrophobicContact CB-CE1 4.38Å; Q827-Y891 HydrophobicContact CB-CE2 3.36Å; Q827-Y891 HydrophobicContact CB-CG 4.27Å; S858-Y891 WeakPolarHBondContact CB-O 3.46Å; S858-Y891 PolarHBondContact OG-O 2.78Å; Y882-Y891 VanDerWaalsContact CB-C 3.5Å; Y882-Y891 WeakPolarHBondContact CB-O 3.1Å; Y882-Y891 WeakPolarHBondContact O-CD1 3.31Å; Q883-Y891 CarbonylContact O-C 3.53Å; Q883-Y891 VanDerWaalsContact O-CA 3.31Å; Q883-Y891 WeakPolarHBondContact O-CA 3.47Å; L884-Y891 HydrophobicContact CB-CD1 4.5Å; L884-Y891 HydrophobicContact CB-CE1 4.33Å; L884-Y891 HydrophobicContact CD1-CD2 4.01Å; L884-Y891 HydrophobicContact CD1-CE2 3.86Å
892T86.2Confident86.7Confident39 Ų3972.5 Ų72.524%0.23936%0.364CS..EExtended strand (participates in β ladder)trans-141.20.7-177.1540000112.9Q883 R890 C900Q883-T892 PolarHBondContact O-N 3.39Å; Q883-T892 VanDerWaalsContact O-N 3.12Å; R890-T892 VanDerWaalsContact C-N 3.29Å; R890-T892 HydrophobicContact CB-CG2 3.98Å; R890-T892 PolarHBondContact O-N 3.26Å; T892-C900 WeakPolarHBondContact O-CB 3.36Å; T892-C900 VanDerWaalsContact OG1-CB 3.27Å; T892-C900 WeakPolarHBondContact OG1-CB 3.41Å; T892-C900 PolarHBondContact OG1-SG 2.74Å; T892-C900 VanDerWaalsContact OG1-SG 3.42Å
893R88.9Confident86.6Confident63 Ų6368.4 Ų68.424%0.23835%0.349CS..EExtended strand (participates in β ladder)trans-89.6132.9-178.6-171.1-17272.4166.60.9109.4Q883 C885 E897 D898 C900Q883-R893 HydrophobicContact CB-CB 4.44Å; Q883-R893 PolarHBondContact N-O 3.05Å; Q883-R893 WeakPolarHBondContact O-CB 3.14Å; Q883-R893 PolarHBondContact O-N 3.12Å; C885-R893 HydrophobicContact CB-CB 4.13Å; R893-E897 WeakPolarHBondContact CD-O 3.32Å; R893-E897 HydrophobicContact CG-CB 4.49Å; R893-E897 WeakPolarHBondContact CG-O 3.12Å; R893-D898 WeakPolarHBondContact CD-O 3.18Å; R893-D898 PolarHBondContact NH1-O 3.4Å; R893-C900 HydrophobicContact CB-CB 4.4Å
894Q86.6Confident86.5Confident110 Ų11066 Ų6651%0.51434%0.339SS..  trans-75.5151.5169.1-67.1179.8-8.800109.9Y882 S896 E897Y882-Q894 HydrophobicContact CD1-CG 4.13Å; Y882-Q894 HydrophobicContact CE1-CG 3.88Å; Q894-S896 PolarHBondContact O-N 3.23Å; Q894-S896 VanDerWaalsContact O-N 3.12Å; Q894-E897 PolarHBondContact O-N 2.88Å; Q894-E897 VanDerWaalsContact O-N 3.16Å
895D83Confident86.2Confident127 Ų12766.9 Ų66.968%0.67934%0.341SS*.THydrogen-bonded Turntrans-57.1-28.6-178.7-83.9-9.5000113.6Q883 E897Q883-D895 VanDerWaalsContact CD-OD1 3.28Å; Q883-D895 WeakPolarHBondContact CG-OD1 3.32Å; Q883-D895 PolarHBondContact NE2-OD1 3.37Å; D895-E897 VanDerWaalsContact C-N 3.34Å
