A0A3Q0KRA8_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB (A0A5K4EUF5), UniProt , Accession A0A3Q0KRA8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,102 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
1M47.6Very low77.6Confident186 Ų18667.5 Ų67.592%0.91631%0.311SS*.  0-102.60-59.6-154-66.200111.6H3 E4 E5M1-H3 PolarHBondContact O-N 3.32Å; M1-H3 VanDerWaalsContact O-N 3.15Å; M1-E4 PolarHBondContact N-OE2 2.88Å; M1-E4 CarbonylContact O-C 3.47Å; M1-E4 VanDerWaalsContact O-CA 3.3Å; M1-E4 WeakPolarHBondContact O-CA 3.47Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 3.41Å; M1-E5 PolarHBondContact O-N 3.4Å
2E64Low78.4Confident104 Ų10466.6 Ų66.649%0.48633%0.325SS..Hα-helixtrans-50.5-48.3-165.3-62.8-167.3156.400116.6E4 E5 Y6 R1035E2-E4 VanDerWaalsContact C-N 3.27Å; E2-E4 PolarHBondContact O-N 3.48Å; E2-E5 PolarHBondContact O-N 2.91Å; E2-Y6 PolarHBondContact O-N 3.04Å; E2-Y6 VanDerWaalsContact O-N 3.08Å; E2-R1035 WeakPolarHBondContact OE1-CD 3.38Å; E2-R1035 IonicContact OE1-CZ 3.27Å; E2-R1035 IonicContact OE1-NE 2.97Å; E2-R1035 IonicContact OE1-NH1 2.83Å; E2-R1035 PolarHBondContact OE1-NH1 3.01Å; E2-R1035 IonicContact OE2-CZ 2.78Å; E2-R1035 IonicContact OE2-NH1 2.68Å; E2-R1035 PolarHBondContact OE2-NH1 2.82Å
3H72.8Confident79.1Confident77 Ų7768.8 Ų68.836%0.35633%0.334SS..Hα-helixtrans-67.3-29.1176.3-59.3-77000113.1M1 A7 L123 C126M1-H3 PolarHBondContact O-N 3.32Å; M1-H3 VanDerWaalsContact O-N 3.15Å; H3-A7 VanDerWaalsContact O-CB 3.31Å; H3-A7 WeakPolarHBondContact O-CB 3.48Å; H3-A7 PolarHBondContact O-N 3.36Å; H3-L123 HydrophobicContact CB-CD2 4.19Å; H3-L123 WeakPolarHBondContact O-CD2 3.39Å; H3-C126 PolarHBondContact CE1-SG 3.36Å; H3-C126 PolarHBondContact NE2-SG 3.38Å; H3-C126 VanDerWaalsContact NE2-SG 3.4Å
4E78.6Confident80Confident66 Ų6666 Ų6631%0.30832%0.318SS..Hα-helixtrans-77.3-32.9-178.7-146.3-162.7131.700111.7M1 E2 R8 Y22M1-E4 PolarHBondContact N-OE2 2.88Å; M1-E4 CarbonylContact O-C 3.47Å; M1-E4 VanDerWaalsContact O-CA 3.3Å; M1-E4 WeakPolarHBondContact O-CA 3.47Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 3.41Å; E2-E4 VanDerWaalsContact C-N 3.27Å; E2-E4 PolarHBondContact O-N 3.48Å; E4-R8 VanDerWaalsContact CD-NH1 3.34Å; E4-R8 WeakPolarHBondContact O-CG 3.35Å; E4-R8 PolarHBondContact O-N 2.78Å; E4-R8 PolarHBondContact O-NH1 3.23Å; E4-R8 IonicContact OE1-CZ 2.65Å; E4-R8 VanDerWaalsContact OE1-CZ 3.27Å; E4-R8 IonicContact OE1-NH1 3.23Å; E4-R8 PolarHBondContact OE1-NH1 3.15Å; E4-R8 IonicContact OE1-NH2 3.66Å; E4-R8 PolarHBondContact OE1-NH2 3.41Å; E4-Y22 HydrophobicContact CB-CD2 4.14Å; E4-Y22 HydrophobicContact CB-CE2 4.45Å; E4-Y22 HydrophobicContact CG-CD2 3.62Å; E4-Y22 HydrophobicContact CG-CE2 4.39Å; E4-Y22 HydrophobicContact CG-CG 4.12Å
5E79.4Confident80.6Confident114 Ų11474.7 Ų74.753%0.53335%0.354SS..Hα-helixtrans-69.9-49.8170.8-176.3170.8-127.200110.4M1 E2 A7 R8 E9M1-E5 PolarHBondContact O-N 3.4Å; E2-E5 PolarHBondContact O-N 2.91Å; E5-A7 VanDerWaalsContact C-N 3.28Å; E5-A7 PolarHBondContact O-N 3.35Å; E5-R8 WeakPolarHBondContact O-CA 3.42Å; E5-R8 WeakPolarHBondContact O-CB 3.46Å; E5-R8 PolarHBondContact O-N 3.31Å; E5-E9 PolarHBondContact O-N 3.22Å
6Y81.3Confident81.2Confident15 Ų1571.2 Ų71.26%0.05934%0.338CS..Hα-helixtrans-58-38.4173.3-179-113.4000112.6E2 R8 E9 L10 S119 L122 L123E2-Y6 PolarHBondContact O-N 3.04Å; E2-Y6 VanDerWaalsContact O-N 3.08Å; Y6-R8 VanDerWaalsContact C-N 3.33Å; Y6-R8 PolarHBondContact O-N 2.92Å; Y6-E9 PolarHBondContact O-N 3.18Å; Y6-L10 VanDerWaalsContact O-CB 3.28Å; Y6-L10 WeakPolarHBondContact O-CB 3.47Å; Y6-L10 PolarHBondContact O-N 2.96Å; Y6-S119 PolarHBondContact OH-OG 3.13Å; Y6-L122 HydrophobicContact CE1-CD1 4.31Å; Y6-L123 HydrophobicContact CD1-CD1 4.42Å; Y6-L123 HydrophobicContact CD1-CD2 3.88Å; Y6-L123 HydrophobicContact CD1-CG 4.18Å; Y6-L123 HydrophobicContact CE1-CG 4.46Å
7A85.4Confident81.6Confident0 Ų070.7 Ų70.70%034%0.344CS..Hα-helixtrans-63.4-36172.900000112.8H3 E5 A11 Y22 I25 I26 L123H3-A7 VanDerWaalsContact O-CB 3.31Å; H3-A7 WeakPolarHBondContact O-CB 3.48Å; H3-A7 PolarHBondContact O-N 3.36Å; E5-A7 VanDerWaalsContact C-N 3.28Å; E5-A7 PolarHBondContact O-N 3.35Å; A7-A11 VanDerWaalsContact O-CB 3.28Å; A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 3.49Å; A7-Y22 HydrophobicContact CB-CD2 3.87Å; A7-Y22 HydrophobicContact CB-CE2 3.6Å; A7-I25 HydrophobicContact CB-CG2 3.97Å; A7-I25 WeakPolarHBondContact O-CG2 3.28Å; A7-I26 HydrophobicContact CB-CD1 4.34Å; A7-L123 HydrophobicContact CB-CD1 4.01Å; A7-L123 HydrophobicContact CB-CD2 3.87Å
8R86Confident81.7Confident87 Ų8769.6 Ų69.633%0.32834%0.343SS..Hα-helixtrans-71.6-39.2175.9-74.4178.2-178.6101.11.1112.6E4 E5 Y6 L10 A11 A12 P18 I25E4-R8 VanDerWaalsContact CD-NH1 3.34Å; E4-R8 WeakPolarHBondContact O-CG 3.35Å; E4-R8 PolarHBondContact O-N 2.78Å; E4-R8 PolarHBondContact O-NH1 3.23Å; E4-R8 IonicContact OE1-CZ 2.65Å; E4-R8 VanDerWaalsContact OE1-CZ 3.27Å; E4-R8 IonicContact OE1-NH1 3.23Å; E4-R8 PolarHBondContact OE1-NH1 3.15Å; E4-R8 IonicContact OE1-NH2 3.66Å; E4-R8 PolarHBondContact OE1-NH2 3.41Å; E5-R8 WeakPolarHBondContact O-CA 3.42Å; E5-R8 WeakPolarHBondContact O-CB 3.46Å; E5-R8 PolarHBondContact O-N 3.31Å; Y6-R8 VanDerWaalsContact C-N 3.33Å; Y6-R8 PolarHBondContact O-N 2.92Å; R8-L10 VanDerWaalsContact C-N 3.35Å; R8-A11 WeakPolarHBondContact O-CB 3.36Å; R8-A11 PolarHBondContact O-N 3.21Å; R8-A12 PolarHBondContact O-N 3.4Å; R8-P18 HydrophobicContact CB-CB 3.95Å; R8-P18 WeakPolarHBondContact CD-O 3.42Å; R8-P18 HydrophobicContact CG-CB 4.1Å; R8-P18 WeakPolarHBondContact CG-O 3.47Å; R8-P18 PolarHBondContact NE-O 3.48Å; R8-I25 HydrophobicContact CG-CD1 3.8Å
9E83.2Confident81.8Confident89 Ų8974.9 Ų74.942%0.41637%0.367SS..Hα-helixtrans-60.6-46171.3-66.8-169.5138.500111.2E5 Y6 A12 H13E5-E9 PolarHBondContact O-N 3.22Å; Y6-E9 PolarHBondContact O-N 3.18Å; E9-A12 PolarHBondContact O-N 2.92Å; E9-H13 PolarHBondContact O-N 3.15Å
10L87.2Confident82Confident4 Ų474 Ų742%0.02136%0.363CS..Hα-helixtrans-65.6-39178.7-164.171.8000111.7Y6 R8 H13 Y14 L29 L116 S119 L123Y6-L10 VanDerWaalsContact O-CB 3.28Å; Y6-L10 WeakPolarHBondContact O-CB 3.47Å; Y6-L10 PolarHBondContact O-N 2.96Å; R8-L10 VanDerWaalsContact C-N 3.35Å; L10-H13 PolarHBondContact O-N 2.95Å; L10-Y14 HydrophobicContact CD1-CD2 4.27Å; L10-Y14 HydrophobicContact CD1-CE2 3.78Å; L10-Y14 HydrophobicContact CG-CD2 4.15Å; L10-Y14 HydrophobicContact CG-CE2 4.09Å; L10-Y14 VanDerWaalsContact O-CD2 3.3Å; L10-Y14 WeakPolarHBondContact O-CD2 3.44Å; L10-Y14 PolarHBondContact O-N 3.18Å; L10-Y14 VanDerWaalsContact O-N 3.09Å; L10-L29 HydrophobicContact CB-CD2 4.48Å; L10-L29 HydrophobicContact CD2-CD1 3.8Å; L10-L29 HydrophobicContact CD2-CD2 3.95Å; L10-L29 HydrophobicContact CG-CD1 4.34Å; L10-L29 HydrophobicContact CG-CD2 3.84Å; L10-L116 HydrophobicContact CD2-CD1 4.41Å; L10-S119 VanDerWaalsContact CD2-CB 3.44Å; L10-L123 HydrophobicContact CD2-CD1 3.8Å
11A88.7Confident82.3Confident0 Ų074.5 Ų74.50%037%0.372CS..Hα-helixtrans-57.7-51.3171.500000111A7 R8 H13 Y14 K15 I16 I25A7-A11 VanDerWaalsContact O-CB 3.28Å; A7-A11 WeakPolarHBondContact O-CB 3.42Å; A7-A11 PolarHBondContact O-N 3.49Å; R8-A11 WeakPolarHBondContact O-CB 3.36Å; R8-A11 PolarHBondContact O-N 3.21Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.15Å; A11-Y14 CarbonylContact O-C 3.45Å; A11-Y14 PolarHBondContact O-N 2.65Å; A11-Y14 VanDerWaalsContact O-N 3.16Å; A11-K15 PolarHBondContact O-N 3.44Å; A11-I16 CarbonylContact C-O 3.35Å; A11-I16 HydrophobicContact CB-CB 3.88Å; A11-I16 HydrophobicContact CB-CG2 4.01Å; A11-I16 PolarHBondContact O-N 2.71Å; A11-I25 HydrophobicContact CB-CD1 4.41Å; A11-I25 HydrophobicContact CB-CG1 4.42Å; A11-I25 HydrophobicContact CB-CG2 3.89Å
12A87Confident84.1Confident57 Ų5768.9 Ų68.947%0.47134%0.341SS..Hα-helixtrans-59.6-40.4178.500000112.3R8 E9 Y14 K15R8-A12 PolarHBondContact O-N 3.4Å; E9-A12 PolarHBondContact O-N 2.92Å; A12-Y14 PolarHBondContact O-N 3.21Å; A12-K15 PolarHBondContact O-N 3.19Å; A12-K15 VanDerWaalsContact O-N 3.12Å
13H87Confident85.1Confident96 Ų9669.5 Ų69.544%0.44434%0.344SS..Hα-helixtrans-59.4-43.9175.3-171.472.7000112.3E9 L10 A11 K15E9-H13 PolarHBondContact O-N 3.15Å; L10-H13 PolarHBondContact O-N 2.95Å; A11-H13 VanDerWaalsContact C-N 3.31Å; A11-H13 PolarHBondContact O-N 3.15Å; H13-K15 VanDerWaalsContact C-N 3.29Å; H13-K15 PolarHBondContact O-N 2.92Å
14Y91.1Very high85.8Confident29 Ų2967.9 Ų67.911%0.11434%0.341CS..THydrogen-bonded Turntrans-88.115.3176.1-66.7-67.5000114.4L10 A11 A12 I16 L29 V32 D112 L116L10-Y14 HydrophobicContact CD1-CD2 4.27Å; L10-Y14 HydrophobicContact CD1-CE2 3.78Å; L10-Y14 HydrophobicContact CG-CD2 4.15Å; L10-Y14 HydrophobicContact CG-CE2 4.09Å; L10-Y14 VanDerWaalsContact O-CD2 3.3Å; L10-Y14 WeakPolarHBondContact O-CD2 3.44Å; L10-Y14 PolarHBondContact O-N 3.18Å; L10-Y14 VanDerWaalsContact O-N 3.09Å; A11-Y14 CarbonylContact O-C 3.45Å; A11-Y14 PolarHBondContact O-N 2.65Å; A11-Y14 VanDerWaalsContact O-N 3.16Å; A12-Y14 PolarHBondContact O-N 3.21Å; Y14-I16 PolarHBondContact O-N 2.87Å; Y14-L29 HydrophobicContact CD2-CD2 3.71Å; Y14-L29 HydrophobicContact CE2-CD2 4.5Å; Y14-L29 HydrophobicContact CG-CD2 4.43Å; Y14-V32 HydrophobicContact CD1-CG1 3.83Å; Y14-V32 HydrophobicContact CG-CG1 4.1Å; Y14-D112 PolarHBondContact OH-OD1 2.96Å; Y14-D112 VanDerWaalsContact OH-OD1 3.06Å; Y14-L116 HydrophobicContact CD2-CD1 4.12Å; Y14-L116 HydrophobicContact CE1-CD2 4.33Å; Y14-L116 HydrophobicContact CE2-CB 4.32Å; Y14-L116 HydrophobicContact CE2-CD1 3.7Å; Y14-L116 HydrophobicContact CE2-CD2 4.26Å; Y14-L116 HydrophobicContact CE2-CG 4.3Å
15K90.4Very high86.3Confident197 Ų19764.8 Ų64.886%0.85733%0.327SS*.THydrogen-bonded Turntrans60.820.9178.4-53.2-179.3-178.5178.60115.2A11 A12 H13A11-K15 PolarHBondContact O-N 3.44Å; A12-K15 PolarHBondContact O-N 3.19Å; A12-K15 VanDerWaalsContact O-N 3.12Å; H13-K15 VanDerWaalsContact C-N 3.29Å; H13-K15 PolarHBondContact O-N 2.92Å
16I89.9Confident86.8Confident18 Ų1860.4 Ų60.49%0.09231%0.307CS..  trans-80.6143.1170.2-60.7161000108.2A11 Y14 P18 L20 E28 L29 V32A11-I16 CarbonylContact C-O 3.35Å; A11-I16 HydrophobicContact CB-CB 3.88Å; A11-I16 HydrophobicContact CB-CG2 4.01Å; A11-I16 PolarHBondContact O-N 2.71Å; Y14-I16 PolarHBondContact O-N 2.87Å; I16-P18 WeakPolarHBondContact O-CD 3.41Å; I16-L20 HydrophobicContact CG2-CD1 3.83Å; I16-E28 HydrophobicContact CD1-CB 3.72Å; I16-E28 HydrophobicContact CG1-CB 3.92Å; I16-E28 HydrophobicContact CG2-CB 3.75Å; I16-E28 HydrophobicContact CG2-CG 4.28Å; I16-L29 HydrophobicContact CD1-CB 4.43Å; I16-L29 HydrophobicContact CD1-CD2 3.7Å; I16-L29 HydrophobicContact CD1-CG 3.77Å; I16-V32 HydrophobicContact CD1-CG2 4.04Å; I16-V32 HydrophobicContact CG1-CG2 4.36Å
17S87.8Confident87.1Confident63 Ų6363.8 Ų63.844%0.44132%0.323SS..  trans-66.8119.2179.7-179.90000111.6Q19 L20S17-Q19 PolarHBondContact O-N 3.26Å; S17-Q19 VanDerWaalsContact O-N 3.15Å; S17-L20 WeakPolarHBondContact O-CB 3.4Å; S17-L20 WeakPolarHBondContact O-CG 3.39Å; S17-L20 PolarHBondContact O-N 2.91Å
18P82.9Confident87.4Confident51 Ų5167.8 Ų67.833%0.33134%0.342SS..THydrogen-bonded Turntrans-72.9-3.5179.531.2-36.3000113.5R8 I16 L20R8-P18 HydrophobicContact CB-CB 3.95Å; R8-P18 WeakPolarHBondContact CD-O 3.42Å; R8-P18 HydrophobicContact CG-CB 4.1Å; R8-P18 WeakPolarHBondContact CG-O 3.47Å; R8-P18 PolarHBondContact NE-O 3.48Å; I16-P18 WeakPolarHBondContact O-CD 3.41Å; P18-L20 VanDerWaalsContact C-N 3.31Å
19Q84Confident87.7Confident171 Ų17163.7 Ų63.780%0.79933%0.326SS*.THydrogen-bonded Turntrans-82.4-7.9172.7-60.3-67.1-0.100112.9S17S17-Q19 PolarHBondContact O-N 3.26Å; S17-Q19 VanDerWaalsContact O-N 3.15Å
20L86.6Confident88Confident55 Ų5563.3 Ų63.329%0.28832%0.324SS..SBendtrans-67150.6177.1-75.1170.6000111.7I16 S17 P18 I25 E28I16-L20 HydrophobicContact CG2-CD1 3.83Å; S17-L20 WeakPolarHBondContact O-CB 3.4Å; S17-L20 WeakPolarHBondContact O-CG 3.39Å; S17-L20 PolarHBondContact O-N 2.91Å; P18-L20 VanDerWaalsContact C-N 3.31Å; L20-I25 HydrophobicContact CB-CD1 4.43Å; L20-I25 HydrophobicContact CB-CG1 3.7Å; L20-I25 WeakPolarHBondContact O-CD1 3.38Å; L20-E28 HydrophobicContact CD1-CG 4.29Å
21P86.6Confident88.2Confident86 Ų8667.4 Ų67.456%0.55835%0.345SS*.  trans-55.5147.3169.1-23.733.9000111.3H23 S24 I25P21-H23 VanDerWaalsContact C-N 3.28Å; P21-H23 PolarHBondContact O-N 2.9Å; P21-H23 VanDerWaalsContact O-N 3.15Å; P21-S24 WeakPolarHBondContact O-CA 3.24Å; P21-S24 WeakPolarHBondContact O-CB 3.48Å; P21-S24 PolarHBondContact O-N 3.49Å; P21-I25 PolarHBondContact O-N 3.14Å
22Y85.9Confident88.4Confident68 Ų6869 Ų6927%0.26736%0.355SS..Hα-helixtrans-49.4-46-177.4179.7-101.6000112.9E4 A7 S24 I25 I26 L123E4-Y22 HydrophobicContact CB-CD2 4.14Å; E4-Y22 HydrophobicContact CB-CE2 4.45Å; E4-Y22 HydrophobicContact CG-CD2 3.62Å; E4-Y22 HydrophobicContact CG-CE2 4.39Å; E4-Y22 HydrophobicContact CG-CG 4.12Å; A7-Y22 HydrophobicContact CB-CD2 3.87Å; A7-Y22 HydrophobicContact CB-CE2 3.6Å; Y22-S24 PolarHBondContact O-N 2.84Å; Y22-I25 WeakPolarHBondContact O-CB 3.42Å; Y22-I25 PolarHBondContact O-N 3.01Å; Y22-I26 HydrophobicContact CD1-CG1 4.19Å; Y22-I26 HydrophobicContact CE1-CD1 4.44Å; Y22-I26 HydrophobicContact CE1-CG1 3.85Å; Y22-I26 HydrophobicContact CE2-CD1 4.15Å; Y22-I26 HydrophobicContact CE2-CG1 4.29Å; Y22-I26 WeakPolarHBondContact O-CG1 3.35Å; Y22-I26 PolarHBondContact O-N 2.88Å; Y22-L123 HydrophobicContact CE2-CD2 4.2Å; Y22-L123 PolarHBondContact OH-O 2.99Å
23H84.9Confident88.6Confident117 Ų11766.8 Ų66.854%0.54234%0.335SS..Hα-helixtrans-58.3-45.2177.2-167.3-81.8000112.5P21 I25 I26 E27P21-H23 VanDerWaalsContact C-N 3.28Å; P21-H23 PolarHBondContact O-N 2.9Å; P21-H23 VanDerWaalsContact O-N 3.15Å; H23-I25 PolarHBondContact O-N 3.42Å; H23-I26 PolarHBondContact O-N 3.49Å; H23-E27 IonicContact CE1-OE1 3.1Å; H23-E27 PolarHBondContact CE1-OE1 3.04Å; H23-E27 IonicContact CE1-OE2 2.65Å; H23-E27 PolarHBondContact CE1-OE2 2.82Å; H23-E27 IonicContact ND1-OE2 2.85Å; H23-E27 PolarHBondContact ND1-OE2 3.24Å; H23-E27 PolarHBondContact O-N 3.26Å
24S87.4Confident88.8Confident43 Ų4366.3 Ų66.330%0.30134%0.336SS..Hα-helixtrans-66-35.6178-52.60000112.3P21 Y22 E27 E28P21-S24 WeakPolarHBondContact O-CA 3.24Å; P21-S24 WeakPolarHBondContact O-CB 3.48Å; P21-S24 PolarHBondContact O-N 3.49Å; Y22-S24 PolarHBondContact O-N 2.84Å; S24-E27 PolarHBondContact O-N 2.95Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 2.91Å
25I89.9Confident88.9Confident1 Ų167.8 Ų67.81%0.00535%0.35CS..Hα-helixtrans-60.7-47.7170.1-69.7177.2000110.4A7 R8 A11 L20 P21 Y22 H23 E27 E28 L29A7-I25 HydrophobicContact CB-CG2 3.97Å; A7-I25 WeakPolarHBondContact O-CG2 3.28Å; R8-I25 HydrophobicContact CG-CD1 3.8Å; A11-I25 HydrophobicContact CB-CD1 4.41Å; A11-I25 HydrophobicContact CB-CG1 4.42Å; A11-I25 HydrophobicContact CB-CG2 3.89Å; L20-I25 HydrophobicContact CB-CD1 4.43Å; L20-I25 HydrophobicContact CB-CG1 3.7Å; L20-I25 WeakPolarHBondContact O-CD1 3.38Å; P21-I25 PolarHBondContact O-N 3.14Å; Y22-I25 WeakPolarHBondContact O-CB 3.42Å; Y22-I25 PolarHBondContact O-N 3.01Å; H23-I25 PolarHBondContact O-N 3.42Å; I25-E27 VanDerWaalsContact C-N 3.26Å; I25-E27 PolarHBondContact O-N 3.18Å; I25-E28 PolarHBondContact O-N 3.41Å; I25-L29 HydrophobicContact CG2-CD1 3.66Å; I25-L29 HydrophobicContact CG2-CG 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 WeakPolarHBondContact O-CD1 3.37Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 3.27Å
26I89.2Confident89Confident22 Ų2260.5 Ų60.511%0.11332%0.319CS..Hα-helixtrans-63.5-31.1178.1-61.4-49.1000112A7 Y22 H23 L29 K30 L120 L123A7-I26 HydrophobicContact CB-CD1 4.34Å; Y22-I26 HydrophobicContact CD1-CG1 4.19Å; Y22-I26 HydrophobicContact CE1-CD1 4.44Å; Y22-I26 HydrophobicContact CE1-CG1 3.85Å; Y22-I26 HydrophobicContact CE2-CD1 4.15Å; Y22-I26 HydrophobicContact CE2-CG1 4.29Å; Y22-I26 WeakPolarHBondContact O-CG1 3.35Å; Y22-I26 PolarHBondContact O-N 2.88Å; H23-I26 PolarHBondContact O-N 3.49Å; I26-L29 HydrophobicContact CD1-CD1 4.29Å; I26-K30 VanDerWaalsContact O-CG 3.3Å; I26-K30 WeakPolarHBondContact O-CG 3.36Å; I26-K30 PolarHBondContact O-N 2.78Å; I26-L120 HydrophobicContact CG2-CD2 4.17Å; I26-L123 HydrophobicContact CD1-CB 3.62Å; I26-L123 HydrophobicContact CD1-CD1 3.57Å; I26-L123 HydrophobicContact CD1-CD2 4.47Å; I26-L123 HydrophobicContact CD1-CG 4.06Å
27E88Confident89.1Confident86 Ų8664.1 Ų64.140%0.40233%0.331SS..Hα-helixtrans-76.8-42.9175-68.7-164133.800113.5H23 S24 I25 L29 K30 N31H23-E27 IonicContact CE1-OE1 3.1Å; H23-E27 PolarHBondContact CE1-OE1 3.04Å; H23-E27 IonicContact CE1-OE2 2.65Å; H23-E27 PolarHBondContact CE1-OE2 2.82Å; H23-E27 IonicContact ND1-OE2 2.85Å; H23-E27 PolarHBondContact ND1-OE2 3.24Å; H23-E27 PolarHBondContact O-N 3.26Å; S24-E27 PolarHBondContact O-N 2.95Å; I25-E27 VanDerWaalsContact C-N 3.26Å; I25-E27 PolarHBondContact O-N 3.18Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 3.3Å; E27-K30 WeakPolarHBondContact O-CA 3.26Å; E27-K30 WeakPolarHBondContact O-CB 3.3Å; E27-K30 PolarHBondContact O-N 3.4Å; E27-K30 IonicContact OE1-NZ 2.66Å; E27-N31 VanDerWaalsContact O-CG 3.29Å; E27-N31 PolarHBondContact O-N 3.07Å; E27-N31 PolarHBondContact O-OD1 3.44Å
28E91.4Very high89.2Confident84 Ų8465.2 Ų65.239%0.39333%0.332SS..Hα-helixtrans-65.6-32.2175-67-69.2-164.200112.1I16 L20 S24 I25 K30 N31 V32I16-E28 HydrophobicContact CD1-CB 3.72Å; I16-E28 HydrophobicContact CG1-CB 3.92Å; I16-E28 HydrophobicContact CG2-CB 3.75Å; I16-E28 HydrophobicContact CG2-CG 4.28Å; L20-E28 HydrophobicContact CD1-CG 4.29Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 2.91Å; I25-E28 PolarHBondContact O-N 3.41Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 3.2Å; E28-N31 WeakPolarHBondContact O-CB 3.41Å; E28-N31 PolarHBondContact O-N 3.1Å; E28-N31 PolarHBondContact OE2-ND2 2.9Å; E28-V32 WeakPolarHBondContact O-CG2 3.38Å; E28-V32 PolarHBondContact O-N 2.95Å
29L91.8Very high89.6Confident0 Ų065.5 Ų65.50%033%0.33CS..Hα-helixtrans-64.9-35.1170.9-73.5165.4000112.4L10 Y14 I16 I25 I26 E27 L33 L116 L120 L123L10-L29 HydrophobicContact CB-CD2 4.48Å; L10-L29 HydrophobicContact CD2-CD1 3.8Å; L10-L29 HydrophobicContact CD2-CD2 3.95Å; L10-L29 HydrophobicContact CG-CD1 4.34Å; L10-L29 HydrophobicContact CG-CD2 3.84Å; Y14-L29 HydrophobicContact CD2-CD2 3.71Å; Y14-L29 HydrophobicContact CE2-CD2 4.5Å; Y14-L29 HydrophobicContact CG-CD2 4.43Å; I16-L29 HydrophobicContact CD1-CB 4.43Å; I16-L29 HydrophobicContact CD1-CD2 3.7Å; I16-L29 HydrophobicContact CD1-CG 3.77Å; I25-L29 HydrophobicContact CG2-CD1 3.66Å; I25-L29 HydrophobicContact CG2-CG 4.36Å; I25-L29 WeakPolarHBondContact O-CB 3.41Å; I25-L29 WeakPolarHBondContact O-CD1 3.37Å; I25-L29 WeakPolarHBondContact O-CG 3.39Å; I25-L29 PolarHBondContact O-N 3.27Å; I26-L29 HydrophobicContact CD1-CD1 4.29Å; E27-L29 VanDerWaalsContact C-N 3.27Å; E27-L29 PolarHBondContact O-N 3.3Å; L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 PolarHBondContact O-N 3.47Å; L29-L116 HydrophobicContact CB-CD1 4.33Å; L29-L116 HydrophobicContact CD2-CD1 3.89Å; L29-L120 HydrophobicContact CB-CD1 4.36Å; L29-L120 HydrophobicContact CB-CD2 3.83Å; L29-L120 HydrophobicContact CB-CG 4.33Å; L29-L123 HydrophobicContact CD1-CD1 4.28Å
30K90Very high89.9Confident82 Ų8258.6 Ų58.636%0.35730%0.299SS..Hα-helixtrans-67.8-42.2169.9-65.7162.9-163.6157.30111.2I26 E27 E28 V32 L33 D34 L120I26-K30 VanDerWaalsContact O-CG 3.3Å; I26-K30 WeakPolarHBondContact O-CG 3.36Å; I26-K30 PolarHBondContact O-N 2.78Å; E27-K30 WeakPolarHBondContact O-CA 3.26Å; E27-K30 WeakPolarHBondContact O-CB 3.3Å; E27-K30 PolarHBondContact O-N 3.4Å; E27-K30 IonicContact OE1-NZ 2.66Å; E28-K30 VanDerWaalsContact C-N 3.34Å; E28-K30 PolarHBondContact O-N 3.2Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 PolarHBondContact O-N 2.83Å; K30-L33 WeakPolarHBondContact O-CB 3.36Å; K30-L33 PolarHBondContact O-N 2.94Å; K30-L33 VanDerWaalsContact O-N 3.14Å; K30-D34 PolarHBondContact O-N 3.48Å; K30-L120 HydrophobicContact CG-CD1 4.47Å; K30-L120 HydrophobicContact CG-CD2 4.5Å
31N91.7Very high89.9Confident90 Ų9061 Ų6148%0.48131%0.308SS..Hα-helixtrans-59.5-43.9177.6-64.7-20.8000111.1E27 E28 D34 S35E27-N31 VanDerWaalsContact O-CG 3.29Å; E27-N31 PolarHBondContact O-N 3.07Å; E27-N31 PolarHBondContact O-OD1 3.44Å; E28-N31 WeakPolarHBondContact O-CB 3.41Å; E28-N31 PolarHBondContact O-N 3.1Å; E28-N31 PolarHBondContact OE2-ND2 2.9Å; N31-D34 PolarHBondContact O-N 2.79Å; N31-S35 VanDerWaalsContact O-CB 3.28Å; N31-S35 WeakPolarHBondContact O-CB 3.49Å; N31-S35 PolarHBondContact O-N 2.81Å