896S83.6Confident85.9Confident97 Ų9767.3 Ų67.368%0.67835%0.345SS*.THydrogen-bonded Turntrans-80.4-7.5-17855.20000115.1Q894Q894-S896 PolarHBondContact O-N 3.23Å; Q894-S896 VanDerWaalsContact O-N 3.12Å
897E85Confident85.7Confident99 Ų9966.5 Ų66.546%0.46334%0.34SS..  trans-119.3147.2-171.1-65.6-69.7161.300111.6R893 Q894 D895R893-E897 WeakPolarHBondContact CD-O 3.32Å; R893-E897 HydrophobicContact CG-CB 4.49Å; R893-E897 WeakPolarHBondContact CG-O 3.12Å; Q894-E897 PolarHBondContact O-N 2.88Å; Q894-E897 VanDerWaalsContact O-N 3.16Å; D895-E897 VanDerWaalsContact C-N 3.34Å
898D86.9Confident85.4Confident137 Ų13770.1 Ų70.173%0.73335%0.354SS*.SBendtrans-74.5-34.9176.5-74.4-34.1000112.5P886 R893P886-D898 WeakPolarHBondContact CD-O 3.4Å; R893-D898 WeakPolarHBondContact CD-O 3.18Å; R893-D898 PolarHBondContact NH1-O 3.4Å
899L88.6Confident84.4Confident40 Ų4071.4 Ų71.421%0.20937%0.37CS..SBendtrans-131.7152.8-177.9-65.5179000110.3P886 R887 C903 T904P886-L899 HydrophobicContact CG-CD2 3.72Å; R887-L899 HydrophobicContact CB-CD2 3.84Å; L899-C903 HydrophobicContact CB-CB 4.05Å; L899-C903 HydrophobicContact CD1-CB 4.44Å; L899-T904 WeakPolarHBondContact CB-OG1 3.36Å; L899-T904 PolarHBondContact O-OG1 3.31Å
900C87.1Confident83.3Confident7 Ų770 Ų705%0.04737%0.368CS..  trans-68.8153.3169.770.80000110.8C885 T892 R893 C903 T904C885-C900 HydrophobicContact CB-CB 4.14Å; C885-C900 VanDerWaalsContact SG-SG 3.63Å; T892-C900 WeakPolarHBondContact O-CB 3.36Å; T892-C900 VanDerWaalsContact OG1-CB 3.27Å; T892-C900 WeakPolarHBondContact OG1-CB 3.41Å; T892-C900 PolarHBondContact OG1-SG 2.74Å; T892-C900 VanDerWaalsContact OG1-SG 3.42Å; R893-C900 HydrophobicContact CB-CB 4.4Å; C900-C903 WeakPolarHBondContact O-CA 3.23Å; C900-C903 VanDerWaalsContact O-CB 3.31Å; C900-C903 WeakPolarHBondContact O-CB 3.38Å; C900-C903 PolarHBondContact O-N 2.83Å; C900-C903 PolarHBondContact SG-SG 3.16Å; C900-T904 PolarHBondContact O-N 3.46Å; C900-T904 PolarHBondContact O-OG1 2.9Å
901L84.2Confident82.1Confident118 Ų11873.1 Ų73.162%0.61839%0.39SS*.Hα-helixtrans-47.8-49.9-173.5178.470.5000114.4C903 T904 E905L901-C903 VanDerWaalsContact C-N 3.26Å; L901-C903 PolarHBondContact O-N 2.84Å; L901-T904 WeakPolarHBondContact O-CB 3.33Å; L901-T904 PolarHBondContact O-N 2.78Å; L901-T904 VanDerWaalsContact O-N 3.12Å; L901-E905 HydrophobicContact CD1-CG 4.38Å; L901-E905 WeakPolarHBondContact O-CG 3.19Å; L901-E905 PolarHBondContact O-N 2.96Å
902P80.7Confident80.2Confident56 Ų5674.3 Ų74.336%0.36441%0.413SS..Hα-helixtrans-61.4-33.5178.1-23.533.6000113.5A906P902-A906 VanDerWaalsContact O-CB 3.29Å; P902-A906 WeakPolarHBondContact O-CB 3.17Å; P902-A906 PolarHBondContact O-N 2.81Å