32V93.1Very high90Very high33 Ų3362.2 Ų62.220%0.231%0.305CS..Hα-helixtrans-63.5-43174170.90000111.3Y14 I16 E28 K30 S35 K36 L116Y14-V32 HydrophobicContact CD1-CG1 3.83Å; Y14-V32 HydrophobicContact CG-CG1 4.1Å; I16-V32 HydrophobicContact CD1-CG2 4.04Å; I16-V32 HydrophobicContact CG1-CG2 4.36Å; E28-V32 WeakPolarHBondContact O-CG2 3.38Å; E28-V32 PolarHBondContact O-N 2.95Å; K30-V32 VanDerWaalsContact C-N 3.32Å; K30-V32 PolarHBondContact O-N 2.83Å; V32-S35 PolarHBondContact O-N 3.32Å; V32-K36 HydrophobicContact CG1-CD 3.88Å; V32-K36 VanDerWaalsContact CG1-CE 3.41Å; V32-K36 HydrophobicContact CG1-CG 4.48Å; V32-K36 WeakPolarHBondContact O-CB 3.22Å; V32-K36 VanDerWaalsContact O-CG 3.26Å; V32-K36 WeakPolarHBondContact O-CG 3.4Å; V32-K36 PolarHBondContact O-N 3.26Å; V32-L116 HydrophobicContact CB-CD2 4.37Å; V32-L116 HydrophobicContact CG1-CD2 3.88Å
33L91.4Very high90.1Very high11 Ų1160.5 Ų60.56%0.05830%0.301CS..Hα-helixtrans-60.1-49175.9173.457.7000112.2L29 K30 K36 R37 I113 L116 E117 L120L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 PolarHBondContact O-N 3.47Å; K30-L33 WeakPolarHBondContact O-CB 3.36Å; K30-L33 PolarHBondContact O-N 2.94Å; K30-L33 VanDerWaalsContact O-N 3.14Å; L33-K36 PolarHBondContact O-N 2.96Å; L33-R37 HydrophobicContact CD1-CG 4.14Å; L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.42Å; L33-R37 PolarHBondContact O-N 2.85Å; L33-I113 HydrophobicContact CD1-CB 4.49Å; L33-I113 HydrophobicContact CD1-CG1 4.45Å; L33-I113 HydrophobicContact CD1-CG2 3.95Å; L33-L116 HydrophobicContact CB-CD2 3.7Å; L33-L116 HydrophobicContact CB-CG 4.03Å; L33-L116 HydrophobicContact CD1-CD2 4.44Å; L33-L116 HydrophobicContact CD1-CG 4.41Å; L33-E117 HydrophobicContact CD1-CG 3.66Å; L33-E117 HydrophobicContact CD2-CG 3.68Å; L33-E117 HydrophobicContact CG-CG 4.33Å; L33-L120 HydrophobicContact CB-CD1 4.26Å; L33-L120 HydrophobicContact CD2-CD1 3.74Å
34D90.4Very high90Very high85 Ų8560.1 Ų60.146%0.45530%0.295SS..Hα-helixtrans-72.1-31.1-178.3-73-31.5000112.3K30 N31 R37 L38K30-D34 PolarHBondContact O-N 3.48Å; N31-D34 PolarHBondContact O-N 2.79Å; D34-R37 VanDerWaalsContact OD1-CD 3.24Å; D34-R37 WeakPolarHBondContact OD1-CD 3.31Å; D34-R37 IonicContact OD1-CZ 3.36Å; D34-R37 IonicContact OD1-NE 2.87Å; D34-R37 IonicContact OD1-NH1 3.96Å; D34-R37 PolarHBondContact OD1-NH1 3.35Å; D34-L38 WeakPolarHBondContact O-CB 3.3Å; D34-L38 PolarHBondContact O-N 3.08Å
35S93.4Very high89.9Confident60 Ų6064.8 Ų64.842%0.4231%0.31SS..Hα-helixtrans-62.1-47167.3-170.80000111.5N31 V32 L38 D39N31-S35 VanDerWaalsContact O-CB 3.28Å; N31-S35 WeakPolarHBondContact O-CB 3.49Å; N31-S35 PolarHBondContact O-N 2.81Å; V32-S35 PolarHBondContact O-N 3.32Å; S35-L38 WeakPolarHBondContact O-CB 3.07Å; S35-L38 PolarHBondContact O-N 2.91Å; S35-D39 PolarHBondContact O-N 3.24Å
36K92.6Very high89.6Confident45 Ų4569.1 Ų69.120%0.19633%0.332CS..Hα-helixtrans-64-41.5177-74.3171.3-179.6-72.20112V32 L33 L38 D39 L40 L109 D112 I113 L116V32-K36 HydrophobicContact CG1-CD 3.88Å; V32-K36 VanDerWaalsContact CG1-CE 3.41Å; V32-K36 HydrophobicContact CG1-CG 4.48Å; V32-K36 WeakPolarHBondContact O-CB 3.22Å; V32-K36 VanDerWaalsContact O-CG 3.26Å; V32-K36 WeakPolarHBondContact O-CG 3.4Å; V32-K36 PolarHBondContact O-N 3.26Å; L33-K36 PolarHBondContact O-N 2.96Å; K36-L38 VanDerWaalsContact C-N 3.31Å; K36-L38 PolarHBondContact O-N 2.99Å; K36-D39 PolarHBondContact O-N 3.45Å; K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 PolarHBondContact O-N 3.44Å; K36-L109 HydrophobicContact CB-CD1 3.92Å; K36-L109 HydrophobicContact CD-CD1 4.46Å; K36-L109 HydrophobicContact CG-CD1 3.94Å; K36-D112 WeakPolarHBondContact CD-OD2 3.28Å; K36-D112 WeakPolarHBondContact CE-OD2 3.43Å; K36-D112 IonicContact NZ-OD2 2.71Å; K36-D112 PolarHBondContact NZ-OD2 2.89Å; K36-I113 HydrophobicContact CB-CD1 4.08Å; K36-I113 HydrophobicContact CB-CG1 3.75Å; K36-L116 HydrophobicContact CD-CD2 4.33Å
37R91.6Very high89.4Confident94 Ų9471.3 Ų71.336%0.35534%0.341SS..Hα-helixtrans-59.8-40.5172.3-73.7162164-177-6.4111.7L33 D34 L40 Q41 I113 E117L33-R37 HydrophobicContact CD1-CG 4.14Å; L33-R37 WeakPolarHBondContact O-CB 3.34Å; L33-R37 VanDerWaalsContact O-CG 3.3Å; L33-R37 WeakPolarHBondContact O-CG 3.42Å; L33-R37 PolarHBondContact O-N 2.85Å; D34-R37 VanDerWaalsContact OD1-CD 3.24Å; D34-R37 WeakPolarHBondContact OD1-CD 3.31Å; D34-R37 IonicContact OD1-CZ 3.36Å; D34-R37 IonicContact OD1-NE 2.87Å; D34-R37 IonicContact OD1-NH1 3.96Å; D34-R37 PolarHBondContact OD1-NH1 3.35Å; R37-L40 PolarHBondContact O-N 2.82Å; R37-Q41 WeakPolarHBondContact O-CG 3.26Å; R37-Q41 PolarHBondContact O-N 2.84Å; R37-I113 HydrophobicContact CG-CD1 4.32Å; R37-I113 HydrophobicContact CG-CG2 4.31Å; R37-E117 IonicContact CZ-OE1 3.41Å; R37-E117 VanDerWaalsContact CZ-OE1 3.23Å; R37-E117 IonicContact NE-OE1 3.48Å; R37-E117 PolarHBondContact NE-OE1 3.27Å; R37-E117 IonicContact NH2-OE1 3.18Å; R37-E117 PolarHBondContact NH2-OE1 3.22Å
38L91.5Very high89.1Confident86 Ų8669.6 Ų69.645%0.4534%0.342SS..Hα-helixtrans-66-40.6174.5-179.964.1000111.7D34 S35 K36 Q41 K42D34-L38 WeakPolarHBondContact O-CB 3.3Å; D34-L38 PolarHBondContact O-N 3.08Å; S35-L38 WeakPolarHBondContact O-CB 3.07Å; S35-L38 PolarHBondContact O-N 2.91Å; K36-L38 VanDerWaalsContact C-N 3.31Å; K36-L38 PolarHBondContact O-N 2.99Å; L38-Q41 WeakPolarHBondContact O-CB 3.39Å; L38-Q41 PolarHBondContact O-N 2.68Å; L38-K42 WeakPolarHBondContact O-CG 3.38Å; L38-K42 PolarHBondContact O-N 3.49Å
39D90.3Very high88.6Confident56 Ų5667.1 Ų67.130%0.29934%0.339SS..Hα-helixtrans-66.8-37.4174.8-70.8-33.7000112.3S35 K36 Q41 K42 L43 L109S35-D39 PolarHBondContact O-N 3.24Å; K36-D39 PolarHBondContact O-N 3.45Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; D39-Q41 PolarHBondContact O-N 2.97Å; D39-K42 CarbonylContact O-C 3.3Å; D39-K42 WeakPolarHBondContact O-CA 3.41Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 2.87Å; D39-K42 VanDerWaalsContact O-N 3.08Å; D39-K42 WeakPolarHBondContact OD1-CD 3.48Å; D39-K42 WeakPolarHBondContact OD1-CE 3.21Å; D39-K42 IonicContact OD1-NZ 3.32Å; D39-K42 PolarHBondContact OD1-NZ 2.9Å; D39-L43 PolarHBondContact O-N 3.37Å; D39-L109 HydrophobicContact CB-CD2 3.93Å
40L89.9Confident88.1Confident26 Ų2667.9 Ų67.914%0.13634%0.344CS..Hα-helixtrans-62.4-39.9171.3-173.167.5000110.9K36 R37 L43 Y44 V106 L109 A110 I113K36-L40 WeakPolarHBondContact O-CB 3.42Å; K36-L40 PolarHBondContact O-N 3.44Å; R37-L40 PolarHBondContact O-N 2.82Å; L40-L43 PolarHBondContact O-N 2.9Å; L40-Y44 HydrophobicContact CD1-CD2 4.27Å; L40-Y44 HydrophobicContact CD1-CE2 3.85Å; L40-Y44 HydrophobicContact CD2-CE2 4.03Å; L40-Y44 HydrophobicContact CG-CD2 3.9Å; L40-Y44 HydrophobicContact CG-CE2 3.67Å; L40-Y44 WeakPolarHBondContact O-CD2 3.46Å; L40-Y44 PolarHBondContact O-N 2.62Å; L40-V106 HydrophobicContact CD1-CB 4.38Å; L40-V106 HydrophobicContact CD1-CG1 4.09Å; L40-V106 HydrophobicContact CD1-CG2 4.37Å; L40-L109 HydrophobicContact CB-CD2 3.9Å; L40-L109 HydrophobicContact CB-CG 4.32Å; L40-L109 HydrophobicContact CD1-CB 4.39Å; L40-L109 HydrophobicContact CD1-CD2 4.36Å; L40-L109 HydrophobicContact CD1-CG 4.43Å; L40-A110 HydrophobicContact CD1-CB 4.4Å; L40-A110 HydrophobicContact CD2-CB 4.38Å; L40-I113 HydrophobicContact CB-CD1 3.85Å; L40-I113 HydrophobicContact CD2-CD1 3.73Å; L40-I113 HydrophobicContact CG-CD1 4.33Å
41Q86.8Confident87.4Confident105 Ų10566.9 Ų66.949%0.49134%0.34SS..Hα-helixtrans-64.4-36.7170.7-70.8-176.325.600112.9R37 L38 D39 K45R37-Q41 WeakPolarHBondContact O-CG 3.26Å; R37-Q41 PolarHBondContact O-N 2.84Å; L38-Q41 WeakPolarHBondContact O-CB 3.39Å; L38-Q41 PolarHBondContact O-N 2.68Å; D39-Q41 VanDerWaalsContact C-N 3.32Å; D39-Q41 PolarHBondContact O-N 2.97Å; Q41-K45 WeakPolarHBondContact O-CB 3.46Å; Q41-K45 VanDerWaalsContact O-CG 3.26Å; Q41-K45 WeakPolarHBondContact O-CG 3.32Å; Q41-K45 PolarHBondContact O-N 3.35Å
42K88.6Confident86.7Confident112 Ų11269.8 Ų69.849%0.48735%0.348SS..Hα-helixtrans-63.1-45.4173.1-67.1170.9-163.21580110.5L38 D39 K45 L46L38-K42 WeakPolarHBondContact O-CG 3.38Å; L38-K42 PolarHBondContact O-N 3.49Å; D39-K42 CarbonylContact O-C 3.3Å; D39-K42 WeakPolarHBondContact O-CA 3.41Å; D39-K42 WeakPolarHBondContact O-CB 3.49Å; D39-K42 PolarHBondContact O-N 2.87Å; D39-K42 VanDerWaalsContact O-N 3.08Å; D39-K42 WeakPolarHBondContact OD1-CD 3.48Å; D39-K42 WeakPolarHBondContact OD1-CE 3.21Å; D39-K42 IonicContact OD1-NZ 3.32Å; D39-K42 PolarHBondContact OD1-NZ 2.9Å; K42-K45 PolarHBondContact O-N 3.35Å; K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.5Å
43L87.5Confident85.8Confident33 Ų3373.7 Ų73.717%0.17337%0.367CS..Hα-helixtrans-63.9-40.8176.8-71.4176.7000112.4D39 L40 L46 K47 D105 V106 L109D39-L43 PolarHBondContact O-N 3.37Å; L40-L43 PolarHBondContact O-N 2.9Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-K47 VanDerWaalsContact O-CB 3.28Å; L43-K47 WeakPolarHBondContact O-CB 3.35Å; L43-K47 PolarHBondContact O-N 3.17Å; L43-D105 HydrophobicContact CD1-CB 3.8Å; L43-D105 HydrophobicContact CD2-CB 4.18Å; L43-V106 HydrophobicContact CB-CG2 3.65Å; L43-V106 HydrophobicContact CD1-CG2 4.23Å; L43-L109 HydrophobicContact CD1-CD2 3.88Å
44Y84.4Confident84.9Confident108 Ų10879.5 Ų79.542%0.42439%0.389SS..Hα-helixtrans-64.3-39.9172.9-83-62.4000112.6L40 K47 A48 V106L40-Y44 HydrophobicContact CD1-CD2 4.27Å; L40-Y44 HydrophobicContact CD1-CE2 3.85Å; L40-Y44 HydrophobicContact CD2-CE2 4.03Å; L40-Y44 HydrophobicContact CG-CD2 3.9Å; L40-Y44 HydrophobicContact CG-CE2 3.67Å; L40-Y44 WeakPolarHBondContact O-CD2 3.46Å; L40-Y44 PolarHBondContact O-N 2.62Å; Y44-K47 PolarHBondContact O-N 3.41Å; Y44-A48 WeakPolarHBondContact O-CB 3.39Å; Y44-A48 PolarHBondContact O-N 2.87Å; Y44-V106 HydrophobicContact CE1-CG1 3.98Å; Y44-V106 HydrophobicContact CE2-CG1 4.24Å
45K84.2Confident84.1Confident141 Ų14180.6 Ų80.661%0.61340%0.395SS*.Hα-helixtrans-64.3-41173.4-74.3166.4-178.1168.20111.5Q41 K42 A48 G49Q41-K45 WeakPolarHBondContact O-CB 3.46Å; Q41-K45 VanDerWaalsContact O-CG 3.26Å; Q41-K45 WeakPolarHBondContact O-CG 3.32Å; Q41-K45 PolarHBondContact O-N 3.35Å; K42-K45 PolarHBondContact O-N 3.35Å; K45-A48 PolarHBondContact O-N 3.13Å; K45-G49 PolarHBondContact O-N 3.42Å
46L84.6Confident82.8Confident92 Ų9281.6 Ų81.648%0.48241%0.407SS..Hα-helixtrans-65.3-46.3175.5-174.664.9000111.3K42 L43 A48 G49 V50 I102K42-L46 WeakPolarHBondContact O-CB 3.3Å; K42-L46 PolarHBondContact O-N 3.5Å; L43-L46 PolarHBondContact O-N 3.48Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.38Å; L46-G49 CarbonylContact O-C 3.51Å; L46-G49 PolarHBondContact O-N 3.12Å; L46-G49 VanDerWaalsContact O-N 3.1Å; L46-V50 HydrophobicContact CD1-CG2 4.22Å; L46-V50 HydrophobicContact CG-CG2 4.33Å; L46-V50 WeakPolarHBondContact O-CB 3.4Å; L46-V50 WeakPolarHBondContact O-CG2 3.2Å; L46-V50 PolarHBondContact O-N 3Å; L46-I102 HydrophobicContact CD2-CD1 3.86Å; L46-I102 HydrophobicContact CD2-CG1 4.21Å; L46-I102 HydrophobicContact CG-CD1 3.81Å
47K84.4Confident80.9Confident68 Ų6882.4 Ų82.430%0.29642%0.422SS..Hα-helixtrans-55.2-46.7173.7-175.2167.1169.3168.70111.6L43 Y44 Q51 I102 N103L43-K47 VanDerWaalsContact O-CB 3.28Å; L43-K47 WeakPolarHBondContact O-CB 3.35Å; L43-K47 PolarHBondContact O-N 3.17Å; Y44-K47 PolarHBondContact O-N 3.41Å; K47-Q51 VanDerWaalsContact O-CB 3.25Å; K47-Q51 WeakPolarHBondContact O-CB 3.13Å; K47-Q51 PolarHBondContact O-N 3.09Å; K47-I102 HydrophobicContact CB-CG2 3.77Å; K47-I102 HydrophobicContact CD-CG2 4.4Å; K47-I102 HydrophobicContact CG-CG2 4.36Å; K47-N103 WeakPolarHBondContact CE-OD1 3.29Å; K47-N103 PolarHBondContact NZ-OD1 3.16Å
48A82.3Confident78.8Confident51 Ų5181.4 Ų81.442%0.42144%0.441SS..Hα-helixtrans-65.5-37.317600000112.6Y44 K45 L46 K52Y44-A48 WeakPolarHBondContact O-CB 3.39Å; Y44-A48 PolarHBondContact O-N 2.87Å; K45-A48 PolarHBondContact O-N 3.13Å; L46-A48 VanDerWaalsContact C-N 3.33Å; L46-A48 PolarHBondContact O-N 3.38Å; A48-K52 WeakPolarHBondContact O-CB 3.25Å; A48-K52 VanDerWaalsContact O-CG 3.29Å; A48-K52 WeakPolarHBondContact O-CG 3.32Å; A48-K52 PolarHBondContact O-N 3.36Å
49G80.1Confident76.2Confident31 Ų3186.1 Ų86.132%0.3246%0.457SS..Hα-helixtrans-66.5-47.6174.300000113K45 L46 Q51 K52 L53K45-G49 PolarHBondContact O-N 3.42Å; L46-G49 CarbonylContact O-C 3.51Å; L46-G49 PolarHBondContact O-N 3.12Å; L46-G49 VanDerWaalsContact O-N 3.1Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; G49-Q51 PolarHBondContact O-N 3.46Å; G49-K52 PolarHBondContact O-N 3.27Å; G49-L53 WeakPolarHBondContact O-CG 3.28Å; G49-L53 PolarHBondContact O-N 3.37Å
50V81.2Confident73.3Confident17 Ų1789.3 Ų89.310%0.10348%0.484CS..Hα-helixtrans-66.4-35.9177.9175.70000111.4L46 L53 R54 T95 V98 I99 I102L46-V50 HydrophobicContact CD1-CG2 4.22Å; L46-V50 HydrophobicContact CG-CG2 4.33Å; L46-V50 WeakPolarHBondContact O-CB 3.4Å; L46-V50 WeakPolarHBondContact O-CG2 3.2Å; L46-V50 PolarHBondContact O-N 3Å; V50-L53 PolarHBondContact O-N 2.95Å; V50-R54 WeakPolarHBondContact O-CB 3.08Å; V50-R54 PolarHBondContact O-N 3.41Å; V50-T95 HydrophobicContact CG1-CG2 3.58Å; V50-V98 HydrophobicContact CG1-CB 4.23Å; V50-V98 HydrophobicContact CG1-CG1 3.92Å; V50-V98 HydrophobicContact CG2-CG1 4.05Å; V50-I99 HydrophobicContact CG1-CD1 4.23Å; V50-I99 HydrophobicContact CG1-CG1 3.71Å; V50-I102 HydrophobicContact CB-CD1 4.44Å; V50-I102 HydrophobicContact CG2-CD1 4.01Å
51Q75.7Confident70.7Confident61 Ų6194.6 Ų94.629%0.28552%0.517SS..Hα-helixtrans-67.8-46.5172.2-17458.550.300111.1K47 G49 L53 R54 D55K47-Q51 VanDerWaalsContact O-CB 3.25Å; K47-Q51 WeakPolarHBondContact O-CB 3.13Å; K47-Q51 PolarHBondContact O-N 3.09Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; G49-Q51 PolarHBondContact O-N 3.46Å; Q51-L53 VanDerWaalsContact C-N 3.25Å; Q51-L53 PolarHBondContact O-N 3.28Å; Q51-R54 CarbonylContact O-C 3.55Å; Q51-R54 WeakPolarHBondContact O-CA 3.48Å; Q51-R54 VanDerWaalsContact O-CB 3.27Å; Q51-R54 WeakPolarHBondContact O-CB 3.35Å; Q51-R54 PolarHBondContact O-N 2.84Å; Q51-D55 VanDerWaalsContact NE2-CG 3.35Å; Q51-D55 PolarHBondContact NE2-OD1 2.96Å; Q51-D55 PolarHBondContact NE2-OD2 3.43Å; Q51-D55 PolarHBondContact O-N 3.16Å; Q51-D55 VanDerWaalsContact O-OD2 3.04Å
52K77.5Confident68.2Low151 Ų15194.5 Ų94.566%0.65753%0.528SS*.Hα-helixtrans-57.3-37.3172.3-77.2177.5179.8-173.70112.9A48 G49 D55 A56A48-K52 WeakPolarHBondContact O-CB 3.25Å; A48-K52 VanDerWaalsContact O-CG 3.29Å; A48-K52 WeakPolarHBondContact O-CG 3.32Å; A48-K52 PolarHBondContact O-N 3.36Å; G49-K52 PolarHBondContact O-N 3.27Å; K52-D55 PolarHBondContact O-N 3.4Å; K52-A56 VanDerWaalsContact O-CB 3.25Å; K52-A56 WeakPolarHBondContact O-CB 3.46Å; K52-A56 PolarHBondContact O-N 2.95Å
53L74.1Confident65.7Low114 Ų11493.6 Ų93.660%0.59754%0.542SS*.Hα-helixtrans-68-37.8172.9-74.1171.6000112.1G49 V50 Q51 D55 A57G49-L53 WeakPolarHBondContact O-CG 3.28Å; G49-L53 PolarHBondContact O-N 3.37Å; V50-L53 PolarHBondContact O-N 2.95Å; Q51-L53 VanDerWaalsContact C-N 3.25Å; Q51-L53 PolarHBondContact O-N 3.28Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 2.97Å; L53-A57 WeakPolarHBondContact O-CA 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.25Å; L53-A57 PolarHBondContact O-N 2.95Å
54R72Confident63.1Low133 Ų13398.3 Ų98.350%0.50257%0.572SS.*Hα-helixtrans-61.4-40.7172.2-175.8179.6173.7-165.50.4111.9V50 Q51 T95V50-R54 WeakPolarHBondContact O-CB 3.08Å; V50-R54 PolarHBondContact O-N 3.41Å; Q51-R54 CarbonylContact O-C 3.55Å; Q51-R54 WeakPolarHBondContact O-CA 3.48Å; Q51-R54 VanDerWaalsContact O-CB 3.27Å; Q51-R54 WeakPolarHBondContact O-CB 3.35Å; Q51-R54 PolarHBondContact O-N 2.84Å; R54-T95 HydrophobicContact CB-CG2 3.88Å; R54-T95 HydrophobicContact CG-CG2 4.49Å
55D72.4Confident60.8Low109 Ų109101 Ų10158%0.58359%0.591SS**Hα-helixtrans-75.9-33.4-177.7-57.1-30.8000111.7Q51 K52 L53Q51-D55 VanDerWaalsContact NE2-CG 3.35Å; Q51-D55 PolarHBondContact NE2-OD1 2.96Å; Q51-D55 PolarHBondContact NE2-OD2 3.43Å; Q51-D55 PolarHBondContact O-N 3.16Å; Q51-D55 VanDerWaalsContact O-OD2 3.04Å; K52-D55 PolarHBondContact O-N 3.4Å; L53-D55 VanDerWaalsContact C-N 3.32Å; L53-D55 PolarHBondContact O-N 2.97Å
56A66.5Low58.4Low81 Ų8199.4 Ų99.467%0.66960%0.595SS**Hα-helixtrans-83.5-34.2177.100000114.1K52 G58K52-A56 VanDerWaalsContact O-CB 3.25Å; K52-A56 WeakPolarHBondContact O-CB 3.46Å; K52-A56 PolarHBondContact O-N 2.95Å; A56-G58 PolarHBondContact O-N 3.47Å
57A54Low55.7Low62 Ų62100.7 Ų100.751%0.51261%0.612SS.*  trans-79.129.3-174.900000114.3L53 K59L53-A57 WeakPolarHBondContact O-CA 3.3Å; L53-A57 WeakPolarHBondContact O-CB 3.25Å; L53-A57 PolarHBondContact O-N 2.95Å; A57-K59 PolarHBondContact O-N 3.3Å; A57-K59 VanDerWaalsContact O-N 3.09Å
58G46Very low53.2Low73 Ų73102.2 Ų102.275%0.75363%0.631SS**SBendtrans-62.6-4.9165.200000113.8A56A56-G58 PolarHBondContact O-N 3.47Å
59K37.6Very low50.9Low184 Ų184107.3 Ų107.380%0.865%0.651SS**SBendtrans-131.6141.6166.5-63.9-177.7-177.9177.30109.4A57A57-K59 PolarHBondContact O-N 3.3Å; A57-K59 VanDerWaalsContact O-N 3.09Å
60S30.5Very low48.7Very low123 Ų123112.8 Ų112.886%0.8667%0.673SS**  trans-65.8130.1-165.8-167.90000113.9
61V34Very low46.3Very low138 Ų138121.5 Ų121.584%0.83671%0.71SS**  trans-139.5129.9161.3-178.30000108.7
62S35.2Very low44.3Very low102 Ų102126.2 Ų126.271%0.71373%0.734SS**  trans-112.2142.1173.557.10000111.2
63A35.2Very low42.3Very low94 Ų94125.4 Ų125.478%0.77774%0.742SS**  trans64.7100.4167.600000118.1
64V32.9Very low40.2Very low132 Ų132123.6 Ų123.680%0.875%0.751SS**  -139.4115128.4-176.60000108.2P66V64-P66 HydrophobicContact CG1-CG 4.36Å
65I35.3Very low38.5Very low164 Ų164122.6 Ų122.684%0.84176%0.762SS**  trans-137.8109.1162.5-59.4179.6000106.8
66P33.8Very low36.6Very low107 Ų107125 Ų12570%0.69577%0.774SS**  trans-78.4142.8170.7-10.528.8000110.5V64V64-P66 HydrophobicContact CG1-CG 4.36Å
67S29.3Very low35Very low120 Ų120126.4 Ų126.484%0.83978%0.78SS**  trans-117107.9178.958.80000111.7
68S32.4Very low34.1Very low99 Ų99128.8 Ų128.869%0.69280%0.799SS**  trans-168.3133.4174.750.10000107.5
69N32.8Very low33.4Very low158 Ų158128.6 Ų128.685%0.84580%0.797SS**  cis47.464.414.4-78.224.9000113.3
70D33.3Very low33.4Very low146 Ų146126.3 Ų126.378%0.78180%0.801SS**  177.7118.7119-89.4-16.9000111.1
71F32.3Very low33.2Very low201 Ų201130.1 Ų130.188%0.88280%0.802SS**  trans-15294.6156.9-110.3-77.8000109.4
72M34.2Very low33.1Very low159 Ų159132.8 Ų132.878%0.78381%0.806SS**  trans22.4135.4140.7-52.1-177.595.800118.7
73T35.1Very low32.7Very low134 Ų134131.2 Ų131.282%0.82281%0.805SS**  cis-171.3147.8315.40000109
74G29.9Very low32.3Very low76 Ų76137.6 Ų137.678%0.78481%0.811SS**  trans146.8124.1170.300000113.5
75P35.8Very low32.2Very low112 Ų112137.8 Ų137.873%0.72781%0.813SS**  trans-111.6177.1-163.841.5-36.2000116.7
76N32.8Very low31.9Very low159 Ų159138.5 Ų138.585%0.8582%0.817SS**  trans89.1134.4172.4-51.5-28.2000115.1
77S33.6Very low31.7Very low112 Ų112138.4 Ų138.478%0.78381%0.811SS**  cis-149.3135.83.755.30000114.7
78A34.6Very low31.7Very low111 Ų111144.4 Ų144.492%0.91782%0.815SS**  trans29.1118.7151.300000122.1
79G31.1Very low31.8Very low69 Ų69147.5 Ų147.571%0.71182%0.816SS**  trans-165.6122.7155.900000109.6
80P36.5Very low31.7Very low137 Ų137145.5 Ų145.589%0.8981%0.814SS**  trans-82.2167.1-167.832.2-35.5000114.5
81K28Very low31.6Very low203 Ų203144.1 Ų144.188%0.88382%0.816SS**  trans-103143.3-174.1-54.8168.9-177.4174.10111.4
82E31.7Very low31.7Very low194 Ų194145.7 Ų145.791%0.90782%0.816SS**  trans-105.8157.9141.8-67.2-165.215100108.7
83G25.8Very low32.6Very low68 Ų68143.1 Ų143.170%0.70181%0.809SS**  trans-152.1143.4-173.900000113.5
84Y27.8Very low34.1Very low229 Ų229140.8 Ų140.890%0.89880%0.795SS**  trans-119.9147.3170.2-82.6-87.3000110.7
85T29.4Very low36.1Very low136 Ų136140 Ų14083%0.83478%0.775SS**  trans-81132.9-165.448.20000113.6D87T85-D87 PolarHBondContact O-N 2.92Å
86L29.8Very low37.7Very low178 Ų178137.6 Ų137.693%0.93276%0.761SS**  trans-72.6109.8170-101.9158.9000111.2
87D29Very low39.7Very low106 Ų106132.2 Ų132.257%0.56774%0.738SS**  trans-74.5140.7173.7-177.121000111.7T85 K89T85-D87 PolarHBondContact O-N 2.92Å; D87-K89 VanDerWaalsContact C-N 3.28Å; D87-K89 PolarHBondContact O-N 3.08Å; D87-K89 IonicContact OD1-NZ 3.72Å; D87-K89 PolarHBondContact OD1-NZ 2.93Å; D87-K89 IonicContact OD2-NZ 3.91Å; D87-K89 PolarHBondContact OD2-NZ 3.47Å
88R30.8Very low41.8Very low246 Ų246129.3 Ų129.393%0.92872%0.716SS**THydrogen-bonded Turntrans-90.335.1-153.1-150.4174.5-172.4173.72113.7
89K34Very low43.9Very low164 Ų164124.8 Ų124.871%0.71368%0.676SS**THydrogen-bonded Turntrans-109.3-10.3-165.2-63.6-170179.977.40116.6D87 S91D87-K89 VanDerWaalsContact C-N 3.28Å; D87-K89 PolarHBondContact O-N 3.08Å; D87-K89 IonicContact OD1-NZ 3.72Å; D87-K89 PolarHBondContact OD1-NZ 2.93Å; D87-K89 IonicContact OD2-NZ 3.91Å; D87-K89 PolarHBondContact OD2-NZ 3.47Å; K89-S91 PolarHBondContact O-N 3.42Å
90S31.3Very low46Very low116 Ų116128.8 Ų128.881%0.81167%0.674SS**  trans-92.195-176.1-164.60000112.9
91S30.8Very low48.1Very low116 Ų116125.3 Ų125.381%0.81165%0.652SS**  trans-155.472.1168.8-158.60000112.9K89K89-S91 PolarHBondContact O-N 3.42Å
92R34.6Very low50.8Low234 Ų234115.9 Ų115.988%0.88361%0.612SS**  trans-160.140.8167.8-118.2174.5-167.1-172.24.4113.6T94R92-T94 PolarHBondContact O-N 2.8Å