903C86.8Confident78.2Confident0 Ų078.2 Ų78.20%044%0.437CS..Hα-helixtrans-72.4-39.9176.4-74.70000111.9R887 L899 C900 L901 A906 C907R887-C903 HydrophobicContact CB-CB 4.25Å; R887-C903 HydrophobicContact CG-CB 4.39Å; R887-C903 PolarHBondContact NH1-SG 2.85Å; L899-C903 HydrophobicContact CB-CB 4.05Å; L899-C903 HydrophobicContact CD1-CB 4.44Å; C900-C903 WeakPolarHBondContact O-CA 3.23Å; C900-C903 VanDerWaalsContact O-CB 3.31Å; C900-C903 WeakPolarHBondContact O-CB 3.38Å; C900-C903 PolarHBondContact O-N 2.83Å; C900-C903 PolarHBondContact SG-SG 3.16Å; L901-C903 VanDerWaalsContact C-N 3.26Å; L901-C903 PolarHBondContact O-N 2.84Å; C903-A906 PolarHBondContact O-N 3.32Å; C903-C907 WeakPolarHBondContact O-CB 3.35Å; C903-C907 PolarHBondContact O-N 2.95Å; C903-C907 PolarHBondContact O-SG 3.45Å; C903-C907 VanDerWaalsContact O-SG 3.34Å
904T87.9Confident75.9Confident25 Ų2583 Ų8315%0.15347%0.473CS..Hα-helixtrans-60.3-47.2174.9-56.60000110.7L899 C900 L901 C907 R908L899-T904 WeakPolarHBondContact CB-OG1 3.36Å; L899-T904 PolarHBondContact O-OG1 3.31Å; C900-T904 PolarHBondContact O-N 3.46Å; C900-T904 PolarHBondContact O-OG1 2.9Å; L901-T904 WeakPolarHBondContact O-CB 3.33Å; L901-T904 PolarHBondContact O-N 2.78Å; L901-T904 VanDerWaalsContact O-N 3.12Å; T904-C907 PolarHBondContact O-N 3.17Å; T904-R908 WeakPolarHBondContact O-CG 3.36Å; T904-R908 PolarHBondContact O-N 3.34Å
905E85.2Confident75.4Confident89 Ų8981.6 Ų81.642%0.41647%0.471SS..Hα-helixtrans-63.2-44.9177.3-70.7174.9177.800112.4P736 L901 C907 R908 G909P736-E905 HydrophobicContact CG-CB 3.89Å; L901-E905 HydrophobicContact CD1-CG 4.38Å; L901-E905 WeakPolarHBondContact O-CG 3.19Å; L901-E905 PolarHBondContact O-N 2.96Å; E905-C907 VanDerWaalsContact C-N 3.28Å; E905-C907 PolarHBondContact O-N 2.99Å; E905-R908 PolarHBondContact O-N 3.33Å; E905-G909 PolarHBondContact O-N 2.73Å
906A83.7Confident75Confident10 Ų1079.2 Ų79.28%0.08346%0.46CS..Hα-helixtrans-61.6-36.6177.200000112.3C734 P736 P902 C903C734-A906 WeakPolarHBondContact O-CB 3.35Å; P736-A906 HydrophobicContact CG-CB 4.43Å; P902-A906 VanDerWaalsContact O-CB 3.29Å; P902-A906 WeakPolarHBondContact O-CB 3.17Å; P902-A906 PolarHBondContact O-N 2.81Å; C903-A906 PolarHBondContact O-N 3.32Å
907C84.1Confident74.5Confident44 Ų4478.2 Ų78.230%0.29745%0.448SS..Hα-helixtrans-72.5-39.9175.7-74.70000112.8C903 T904 E905 G909 I910 T911C903-C907 WeakPolarHBondContact O-CB 3.35Å; C903-C907 PolarHBondContact O-N 2.95Å; C903-C907 PolarHBondContact O-SG 3.45Å; C903-C907 VanDerWaalsContact O-SG 3.34Å; T904-C907 PolarHBondContact O-N 3.17Å; E905-C907 VanDerWaalsContact C-N 3.28Å; E905-C907 PolarHBondContact O-N 2.99Å; C907-G909 VanDerWaalsContact C-N 3.26Å; C907-G909 PolarHBondContact O-N 3.14Å; C907-I910 WeakPolarHBondContact O-CB 3.46Å; C907-I910 PolarHBondContact O-N 3.28Å; C907-T911 PolarHBondContact O-N 3.47Å