93V52.2Low53Low105 Ų105109.5 Ų109.564%0.63658%0.584SS**  trans-70.5125.2174-169.10000109.1A97 V98V93-A97 HydrophobicContact CG1-CB 4.03Å; V93-V98 HydrophobicContact CG1-CG2 3.67Å
94T67.2Low55.6Low86 Ų86109.2 Ų109.253%0.52857%0.571SS.*  trans-85.5152.7177.765.80000111.1R92 S96 A97 V98R92-T94 PolarHBondContact O-N 2.8Å; T94-S96 PolarHBondContact O-N 2.92Å; T94-S96 VanDerWaalsContact O-N 3.09Å; T94-A97 WeakPolarHBondContact O-CA 3.48Å; T94-A97 WeakPolarHBondContact O-CB 3.01Å; T94-A97 PolarHBondContact O-N 3.15Å; T94-A97 PolarHBondContact OG1-N 2.59Å; T94-V98 PolarHBondContact O-N 2.84Å
95T70.8Confident58.3Low59 Ų59101.3 Ų101.336%0.36254%0.544SS..Hα-helixtrans-55.7-30.5177.1-30.70000112.5V50 R54 I99V50-T95 HydrophobicContact CG1-CG2 3.58Å; R54-T95 HydrophobicContact CB-CG2 3.88Å; R54-T95 HydrophobicContact CG-CG2 4.49Å; T95-I99 HydrophobicContact CG2-CD1 4.43Å; T95-I99 WeakPolarHBondContact O-CB 3.5Å; T95-I99 WeakPolarHBondContact O-CD1 3.27Å; T95-I99 VanDerWaalsContact O-CG1 3.24Å; T95-I99 WeakPolarHBondContact O-CG1 3.39Å; T95-I99 PolarHBondContact O-N 2.96Å
96S69.9Low60.9Low62 Ų6295.3 Ų95.343%0.43451%0.508SS..Hα-helixtrans-67.6-40.7173.9-170.60000112.7T94 I99 K100T94-S96 PolarHBondContact O-N 2.92Å; T94-S96 VanDerWaalsContact O-N 3.09Å; S96-I99 PolarHBondContact O-N 3.5Å; S96-K100 PolarHBondContact O-N 3.42Å
97A74.2Confident63.2Low45 Ų4591 Ų9137%0.37248%0.483SS..Hα-helixtrans-66.2-40.7174.300000111.7V93 T94 K100 S101V93-A97 HydrophobicContact CG1-CB 4.03Å; T94-A97 WeakPolarHBondContact O-CA 3.48Å; T94-A97 WeakPolarHBondContact O-CB 3.01Å; T94-A97 PolarHBondContact O-N 3.15Å; T94-A97 PolarHBondContact OG1-N 2.59Å; A97-K100 PolarHBondContact O-N 2.94Å; A97-S101 PolarHBondContact O-N 3.36Å
98V77.3Confident65.7Low51 Ų5188.8 Ų88.831%0.30947%0.471SS..Hα-helixtrans-61.1-45.1173.9-177.10000111.1V50 V93 T94 K100 S101 I102V50-V98 HydrophobicContact CG1-CB 4.23Å; V50-V98 HydrophobicContact CG1-CG1 3.92Å; V50-V98 HydrophobicContact CG2-CG1 4.05Å; V93-V98 HydrophobicContact CG1-CG2 3.67Å; T94-V98 PolarHBondContact O-N 2.84Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 3.31Å; V98-S101 PolarHBondContact O-N 2.88Å; V98-I102 HydrophobicContact CG1-CD1 3.69Å; V98-I102 HydrophobicContact CG1-CG1 4.38Å; V98-I102 VanDerWaalsContact O-CG1 3.32Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.97Å
99I79.1Confident68.5Low17 Ų1778.4 Ų78.49%0.08743%0.434CS..Hα-helixtrans-63.9-37.2176.7-70.2164.2000111.6V50 T95 S96 N103V50-I99 HydrophobicContact CG1-CD1 4.23Å; V50-I99 HydrophobicContact CG1-CG1 3.71Å; T95-I99 HydrophobicContact CG2-CD1 4.43Å; T95-I99 WeakPolarHBondContact O-CB 3.5Å; T95-I99 WeakPolarHBondContact O-CD1 3.27Å; T95-I99 VanDerWaalsContact O-CG1 3.24Å; T95-I99 WeakPolarHBondContact O-CG1 3.39Å; T95-I99 PolarHBondContact O-N 2.96Å; S96-I99 PolarHBondContact O-N 3.5Å; I99-N103 WeakPolarHBondContact O-CB 3.29Å; I99-N103 PolarHBondContact O-N 3.43Å; I99-N103 PolarHBondContact O-ND2 2.86Å; I99-N103 PolarHBondContact O-OD1 3.26Å
100K76.6Confident70.7Confident153 Ų15371.6 Ų71.667%0.66541%0.408SS*.Hα-helixtrans-63.9-45.1173.8-79.3-167.4173.7-163.70112.3S96 A97 V98 N103 S104S96-K100 PolarHBondContact O-N 3.42Å; A97-K100 PolarHBondContact O-N 2.94Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 3.31Å; K100-N103 PolarHBondContact O-N 2.84Å; K100-S104 PolarHBondContact O-N 2.88Å; K100-S104 VanDerWaalsContact O-N 3.14Å
101S80.1Confident73Confident63 Ų6367.4 Ų67.444%0.44138%0.376SS..Hα-helixtrans-57-56.5174.3-167.20000110.4A97 V98 N103 S104 D105A97-S101 PolarHBondContact O-N 3.36Å; V98-S101 PolarHBondContact O-N 2.88Å; S101-N103 PolarHBondContact O-N 3.01Å; S101-N103 VanDerWaalsContact O-N 3.11Å; S101-S104 WeakPolarHBondContact O-CA 3.45Å; S101-S104 WeakPolarHBondContact O-CB 3.39Å; S101-S104 PolarHBondContact O-N 2.85Å; S101-D105 PolarHBondContact O-N 2.98Å; S101-D105 PolarHBondContact OG-OD2 3.12Å
102I83.3Confident75.7Confident5 Ų563.1 Ų63.13%0.02634%0.344CS..Hα-helixtrans-60.3-30.1-177.8-61.1164.5000111.6L46 K47 V50 V98 D105 V106L46-I102 HydrophobicContact CD2-CD1 3.86Å; L46-I102 HydrophobicContact CD2-CG1 4.21Å; L46-I102 HydrophobicContact CG-CD1 3.81Å; K47-I102 HydrophobicContact CB-CG2 3.77Å; K47-I102 HydrophobicContact CD-CG2 4.4Å; K47-I102 HydrophobicContact CG-CG2 4.36Å; V50-I102 HydrophobicContact CB-CD1 4.44Å; V50-I102 HydrophobicContact CG2-CD1 4.01Å; V98-I102 HydrophobicContact CG1-CD1 3.69Å; V98-I102 HydrophobicContact CG1-CG1 4.38Å; V98-I102 VanDerWaalsContact O-CG1 3.32Å; V98-I102 WeakPolarHBondContact O-CG1 3.41Å; V98-I102 PolarHBondContact O-N 2.97Å; I102-D105 WeakPolarHBondContact CA-OD2 3.25Å; I102-D105 PolarHBondContact N-OD2 2.9Å; I102-V106 HydrophobicContact CG2-CG2 4.11Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.48Å; I102-V106 PolarHBondContact O-N 3.49Å
103N79.1Confident78.1Confident61 Ų6152.5 Ų52.533%0.32630%0.304SS..Hα-helixtrans-66.9-41.4172.6-74.7-16.9000112.6K47 I99 K100 S101 Q107K47-N103 WeakPolarHBondContact CE-OD1 3.29Å; K47-N103 PolarHBondContact NZ-OD1 3.16Å; I99-N103 WeakPolarHBondContact O-CB 3.29Å; I99-N103 PolarHBondContact O-N 3.43Å; I99-N103 PolarHBondContact O-ND2 2.86Å; I99-N103 PolarHBondContact O-OD1 3.26Å; K100-N103 PolarHBondContact O-N 2.84Å; S101-N103 PolarHBondContact O-N 3.01Å; S101-N103 VanDerWaalsContact O-N 3.11Å; N103-Q107 WeakPolarHBondContact O-CB 3.49Å; N103-Q107 PolarHBondContact O-N 2.86Å
104S79.5Confident79.3Confident61 Ų6152.9 Ų52.943%0.42729%0.294SS..Hα-helixtrans-63.8-50.8172.4-157.20000110.4K100 S101 V106 Q107 D108K100-S104 PolarHBondContact O-N 2.88Å; K100-S104 VanDerWaalsContact O-N 3.14Å; S101-S104 WeakPolarHBondContact O-CA 3.45Å; S101-S104 WeakPolarHBondContact O-CB 3.39Å; S101-S104 PolarHBondContact O-N 2.85Å; S104-V106 VanDerWaalsContact C-N 3.26Å; S104-V106 PolarHBondContact O-N 2.73Å; S104-Q107 WeakPolarHBondContact O-CA 3.22Å; S104-Q107 PolarHBondContact O-N 3.31Å; S104-D108 PolarHBondContact O-N 3.26Å; S104-D108 PolarHBondContact OG-OD2 2.94Å
105D85.3Confident79.9Confident64 Ų6450.6 Ų50.634%0.34228%0.278SS..Hα-helixtrans-56.7-40-179.5-52.4-40.2000111.5L43 S101 I102 L109L43-D105 HydrophobicContact CD1-CB 3.8Å; L43-D105 HydrophobicContact CD2-CB 4.18Å; S101-D105 PolarHBondContact O-N 2.98Å; S101-D105 PolarHBondContact OG-OD2 3.12Å; I102-D105 WeakPolarHBondContact CA-OD2 3.25Å; I102-D105 PolarHBondContact N-OD2 2.9Å; D105-L109 WeakPolarHBondContact O-CB 3.38Å; D105-L109 PolarHBondContact O-N 3.5Å; D105-L109 VanDerWaalsContact O-N 3.13Å
106V84.4Confident80.6Confident10 Ų1047.8 Ų47.86%0.06126%0.261CS..Hα-helixtrans-69.4-36.7174.6163.50000112.3L40 L43 Y44 I102 S104 A110L40-V106 HydrophobicContact CD1-CB 4.38Å; L40-V106 HydrophobicContact CD1-CG1 4.09Å; L40-V106 HydrophobicContact CD1-CG2 4.37Å; L43-V106 HydrophobicContact CB-CG2 3.65Å; L43-V106 HydrophobicContact CD1-CG2 4.23Å; Y44-V106 HydrophobicContact CE1-CG1 3.98Å; Y44-V106 HydrophobicContact CE2-CG1 4.24Å; I102-V106 HydrophobicContact CG2-CG2 4.11Å; I102-V106 WeakPolarHBondContact O-CB 3.48Å; I102-V106 WeakPolarHBondContact O-CG2 3.48Å; I102-V106 PolarHBondContact O-N 3.49Å; S104-V106 VanDerWaalsContact C-N 3.26Å; S104-V106 PolarHBondContact O-N 2.73Å; V106-A110 WeakPolarHBondContact O-CB 3.33Å; V106-A110 PolarHBondContact O-N 3.5Å
107Q77.9Confident81.3Confident88 Ų8848.1 Ų48.141%0.41126%0.256SS..Hα-helixtrans-73.7-49.5-179.5-179.2167.3-1700111.4N103 S104 L109 A110 E111N103-Q107 WeakPolarHBondContact O-CB 3.49Å; N103-Q107 PolarHBondContact O-N 2.86Å; S104-Q107 WeakPolarHBondContact O-CA 3.22Å; S104-Q107 PolarHBondContact O-N 3.31Å; Q107-L109 PolarHBondContact O-N 3.27Å; Q107-A110 PolarHBondContact O-N 2.88Å; Q107-E111 WeakPolarHBondContact O-CB 3.21Å; Q107-E111 PolarHBondContact O-N 3.28Å
108D81.6Confident81.3Confident58 Ų5848.4 Ų48.431%0.3125%0.253SS..Hα-helixtrans-58.8-46.9176.8-70.9-44.1000110.8S104 E111 D112S104-D108 PolarHBondContact O-N 3.26Å; S104-D108 PolarHBondContact OG-OD2 2.94Å; D108-E111 PolarHBondContact O-N 3.4Å; D108-D112 WeakPolarHBondContact O-CB 3.34Å; D108-D112 PolarHBondContact O-N 3.49Å
109L88.3Confident81.5Confident29 Ų2946.2 Ų46.215%0.15224%0.24CC..Hα-helixtrans-69.8-33.7179.2-173.360.1000112.9K36 D39 L40 L43 D105 Q107 I113K36-L109 HydrophobicContact CB-CD1 3.92Å; K36-L109 HydrophobicContact CD-CD1 4.46Å; K36-L109 HydrophobicContact CG-CD1 3.94Å; D39-L109 HydrophobicContact CB-CD2 3.93Å; L40-L109 HydrophobicContact CB-CD2 3.9Å; L40-L109 HydrophobicContact CB-CG 4.32Å; L40-L109 HydrophobicContact CD1-CB 4.39Å; L40-L109 HydrophobicContact CD1-CD2 4.36Å; L40-L109 HydrophobicContact CD1-CG 4.43Å; L43-L109 HydrophobicContact CD1-CD2 3.88Å; D105-L109 WeakPolarHBondContact O-CB 3.38Å; D105-L109 PolarHBondContact O-N 3.5Å; D105-L109 VanDerWaalsContact O-N 3.13Å; Q107-L109 PolarHBondContact O-N 3.27Å; L109-I113 HydrophobicContact CD1-CD1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.05Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.12Å; L109-I113 WeakPolarHBondContact O-CG1 3.32Å; L109-I113 PolarHBondContact O-N 2.94Å
110A81.5Confident81.6Confident21 Ų2146.4 Ų46.417%0.17424%0.241CC..Hα-helixtrans-70.7-31.1173.700000112.4L40 V106 Q107 R114L40-A110 HydrophobicContact CD1-CB 4.4Å; L40-A110 HydrophobicContact CD2-CB 4.38Å; V106-A110 WeakPolarHBondContact O-CB 3.33Å; V106-A110 PolarHBondContact O-N 3.5Å; Q107-A110 PolarHBondContact O-N 2.88Å; A110-R114 VanDerWaalsContact O-CG 3.32Å; A110-R114 WeakPolarHBondContact O-CG 3.35Å; A110-R114 PolarHBondContact O-N 2.79Å; A110-R114 VanDerWaalsContact O-N 3.15Å
111E79.1Confident81.4Confident28 Ų2843.6 Ų43.613%0.13123%0.233CC..Hα-helixtrans-68-48.4173.8-164.4144.8122.700111Q107 D108 I113 R114 D115Q107-E111 WeakPolarHBondContact O-CB 3.21Å; Q107-E111 PolarHBondContact O-N 3.28Å; D108-E111 PolarHBondContact O-N 3.4Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.3Å; E111-R114 PolarHBondContact O-N 3.4Å; E111-R114 VanDerWaalsContact O-N 3.16Å; E111-R114 IonicContact OE2-NH2 2.59Å; E111-R114 PolarHBondContact OE2-NH2 3.39Å; E111-D115 PolarHBondContact O-N 2.87Å
112D87.1Confident81Confident26 Ų2642.4 Ų42.414%0.13922%0.222CC..Hα-helixtrans-62.4-36.7176.5-170.954.5000113.2Y14 K36 D108 D115 L116Y14-D112 PolarHBondContact OH-OD1 2.96Å; Y14-D112 VanDerWaalsContact OH-OD1 3.06Å; K36-D112 WeakPolarHBondContact CD-OD2 3.28Å; K36-D112 WeakPolarHBondContact CE-OD2 3.43Å; K36-D112 IonicContact NZ-OD2 2.71Å; K36-D112 PolarHBondContact NZ-OD2 2.89Å; D108-D112 WeakPolarHBondContact O-CB 3.34Å; D108-D112 PolarHBondContact O-N 3.49Å; D112-D115 PolarHBondContact O-N 3.03Å; D112-L116 WeakPolarHBondContact O-CB 3.4Å; D112-L116 PolarHBondContact O-N 3.33Å
113I85.9Confident80.7Confident11 Ų1142.6 Ų42.66%0.05622%0.222CC..Hα-helixtrans-63.1-46.4171.5-76.5162.9000111.5L33 K36 R37 L40 L109 E111 D115 L116 E117L33-I113 HydrophobicContact CD1-CB 4.49Å; L33-I113 HydrophobicContact CD1-CG1 4.45Å; L33-I113 HydrophobicContact CD1-CG2 3.95Å; K36-I113 HydrophobicContact CB-CD1 4.08Å; K36-I113 HydrophobicContact CB-CG1 3.75Å; R37-I113 HydrophobicContact CG-CD1 4.32Å; R37-I113 HydrophobicContact CG-CG2 4.31Å; L40-I113 HydrophobicContact CB-CD1 3.85Å; L40-I113 HydrophobicContact CD2-CD1 3.73Å; L40-I113 HydrophobicContact CG-CD1 4.33Å; L109-I113 HydrophobicContact CD1-CD1 4.44Å; L109-I113 HydrophobicContact CG-CD1 4.05Å; L109-I113 WeakPolarHBondContact O-CB 3.44Å; L109-I113 WeakPolarHBondContact O-CD1 3.12Å; L109-I113 WeakPolarHBondContact O-CG1 3.32Å; L109-I113 PolarHBondContact O-N 2.94Å; E111-I113 VanDerWaalsContact C-N 3.35Å; E111-I113 PolarHBondContact O-N 3.3Å; I113-D115 VanDerWaalsContact C-N 3.33Å; I113-D115 PolarHBondContact O-N 3.07Å; I113-L116 PolarHBondContact O-N 3.01Å; I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CB 3.39Å; I113-E117 VanDerWaalsContact O-CG 3.29Å; I113-E117 WeakPolarHBondContact O-CG 3.19Å; I113-E117 PolarHBondContact O-N 2.81Å
114R77.4Confident80.1Confident113 Ų11347.4 Ų47.443%0.42624%0.241SC..Hα-helixtrans-62.6-41177.8-72-179.6-48.6-126.32.9111.6A110 E111 E117 T118A110-R114 VanDerWaalsContact O-CG 3.32Å; A110-R114 WeakPolarHBondContact O-CG 3.35Å; A110-R114 PolarHBondContact O-N 2.79Å; A110-R114 VanDerWaalsContact O-N 3.15Å; E111-R114 PolarHBondContact O-N 3.4Å; E111-R114 VanDerWaalsContact O-N 3.16Å; E111-R114 IonicContact OE2-NH2 2.59Å; E111-R114 PolarHBondContact OE2-NH2 3.39Å; R114-E117 PolarHBondContact O-N 2.78Å; R114-T118 WeakPolarHBondContact O-CB 3.28Å; R114-T118 PolarHBondContact O-N 2.74Å; R114-T118 PolarHBondContact O-OG1 3.21Å
115D79.4Confident78.9Confident37 Ų3751.3 Ų51.320%0.19825%0.252CS..Hα-helixtrans-64.5-44.6178.3-76.4-3.7000111E111 D112 I113 T118 S119 R1011E111-D115 PolarHBondContact O-N 2.87Å; D112-D115 PolarHBondContact O-N 3.03Å; I113-D115 VanDerWaalsContact C-N 3.33Å; I113-D115 PolarHBondContact O-N 3.07Å; D115-T118 WeakPolarHBondContact O-CB 3.14Å; D115-T118 PolarHBondContact O-N 2.91Å; D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 3.44Å; D115-S119 PolarHBondContact O-OG 3.15Å; D115-S119 VanDerWaalsContact O-OG 3.11Å; D115-R1011 IonicContact OD2-CZ 3.82Å; D115-R1011 IonicContact OD2-NE 2.89Å; D115-R1011 PolarHBondContact OD2-NE 3.17Å; D115-R1011 IonicContact OD2-NH2 3.43Å; D115-R1011 PolarHBondContact OD2-NH2 3.01Å
116L86.8Confident76.9Confident0 Ų051.2 Ų51.20%026%0.255CS..Hα-helixtrans-67.1-40.3176.4-178.849.9000112.9L10 Y14 L29 V32 L33 K36 D112 I113 T118 S119 L120L10-L116 HydrophobicContact CD2-CD1 4.41Å; Y14-L116 HydrophobicContact CD2-CD1 4.12Å; Y14-L116 HydrophobicContact CE1-CD2 4.33Å; Y14-L116 HydrophobicContact CE2-CB 4.32Å; Y14-L116 HydrophobicContact CE2-CD1 3.7Å; Y14-L116 HydrophobicContact CE2-CD2 4.26Å; Y14-L116 HydrophobicContact CE2-CG 4.3Å; L29-L116 HydrophobicContact CB-CD1 4.33Å; L29-L116 HydrophobicContact CD2-CD1 3.89Å; V32-L116 HydrophobicContact CB-CD2 4.37Å; V32-L116 HydrophobicContact CG1-CD2 3.88Å; L33-L116 HydrophobicContact CB-CD2 3.7Å; L33-L116 HydrophobicContact CB-CG 4.03Å; L33-L116 HydrophobicContact CD1-CD2 4.44Å; L33-L116 HydrophobicContact CD1-CG 4.41Å; K36-L116 HydrophobicContact CD-CD2 4.33Å; D112-L116 WeakPolarHBondContact O-CB 3.4Å; D112-L116 PolarHBondContact O-N 3.33Å; I113-L116 PolarHBondContact O-N 3.01Å; L116-T118 VanDerWaalsContact C-N 3.34Å; L116-S119 PolarHBondContact O-N 3.09Å; L116-L120 HydrophobicContact CD1-CD1 3.93Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 3.02Å
117E83.6Confident74.5Confident70 Ų7058.7 Ų58.733%0.32729%0.29SS..Hα-helixtrans-60.3-43.9172.3-76.3175.7172.900111.6L33 R37 I113 R114 L120 L121L33-E117 HydrophobicContact CD1-CG 3.66Å; L33-E117 HydrophobicContact CD2-CG 3.68Å; L33-E117 HydrophobicContact CG-CG 4.33Å; R37-E117 IonicContact CZ-OE1 3.41Å; R37-E117 VanDerWaalsContact CZ-OE1 3.23Å; R37-E117 IonicContact NE-OE1 3.48Å; R37-E117 PolarHBondContact NE-OE1 3.27Å; R37-E117 IonicContact NH2-OE1 3.18Å; R37-E117 PolarHBondContact NH2-OE1 3.22Å; I113-E117 HydrophobicContact CG2-CG 4.39Å; I113-E117 WeakPolarHBondContact O-CB 3.39Å; I113-E117 VanDerWaalsContact O-CG 3.29Å; I113-E117 WeakPolarHBondContact O-CG 3.19Å; I113-E117 PolarHBondContact O-N 2.81Å; R114-E117 PolarHBondContact O-N 2.78Å; E117-L120 PolarHBondContact O-N 2.91Å; E117-L121 WeakPolarHBondContact O-CB 3.09Å; E117-L121 PolarHBondContact O-N 3.39Å
118T73.3Confident72.1Confident51 Ų5159.9 Ų59.931%0.31331%0.305SS..Hα-helixtrans-62-46.2177.3-630000111.2R114 D115 L116 L121 L122 M1000 L1004R114-T118 WeakPolarHBondContact O-CB 3.28Å; R114-T118 PolarHBondContact O-N 2.74Å; R114-T118 PolarHBondContact O-OG1 3.21Å; D115-T118 WeakPolarHBondContact O-CB 3.14Å; D115-T118 PolarHBondContact O-N 2.91Å; L116-T118 VanDerWaalsContact C-N 3.34Å; T118-L121 PolarHBondContact O-N 3.02Å; T118-L122 PolarHBondContact O-N 3.41Å; T118-L122 VanDerWaalsContact O-N 3.17Å; T118-M1000 HydrophobicContact CG2-CE 3.45Å; T118-M1000 VanDerWaalsContact CG2-CE 3.45Å; T118-L1004 HydrophobicContact CG2-CD2 4.29Å
119S81.6Confident69.7Low4 Ų462.5 Ų62.53%0.02833%0.328CS..Hα-helixtrans-67.7-36.3176.7-64.20000113.2Y6 L10 D115 L116 L122 L123Y6-S119 PolarHBondContact OH-OG 3.13Å; L10-S119 VanDerWaalsContact CD2-CB 3.44Å; D115-S119 WeakPolarHBondContact O-CB 3.39Å; D115-S119 PolarHBondContact O-N 3.44Å; D115-S119 PolarHBondContact O-OG 3.15Å; D115-S119 VanDerWaalsContact O-OG 3.11Å; L116-S119 PolarHBondContact O-N 3.09Å; S119-L122 VanDerWaalsContact O-CB 3.32Å; S119-L122 WeakPolarHBondContact O-CB 3.32Å; S119-L122 PolarHBondContact O-N 3.03Å; S119-L123 VanDerWaalsContact O-CG 3.25Å; S119-L123 WeakPolarHBondContact O-CG 3.47Å; S119-L123 PolarHBondContact O-N 3.3Å; S119-L123 VanDerWaalsContact O-N 3.13Å
120L81.1Confident66.7Low21 Ų2170.1 Ų70.111%0.1136%0.36CS..Hα-helixtrans-70.1-33173.7-82.6166000112.5I26 L29 K30 L33 L116 E117 L123 K124I26-L120 HydrophobicContact CG2-CD2 4.17Å; L29-L120 HydrophobicContact CB-CD1 4.36Å; L29-L120 HydrophobicContact CB-CD2 3.83Å; L29-L120 HydrophobicContact CB-CG 4.33Å; K30-L120 HydrophobicContact CG-CD1 4.47Å; K30-L120 HydrophobicContact CG-CD2 4.5Å; L33-L120 HydrophobicContact CB-CD1 4.26Å; L33-L120 HydrophobicContact CD2-CD1 3.74Å; L116-L120 HydrophobicContact CD1-CD1 3.93Å; L116-L120 HydrophobicContact CD1-CG 4.16Å; L116-L120 HydrophobicContact CG-CD1 4.11Å; L116-L120 WeakPolarHBondContact O-CB 3.4Å; L116-L120 WeakPolarHBondContact O-CG 3.38Å; L116-L120 PolarHBondContact O-N 3.02Å; E117-L120 PolarHBondContact O-N 2.91Å; L120-L123 PolarHBondContact O-N 3.29Å; L120-K124 WeakPolarHBondContact O-CB 3.2Å; L120-K124 PolarHBondContact O-N 2.99Å
121L73.9Confident64.1Low95 Ų9576 Ų7650%0.49739%0.389SS..Hα-helixtrans-64.5-42174.8-165.877.1000111.6E117 T118 K124 H125E117-L121 WeakPolarHBondContact O-CB 3.09Å; E117-L121 PolarHBondContact O-N 3.39Å; T118-L121 PolarHBondContact O-N 3.02Å; L121-K124 PolarHBondContact O-N 3.48Å; L121-H125 PolarHBondContact O-N 3.47Å; L121-H125 PolarHBondContact O-ND1 2.9Å
122L70.5Confident61.8Low38 Ų3883.9 Ų83.920%0.19943%0.425CS..Hα-helixtrans-55.1-52170.3-98151.4000111.6Y6 T118 S119 K124 H125 M1000 L1004Y6-L122 HydrophobicContact CE1-CD1 4.31Å; T118-L122 PolarHBondContact O-N 3.41Å; T118-L122 VanDerWaalsContact O-N 3.17Å; S119-L122 VanDerWaalsContact O-CB 3.32Å; S119-L122 WeakPolarHBondContact O-CB 3.32Å; S119-L122 PolarHBondContact O-N 3.03Å; L122-K124 PolarHBondContact O-N 2.96Å; L122-H125 PolarHBondContact O-N 2.68Å; L122-M1000 HydrophobicContact CD1-CE 3.78Å; L122-M1000 HydrophobicContact CD1-CG 3.79Å; L122-M1000 HydrophobicContact CD2-CB 4.47Å; L122-M1000 HydrophobicContact CD2-CG 3.8Å; L122-M1000 HydrophobicContact CG-CE 3.9Å; L122-M1000 HydrophobicContact CG-CG 3.83Å; L122-L1004 HydrophobicContact CD1-CD1 3.59Å; L122-L1004 HydrophobicContact CD1-CD2 4.07Å; L122-L1004 HydrophobicContact CD1-CG 4.16Å
123L77.1Confident58.9Low8 Ų891.3 Ų91.34%0.04246%0.459CS..Hα-helixtrans-71-17.1-176.3-67.3169.8000113.7H3 Y6 A7 L10 Y22 I26 L29 S119 L120H3-L123 HydrophobicContact CB-CD2 4.19Å; H3-L123 WeakPolarHBondContact O-CD2 3.39Å; Y6-L123 HydrophobicContact CD1-CD1 4.42Å; Y6-L123 HydrophobicContact CD1-CD2 3.88Å; Y6-L123 HydrophobicContact CD1-CG 4.18Å; Y6-L123 HydrophobicContact CE1-CG 4.46Å; A7-L123 HydrophobicContact CB-CD1 4.01Å; A7-L123 HydrophobicContact CB-CD2 3.87Å; L10-L123 HydrophobicContact CD2-CD1 3.8Å; Y22-L123 HydrophobicContact CE2-CD2 4.2Å; Y22-L123 PolarHBondContact OH-O 2.99Å; I26-L123 HydrophobicContact CD1-CB 3.62Å; I26-L123 HydrophobicContact CD1-CD1 3.57Å; I26-L123 HydrophobicContact CD1-CD2 4.47Å; I26-L123 HydrophobicContact CD1-CG 4.06Å; L29-L123 HydrophobicContact CD1-CD1 4.28Å; S119-L123 VanDerWaalsContact O-CG 3.25Å; S119-L123 WeakPolarHBondContact O-CG 3.47Å; S119-L123 PolarHBondContact O-N 3.3Å; S119-L123 VanDerWaalsContact O-N 3.13Å; L120-L123 PolarHBondContact O-N 3.29Å
124K67.7Low56.1Low163 Ų16396.6 Ų96.671%0.70950%0.497SS*.Hα-helixtrans-86.8-30.1178-171.8177.9178.8-175.10114.1L120 L121 L122 C126L120-K124 WeakPolarHBondContact O-CB 3.2Å; L120-K124 PolarHBondContact O-N 2.99Å; L121-K124 PolarHBondContact O-N 3.48Å; L122-K124 PolarHBondContact O-N 2.96Å; K124-C126 PolarHBondContact O-N 3.16Å
125H52.9Low53.8Low143 Ų14395.1 Ų95.166%0.66251%0.509SS*.THydrogen-bonded Turntrans-77.53.4-171-86.287.4000115.6L121 L122L121-H125 PolarHBondContact O-N 3.47Å; L121-H125 PolarHBondContact O-ND1 2.9Å; L122-H125 PolarHBondContact O-N 2.68Å
126C43.8Very low51.4Low61 Ų61100 Ų10041%0.41254%0.54SS..THydrogen-bonded Turntrans-113.631.8-171.5-58.40000113.7H3 K124 P128H3-C126 PolarHBondContact CE1-SG 3.36Å; H3-C126 PolarHBondContact NE2-SG 3.38Å; H3-C126 VanDerWaalsContact NE2-SG 3.4Å; K124-C126 PolarHBondContact O-N 3.16Å; C126-P128 WeakPolarHBondContact O-CD 3.47Å
127Q33.4Very low48.6Very low168 Ų168107.2 Ų107.279%0.78558%0.577SS**  trans-89.4108163.3-77.9-83.5-56.900108.9S129Q127-S129 PolarHBondContact O-N 3.35Å; Q127-S129 VanDerWaalsContact O-N 3.15Å