908R80.7Confident73.9Confident170 Ų17077 Ų7764%0.64245%0.447SS*.Hα-helixtrans-58.9-37.3176.9-77177.1-178.51742.7112.5T904 E905 I910 T911 A912T904-R908 WeakPolarHBondContact O-CG 3.36Å; T904-R908 PolarHBondContact O-N 3.34Å; E905-R908 PolarHBondContact O-N 3.33Å; R908-I910 PolarHBondContact O-N 3.42Å; R908-T911 WeakPolarHBondContact CA-OG1 3.49Å; R908-T911 PolarHBondContact O-N 3.33Å; R908-T911 PolarHBondContact O-OG1 3.21Å; R908-A912 PolarHBondContact O-N 2.83Å
909G65Low73.1Confident47 Ų4773.3 Ų73.349%0.48543%0.429SS..Hα-helixtrans-64.3-25.1176.300000114.4E905 C907 T913E905-G909 PolarHBondContact O-N 2.73Å; C907-G909 VanDerWaalsContact C-N 3.26Å; C907-G909 PolarHBondContact O-N 3.14Å; G909-T913 PolarHBondContact O-OG1 3.12Å; G909-T913 VanDerWaalsContact O-OG1 3.07Å
910I63.1Low72Confident100 Ų10075.5 Ų75.551%0.51344%0.444SS..Hα-helixtrans-78.8-43177-60.2170.1000110.2C907 R908 A912 T913 T914C907-I910 WeakPolarHBondContact O-CB 3.46Å; C907-I910 PolarHBondContact O-N 3.28Å; R908-I910 PolarHBondContact O-N 3.42Å; I910-A912 VanDerWaalsContact C-N 3.27Å; I910-A912 PolarHBondContact O-N 2.97Å; I910-T913 PolarHBondContact O-N 3.26Å; I910-T913 PolarHBondContact O-OG1 3.22Å; I910-T914 PolarHBondContact O-N 2.95Å
911T56.9Low71Confident96 Ų9680.4 Ų80.459%0.58947%0.472SS*.Hα-helixtrans-69.9-20.2-179.944.60000114.3C907 R908 T913C907-T911 PolarHBondContact O-N 3.47Å; R908-T911 WeakPolarHBondContact CA-OG1 3.49Å; R908-T911 PolarHBondContact O-N 3.33Å; R908-T911 PolarHBondContact O-OG1 3.21Å; T911-T913 VanDerWaalsContact C-N 3.32Å
912A50.8Low70Confident86 Ų8677.5 Ų77.571%0.71146%0.461SS*.THydrogen-bonded Turntrans-80.9-11.7174.400000113.3R908 I910R908-A912 PolarHBondContact O-N 2.83Å; I910-A912 VanDerWaalsContact C-N 3.27Å; I910-A912 PolarHBondContact O-N 2.97Å
913T44.3Very low69.1Low122 Ų12279.3 Ų79.375%0.74847%0.469SS*.THydrogen-bonded Turntrans-107.8-8.2-178.536.10000114.2G909 I910 T911G909-T913 PolarHBondContact O-OG1 3.12Å; G909-T913 VanDerWaalsContact O-OG1 3.07Å; I910-T913 PolarHBondContact O-N 3.26Å; I910-T913 PolarHBondContact O-OG1 3.22Å; T911-T913 VanDerWaalsContact C-N 3.32Å
914T40.1Very low67.4Low162 Ų16286.5 Ų86.599%0.99451%0.512SS*.  trans-98.20166.9540000110I910I910-T914 PolarHBondContact O-N 2.95Å

Retrieved 914 of 914 residues in 751.4 ms (Link to these results)

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