128P29.1Very low46.1Very low112 Ų112113 Ų11373%0.72760%0.601SS**  trans-80.796.4-17931.9-33.5000110.9C126 F130C126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-F130 PolarHBondContact O-N 3.33Å
129S29.4Very low44Very low114 Ų114114.8 Ų114.880%0.79762%0.616SS**  trans-69110.4165.954.30000109.9Q127 D131Q127-S129 PolarHBondContact O-N 3.35Å; Q127-S129 VanDerWaalsContact O-N 3.15Å; S129-D131 PolarHBondContact O-N 3.06Å
130F25.3Very low41.5Very low188 Ų188119.9 Ų119.983%0.82565%0.647SS**  trans-54.5128.8162.5-91.5-121.7000109.5P128P128-F130 PolarHBondContact O-N 3.33Å
131D27.7Very low39.4Very low145 Ų145123.7 Ų123.778%0.77567%0.667SS**  178.7169.1110.7-99.3-24.2000113.6S129S129-D131 PolarHBondContact O-N 3.06Å
132Q30.4Very low37.7Very low193 Ų193124.6 Ų124.690%0.90266%0.664SS**  trans69.186.3170.6-65.1179.818.400117.3
133Q25.8Very low36.4Very low182 Ų182123.7 Ų123.785%0.8566%0.664SS**  trans-75.5173.1157.8-60.2172.3-10.700111.6
134S27.3Very low35Very low122 Ų122127.1 Ų127.185%0.85368%0.682SS**  trans78148.416587.70000116.5
135A29.7Very low34.7Very low83 Ų83123 Ų12369%0.68667%0.674SS**  cis-156.3146.6-0.600000114.9
136V29.2Very low35.4Very low140 Ų140118.6 Ų118.685%0.84866%0.655SS**  trans71.6137.5141.3178.10000120.9
137I27.3Very low36.7Very low151 Ų151119.9 Ų119.977%0.77466%0.655SS**  trans-91.9149.3-177.8-63.5150.3000111.6
138K31.9Very low38.6Very low191 Ų191117.5 Ų117.583%0.8364%0.644SS**  trans-170.7117.6140-104.2153.6-171.1-178.50115.7
139S29.1Very low40.7Very low89 Ų89119 Ų11962%0.62264%0.635SS**  trans17.1110.9141.158.90000119.8
140T29.7Very low43.2Very low110 Ų110115.4 Ų115.468%0.67561%0.606SS**  98.5116.284.657.40000115.5
141N37.2Very low45.8Very low101 Ų101109.6 Ų109.654%0.5459%0.587SS.*  -162.3167.3126.8-94-20.9000111.7G143 D144 Y694N141-G143 PolarHBondContact O-N 2.9Å; N141-G143 VanDerWaalsContact O-N 3.09Å; N141-D144 PolarHBondContact N-OD2 3.39Å; N141-D144 VanDerWaalsContact O-CB 3.32Å; N141-D144 WeakPolarHBondContact O-CB 3.44Å; N141-D144 PolarHBondContact O-N 3.43Å; N141-Y694 PolarHBondContact OD1-OH 3.11Å
142R36.8Very low48.3Very low115 Ų115107.1 Ų107.143%0.43457%0.57SS.*Hα-helixtrans-58.4-29.2-170.5-76.4-178.2162.9-156.1-6.1114.3D144 S145 D693 Y694 S696R142-D144 VanDerWaalsContact C-N 3.25Å; R142-D144 PolarHBondContact O-N 2.89Å; R142-S145 WeakPolarHBondContact O-CB 3.31Å; R142-S145 PolarHBondContact O-N 3.09Å; R142-D693 WeakPolarHBondContact CB-OD1 3.46Å; R142-Y694 HydrophobicContact CG-CD1 4.31Å; R142-Y694 HydrophobicContact CG-CE1 4.05Å; R142-S696 PolarHBondContact NH2-OG 2.81Å
143G42.6Very low50.7Low18 Ų1899 Ų9919%0.18653%0.533CS..Hα-helixtrans-55.7-38.8174.900000113.1N141 S145 I146 R690N141-G143 PolarHBondContact O-N 2.9Å; N141-G143 VanDerWaalsContact O-N 3.09Å; G143-S145 PolarHBondContact O-N 3.09Å; G143-I146 PolarHBondContact O-N 3.27Å; G143-I146 VanDerWaalsContact O-N 3.09Å; G143-R690 VanDerWaalsContact C-NH2 3.29Å; G143-R690 PolarHBondContact O-NH2 2.93Å
144D49Very low53.5Low80 Ų8093.9 Ų93.943%0.42851%0.509SS..Hα-helixtrans-55.7-37.4-178.1-59.4-25.5000111.8N141 R142 I146 E147 Q148N141-D144 PolarHBondContact N-OD2 3.39Å; N141-D144 VanDerWaalsContact O-CB 3.32Å; N141-D144 WeakPolarHBondContact O-CB 3.44Å; N141-D144 PolarHBondContact O-N 3.43Å; R142-D144 VanDerWaalsContact C-N 3.25Å; R142-D144 PolarHBondContact O-N 2.89Å; D144-I146 PolarHBondContact O-N 2.73Å; D144-E147 PolarHBondContact O-N 3.42Å; D144-E147 VanDerWaalsContact O-N 3.17Å; D144-Q148 WeakPolarHBondContact O-CB 3.35Å; D144-Q148 PolarHBondContact O-N 3.09Å
145S61.2Low56.3Low78 Ų7894.2 Ų94.255%0.54550%0.495SS..Hα-helixtrans-56-36.5179.9-170.60000112.7R142 G143 R149R142-S145 WeakPolarHBondContact O-CB 3.31Å; R142-S145 PolarHBondContact O-N 3.09Å; G143-S145 PolarHBondContact O-N 3.09Å; S145-R149 WeakPolarHBondContact O-CB 3.2Å; S145-R149 PolarHBondContact O-N 2.93Å
146I67Low58.6Low50 Ų5091.8 Ų91.826%0.25648%0.475SS..Hα-helixtrans-75.2-39.8179.7-64.9-178.8000111.6G143 D144 R149 L150 V206 N210G143-I146 PolarHBondContact O-N 3.27Å; G143-I146 VanDerWaalsContact O-N 3.09Å; D144-I146 PolarHBondContact O-N 2.73Å; I146-R149 PolarHBondContact O-N 3.27Å; I146-L150 HydrophobicContact CG2-CD1 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.37Å; I146-L150 WeakPolarHBondContact O-CG 2.96Å; I146-L150 PolarHBondContact O-N 2.87Å; I146-V206 HydrophobicContact CG2-CG1 3.93Å; I146-N210 HydrophobicContact CG2-CB 4.28Å
147E71.5Confident61.2Low88 Ų8885.9 Ų85.941%0.41144%0.439SS..Hα-helixtrans-71-37.9173.1-96.6177.216100112D144 R149 L150 T151 R690D144-E147 PolarHBondContact O-N 3.42Å; D144-E147 VanDerWaalsContact O-N 3.17Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.47Å; E147-L150 PolarHBondContact O-N 3Å; E147-T151 WeakPolarHBondContact O-CB 3.49Å; E147-T151 PolarHBondContact O-N 3.11Å; E147-T151 PolarHBondContact O-OG1 3.46Å; E147-R690 VanDerWaalsContact CD-NH2 3.3Å; E147-R690 IonicContact OE1-CZ 2.87Å; E147-R690 IonicContact OE1-NH1 2.63Å; E147-R690 PolarHBondContact OE1-NH1 3.43Å; E147-R690 IonicContact OE2-CZ 3.48Å; E147-R690 IonicContact OE2-NH1 2.62Å; E147-R690 PolarHBondContact OE2-NH1 2.97Å; E147-R690 IonicContact OE2-NH2 3.66Å; E147-R690 PolarHBondContact OE2-NH2 2.95Å
148Q73.4Confident63.9Low118 Ų11882.1 Ų82.155%0.55142%0.42SS*.Hα-helixtrans-58.9-47.3173.7-177.7177.1-20.600109.2D144 L150 T151 E152D144-Q148 WeakPolarHBondContact O-CB 3.35Å; D144-Q148 PolarHBondContact O-N 3.09Å; Q148-L150 PolarHBondContact O-N 3.44Å; Q148-T151 PolarHBondContact O-N 3.2Å; Q148-E152 HydrophobicContact CG-CG 4.41Å; Q148-E152 VanDerWaalsContact CG-OE1 3.29Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.12Å; Q148-E152 PolarHBondContact NE2-OE1 3.21Å; Q148-E152 WeakPolarHBondContact O-CB 3.11Å; Q148-E152 VanDerWaalsContact O-CG 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.24Å; Q148-E152 PolarHBondContact O-N 3.19Å
149R73.9Confident66.3Low144 Ų14477.5 Ų77.554%0.54340%0.404SS..Hα-helixtrans-61.7-42.2175.5-162.768.1164.9-120.6-3.8112.9S145 I146 E147 T151 L153 V206S145-R149 WeakPolarHBondContact O-CB 3.2Å; S145-R149 PolarHBondContact O-N 2.93Å; I146-R149 PolarHBondContact O-N 3.27Å; E147-R149 VanDerWaalsContact C-N 3.3Å; E147-R149 PolarHBondContact O-N 3.47Å; R149-T151 VanDerWaalsContact C-N 3.35Å; R149-L153 HydrophobicContact CG-CD1 4.41Å; R149-L153 WeakPolarHBondContact O-CB 3.16Å; R149-L153 WeakPolarHBondContact O-CG 3.49Å; R149-L153 PolarHBondContact O-N 2.88Å; R149-V206 HydrophobicContact CB-CG1 4.47Å; R149-V206 HydrophobicContact CG-CG1 4.45Å; R149-V206 HydrophobicContact CG-CG2 4.2Å
150L80.5Confident68.8Low37 Ų3774.8 Ų74.819%0.19438%0.381CS..Hα-helixtrans-67.6-33.7174.9-74.8172.4000112.5I146 E147 Q148 Q154 M203 V206 K207I146-L150 HydrophobicContact CG2-CD1 4.26Å; I146-L150 WeakPolarHBondContact O-CB 3.37Å; I146-L150 WeakPolarHBondContact O-CG 2.96Å; I146-L150 PolarHBondContact O-N 2.87Å; E147-L150 PolarHBondContact O-N 3Å; Q148-L150 PolarHBondContact O-N 3.44Å; L150-Q154 VanDerWaalsContact O-CB 3.26Å; L150-Q154 WeakPolarHBondContact O-CB 3.42Å; L150-Q154 PolarHBondContact O-N 3.41Å; L150-M203 HydrophobicContact CD2-CB 4.5Å; L150-V206 HydrophobicContact CD1-CG1 4.37Å; L150-V206 HydrophobicContact CD2-CB 3.94Å; L150-V206 HydrophobicContact CD2-CG1 3.69Å; L150-V206 HydrophobicContact CG-CB 4.46Å; L150-V206 HydrophobicContact CG-CG1 3.66Å; L150-K207 HydrophobicContact CD2-CG 4.31Å
151T81.1Confident71.5Confident67 Ų6772.3 Ų72.341%0.41136%0.364SS..Hα-helixtrans-74.5-38.3177.9-60.10000111.1E147 Q148 R149 Q154 K155E147-T151 WeakPolarHBondContact O-CB 3.49Å; E147-T151 PolarHBondContact O-N 3.11Å; E147-T151 PolarHBondContact O-OG1 3.46Å; Q148-T151 PolarHBondContact O-N 3.2Å; R149-T151 VanDerWaalsContact C-N 3.35Å; T151-Q154 PolarHBondContact O-N 2.91Å; T151-K155 HydrophobicContact CG2-CD 4.32Å; T151-K155 WeakPolarHBondContact O-CB 3.32Å; T151-K155 VanDerWaalsContact O-CG 3.22Å; T151-K155 WeakPolarHBondContact O-CG 3.03Å; T151-K155 PolarHBondContact O-N 3.4Å
152E79Confident73.9Confident92 Ų9274.2 Ų74.243%0.4337%0.369SS..Hα-helixtrans-64-45.4170.6-73.9166.5-179.700110.9Q148 K155 A156Q148-E152 HydrophobicContact CG-CG 4.41Å; Q148-E152 VanDerWaalsContact CG-OE1 3.29Å; Q148-E152 WeakPolarHBondContact CG-OE1 3.12Å; Q148-E152 PolarHBondContact NE2-OE1 3.21Å; Q148-E152 WeakPolarHBondContact O-CB 3.11Å; Q148-E152 VanDerWaalsContact O-CG 3.24Å; Q148-E152 WeakPolarHBondContact O-CG 3.24Å; Q148-E152 PolarHBondContact O-N 3.19Å; E152-K155 PolarHBondContact O-N 3.49Å; E152-A156 WeakPolarHBondContact O-CB 3.46Å; E152-A156 PolarHBondContact O-N 3.43Å
153L81Confident76.2Confident23 Ų2371.5 Ų71.512%0.1237%0.365CS..Hα-helixtrans-64.7-39.4174.2-73168.6000112.4R149 A156 L157 I199 Q202 M203 V206R149-L153 HydrophobicContact CG-CD1 4.41Å; R149-L153 WeakPolarHBondContact O-CB 3.16Å; R149-L153 WeakPolarHBondContact O-CG 3.49Å; R149-L153 PolarHBondContact O-N 2.88Å; L153-A156 PolarHBondContact O-N 3.06Å; L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.92Å; L153-I199 HydrophobicContact CB-CG2 4.35Å; L153-I199 HydrophobicContact CD2-CG2 4.18Å; L153-I199 VanDerWaalsContact O-CG2 3.28Å; L153-I199 WeakPolarHBondContact O-CG2 3.39Å; L153-Q202 HydrophobicContact CD1-CB 4.11Å; L153-Q202 HydrophobicContact CD2-CB 3.84Å; L153-M203 HydrophobicContact CB-CG 3.63Å; L153-M203 HydrophobicContact CB-SD 4.35Å; L153-M203 HydrophobicContact CD1-CG 4.02Å; L153-M203 HydrophobicContact CG-CG 4.37Å; L153-V206 HydrophobicContact CD1-CB 4.46Å; L153-V206 HydrophobicContact CD1-CG2 3.99Å
154Q85.5Confident78.4Confident74 Ų7474.1 Ų74.135%0.34637%0.37SS..Hα-helixtrans-65.8-44.6175.3-176.463.362.600111.3L150 T151 A156 L157 D158 M203L150-Q154 VanDerWaalsContact O-CB 3.26Å; L150-Q154 WeakPolarHBondContact O-CB 3.42Å; L150-Q154 PolarHBondContact O-N 3.41Å; T151-Q154 PolarHBondContact O-N 2.91Å; Q154-A156 VanDerWaalsContact C-N 3.31Å; Q154-A156 PolarHBondContact O-N 2.97Å; Q154-L157 WeakPolarHBondContact O-CB 3.41Å; Q154-L157 PolarHBondContact O-N 3.45Å; Q154-L157 VanDerWaalsContact O-N 3.16Å; Q154-D158 PolarHBondContact NE2-OD1 3.5Å; Q154-D158 PolarHBondContact NE2-OD2 3.43Å; Q154-D158 PolarHBondContact O-N 3.26Å; Q154-M203 HydrophobicContact CB-CE 4.29Å
155K85.5Confident80.2Confident129 Ų12972 Ų7256%0.56136%0.361SS*.Hα-helixtrans-58.5-42.8173.3-75.5168.2179.7175.90111.5T151 E152 D158 I159T151-K155 HydrophobicContact CG2-CD 4.32Å; T151-K155 WeakPolarHBondContact O-CB 3.32Å; T151-K155 VanDerWaalsContact O-CG 3.22Å; T151-K155 WeakPolarHBondContact O-CG 3.03Å; T151-K155 PolarHBondContact O-N 3.4Å; E152-K155 PolarHBondContact O-N 3.49Å; K155-D158 PolarHBondContact O-N 3.35Å; K155-I159 WeakPolarHBondContact O-CD1 3.5Å; K155-I159 VanDerWaalsContact O-CG1 3.25Å; K155-I159 WeakPolarHBondContact O-CG1 3.22Å; K155-I159 PolarHBondContact O-N 2.94Å
156A78.2Confident81.3Confident33 Ų3369.4 Ų69.427%0.27335%0.347SS..Hα-helixtrans-64.5-40.817500000112.3E152 L153 Q154 I159 E160 I199E152-A156 WeakPolarHBondContact O-CB 3.46Å; E152-A156 PolarHBondContact O-N 3.43Å; L153-A156 PolarHBondContact O-N 3.06Å; Q154-A156 VanDerWaalsContact C-N 3.31Å; Q154-A156 PolarHBondContact O-N 2.97Å; A156-I159 PolarHBondContact O-N 3.41Å; A156-E160 WeakPolarHBondContact O-CG 3.23Å; A156-E160 PolarHBondContact O-N 2.96Å; A156-I199 HydrophobicContact CB-CD1 3.97Å
157L83.2Confident82.2Confident16 Ų1667.1 Ų67.18%0.08434%0.335CS..Hα-helixtrans-62.2-44.6175.6-178.758.8000111.4L153 Q154 E160 L161 I196 I199 R200 M203L153-L157 WeakPolarHBondContact O-CB 3.41Å; L153-L157 PolarHBondContact O-N 2.92Å; Q154-L157 WeakPolarHBondContact O-CB 3.41Å; Q154-L157 PolarHBondContact O-N 3.45Å; Q154-L157 VanDerWaalsContact O-N 3.16Å; L157-E160 PolarHBondContact O-N 2.95Å; L157-L161 HydrophobicContact CD1-CD1 4.19Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 3.95Å; L157-L161 WeakPolarHBondContact O-CB 3.34Å; L157-L161 VanDerWaalsContact O-CG 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.7Å; L157-I196 HydrophobicContact CD1-CB 4.4Å; L157-I196 HydrophobicContact CD1-CG1 4.23Å; L157-I196 HydrophobicContact CD1-CG2 3.98Å; L157-I199 HydrophobicContact CB-CG2 3.81Å; L157-I199 HydrophobicContact CD1-CG2 4.49Å; L157-R200 HydrophobicContact CD1-CG 4.37Å; L157-M203 HydrophobicContact CD2-SD 3.85Å
158D84.8Confident83.1Confident71 Ų7164.7 Ų64.738%0.3832%0.324SS..Hα-helixtrans-65.1-38.6179.4-65.4-24.2000111.6Q154 K155 Q162Q154-D158 PolarHBondContact NE2-OD1 3.5Å; Q154-D158 PolarHBondContact NE2-OD2 3.43Å; Q154-D158 PolarHBondContact O-N 3.26Å; K155-D158 PolarHBondContact O-N 3.35Å; D158-Q162 WeakPolarHBondContact O-CG 3.5Å; D158-Q162 PolarHBondContact O-N 3.31Å
159I81.4Confident83.8Confident95 Ų9566.5 Ų66.549%0.48733%0.325SS..Hα-helixtrans-63.2-51173.6-70.4163.6000111.1K155 A156 L161 Q162 V163K155-I159 WeakPolarHBondContact O-CD1 3.5Å; K155-I159 VanDerWaalsContact O-CG1 3.25Å; K155-I159 WeakPolarHBondContact O-CG1 3.22Å; K155-I159 PolarHBondContact O-N 2.94Å; A156-I159 PolarHBondContact O-N 3.41Å; I159-L161 VanDerWaalsContact C-N 3.31Å; I159-L161 PolarHBondContact O-N 3.11Å; I159-Q162 WeakPolarHBondContact O-CB 3.44Å; I159-Q162 PolarHBondContact O-N 2.83Å; I159-Q162 VanDerWaalsContact O-N 3.09Å; I159-V163 WeakPolarHBondContact O-CG2 3.44Å; I159-V163 PolarHBondContact O-N 3.42Å
160E82.6Confident84.3Confident31 Ų3162.9 Ų62.915%0.14532%0.317CS..Hα-helixtrans-70.6-27.4-177.8-62.1-64168.900112.3A156 L157 V163 R164 K195 I196 I199A156-E160 WeakPolarHBondContact O-CG 3.23Å; A156-E160 PolarHBondContact O-N 2.96Å; L157-E160 PolarHBondContact O-N 2.95Å; E160-V163 PolarHBondContact O-N 3.3Å; E160-R164 WeakPolarHBondContact O-CB 3.5Å; E160-R164 PolarHBondContact O-N 3.04Å; E160-K195 HydrophobicContact CG-CB 4.13Å; E160-K195 HydrophobicContact CG-CD 3.86Å; E160-K195 VanDerWaalsContact OE1-CD 3.22Å; E160-K195 WeakPolarHBondContact OE1-CD 3.03Å; E160-K195 WeakPolarHBondContact OE1-CE 3.2Å; E160-K195 IonicContact OE1-NZ 3.02Å; E160-K195 PolarHBondContact OE1-NZ 3.12Å; E160-K195 WeakPolarHBondContact OE2-CD 3.3Å; E160-K195 IonicContact OE2-NZ 2.58Å; E160-K195 PolarHBondContact OE2-NZ 3.02Å; E160-I196 HydrophobicContact CB-CG1 3.98Å; E160-I199 HydrophobicContact CG-CD1 4Å
161L87.1Confident84.7Confident59 Ų5961.3 Ų61.331%0.30931%0.308SS..Hα-helixtrans-64.6-40.3167.3-76.2168.1000112.1L157 I159 S165 I196L157-L161 HydrophobicContact CD1-CD1 4.19Å; L157-L161 HydrophobicContact CD1-CG 4.31Å; L157-L161 HydrophobicContact CG-CD1 3.95Å; L157-L161 WeakPolarHBondContact O-CB 3.34Å; L157-L161 VanDerWaalsContact O-CG 3.22Å; L157-L161 WeakPolarHBondContact O-CG 3.38Å; L157-L161 PolarHBondContact O-N 2.7Å; I159-L161 VanDerWaalsContact C-N 3.31Å; I159-L161 PolarHBondContact O-N 3.11Å; L161-S165 PolarHBondContact O-N 3.44Å; L161-S165 VanDerWaalsContact O-N 3.07Å; L161-I196 HydrophobicContact CD2-CD1 3.87Å; L161-I196 HydrophobicContact CD2-CG1 4.49Å; L161-I196 HydrophobicContact CG-CD1 4.25Å
162Q87.7Confident84.9Confident140 Ų14064.2 Ų64.265%0.65432%0.317SS*.Hα-helixtrans-63.3-46.7172.2-74.11808.700111.3D158 I159 R164 S165 G166D158-Q162 WeakPolarHBondContact O-CG 3.5Å; D158-Q162 PolarHBondContact O-N 3.31Å; I159-Q162 WeakPolarHBondContact O-CB 3.44Å; I159-Q162 PolarHBondContact O-N 2.83Å; I159-Q162 VanDerWaalsContact O-N 3.09Å; Q162-R164 PolarHBondContact O-N 3.02Å; Q162-S165 PolarHBondContact O-N 2.86Å; Q162-S165 PolarHBondContact O-OG 3.16Å; Q162-G166 PolarHBondContact O-N 3.37Å
163V83.7Confident85.1Confident59 Ų5964.6 Ų64.636%0.35833%0.326SS..Hα-helixtrans-56.4-48.3176174.20000110.9I159 E160 S165 G166 A167 A192I159-V163 WeakPolarHBondContact O-CG2 3.44Å; I159-V163 PolarHBondContact O-N 3.42Å; E160-V163 PolarHBondContact O-N 3.3Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 2.85Å; V163-G166 WeakPolarHBondContact O-CA 3.43Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-A167 PolarHBondContact O-N 3.43Å; V163-A192 HydrophobicContact CG1-CB 4.13Å
164R89.9Confident85.2Confident73 Ų7366.9 Ų66.928%0.27533%0.334SS..Hα-helixtrans-55.7-48.5177-164.2-163.876.7172.310.8111.6E160 Q162 G166 A167 E168 Y189 A192 N193 I196E160-R164 WeakPolarHBondContact O-CB 3.5Å; E160-R164 PolarHBondContact O-N 3.04Å; Q162-R164 PolarHBondContact O-N 3.02Å; R164-G166 PolarHBondContact O-N 2.92Å; R164-A167 PolarHBondContact O-N 2.89Å; R164-E168 IonicContact NH2-OE2 2.86Å; R164-E168 VanDerWaalsContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CB 3.25Å; R164-E168 PolarHBondContact O-N 3.48Å; R164-Y189 HydrophobicContact CG-CD2 3.34Å; R164-Y189 HydrophobicContact CG-CE2 3.43Å; R164-Y189 VanDerWaalsContact CG-CE2 3.43Å; R164-Y189 HydrophobicContact CG-CG 4.29Å; R164-A192 HydrophobicContact CB-CB 3.79Å; R164-A192 HydrophobicContact CG-CB 4.24Å; R164-N193 WeakPolarHBondContact CD-OD1 3.36Å; R164-I196 HydrophobicContact CB-CD1 4.13Å
165S86.2Confident84.8Confident34 Ų3469.6 Ų69.624%0.23834%0.344CS..Hα-helixtrans-65.2-24.8177.781.30000113.4L161 Q162 V163 R169L161-S165 PolarHBondContact O-N 3.44Å; L161-S165 VanDerWaalsContact O-N 3.07Å; Q162-S165 PolarHBondContact O-N 2.86Å; Q162-S165 PolarHBondContact O-OG 3.16Å; V163-S165 VanDerWaalsContact C-N 3.34Å; V163-S165 PolarHBondContact O-N 2.85Å; S165-R169 WeakPolarHBondContact O-CG 3.43Å; S165-R169 PolarHBondContact O-N 2.7Å; S165-R169 PolarHBondContact O-NE 3.48Å; S165-R169 PolarHBondContact O-NH2 3.37Å; S165-R169 PolarHBondContact OG-NH2 2.67Å
166G84.5Confident84.5Confident25 Ų2569.4 Ų69.426%0.25836%0.359SS..Hα-helixtrans-72.2-52.4174.100000110.9Q162 V163 R164 E168 R169 L170Q162-G166 PolarHBondContact O-N 3.37Å; V163-G166 WeakPolarHBondContact O-CA 3.43Å; V163-G166 PolarHBondContact O-N 3.41Å; R164-G166 PolarHBondContact O-N 2.92Å; G166-E168 PolarHBondContact O-N 2.81Å; G166-R169 PolarHBondContact O-N 2.74Å; G166-L170 WeakPolarHBondContact O-CG 3.22Å; G166-L170 PolarHBondContact O-N 2.89Å
167A86.5Confident84.2Confident1 Ų169.5 Ų69.51%0.00836%0.364CS..Hα-helixtrans-58.2-48176.500000111.9V163 R164 R169 L170 I171 Q188V163-A167 PolarHBondContact O-N 3.43Å; R164-A167 PolarHBondContact O-N 2.89Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.19Å; A167-L170 CarbonylContact O-C 3.5Å; A167-L170 WeakPolarHBondContact O-CA 3.26Å; A167-L170 WeakPolarHBondContact O-CB 3.42Å; A167-L170 PolarHBondContact O-N 3.39Å; A167-I171 WeakPolarHBondContact O-CD1 3.37Å; A167-I171 PolarHBondContact O-N 2.96Å; A167-Q188 HydrophobicContact CB-CB 3.94Å
168E89.4Confident83.9Confident37 Ų3771.6 Ų71.617%0.17338%0.378CS..Hα-helixtrans-51.5-45.6176-172.7162-125.100112.3R164 G166 I171 Q172 Y189 Y676 T678R164-E168 IonicContact NH2-OE2 2.86Å; R164-E168 VanDerWaalsContact O-CB 3.22Å; R164-E168 WeakPolarHBondContact O-CB 3.25Å; R164-E168 PolarHBondContact O-N 3.48Å; G166-E168 PolarHBondContact O-N 2.81Å; E168-I171 PolarHBondContact O-N 3.14Å; E168-Q172 PolarHBondContact O-N 2.87Å; E168-Q172 VanDerWaalsContact O-N 3.12Å; E168-Y189 HydrophobicContact CB-CD2 4.19Å; E168-Y189 HydrophobicContact CB-CE2 4.24Å; E168-Y189 HydrophobicContact CG-CE2 4.41Å; E168-Y676 HydrophobicContact CB-CE1 4.37Å; E168-Y676 HydrophobicContact CG-CE1 4.04Å; E168-T678 HydrophobicContact CG-CG2 4.42Å
169R88.2Confident83.4Confident156 Ų15676.9 Ų76.959%0.58939%0.393SS*.Hα-helixtrans-66.9-33.8172.8-78176.2-77.9179.6-6.1113.5S165 G166 A167 T173S165-R169 WeakPolarHBondContact O-CG 3.43Å; S165-R169 PolarHBondContact O-N 2.7Å; S165-R169 PolarHBondContact O-NE 3.48Å; S165-R169 PolarHBondContact O-NH2 3.37Å; S165-R169 PolarHBondContact OG-NH2 2.67Å; G166-R169 PolarHBondContact O-N 2.74Å; A167-R169 VanDerWaalsContact C-N 3.31Å; A167-R169 PolarHBondContact O-N 3.19Å; R169-T173 WeakPolarHBondContact O-CB 3.47Å; R169-T173 PolarHBondContact O-N 2.92Å; R169-T173 PolarHBondContact O-OG1 3.29Å
170L85.2Confident83.2Confident68 Ų6877.2 Ų77.236%0.35639%0.392SS..Hα-helixtrans-69-42.1175.7-68.9171.8000112G166 A167 Q172 T173 Y174 A185G166-L170 WeakPolarHBondContact O-CG 3.22Å; G166-L170 PolarHBondContact O-N 2.89Å; A167-L170 CarbonylContact O-C 3.5Å; A167-L170 WeakPolarHBondContact O-CA 3.26Å; A167-L170 WeakPolarHBondContact O-CB 3.42Å; A167-L170 PolarHBondContact O-N 3.39Å; L170-Q172 PolarHBondContact O-N 2.83Å; L170-T173 WeakPolarHBondContact O-CB 3.48Å; L170-T173 PolarHBondContact O-N 2.88Å; L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CE2 4.12Å; L170-Y174 WeakPolarHBondContact O-CB 3.35Å; L170-Y174 WeakPolarHBondContact O-CD2 3.35Å; L170-Y174 PolarHBondContact O-N 3.48Å; L170-A185 HydrophobicContact CB-CB 3.77Å
171I87.9Confident82.8Confident4 Ų480 Ų802%0.02140%0.404CS..Hα-helixtrans-62.8-43.5172.8-70.593.1000110.8A167 E168 T173 Y174 K175 L182 A185 R186 Y676A167-I171 WeakPolarHBondContact O-CD1 3.37Å; A167-I171 PolarHBondContact O-N 2.96Å; E168-I171 PolarHBondContact O-N 3.14Å; I171-T173 PolarHBondContact O-N 3.03Å; I171-Y174 CarbonylContact O-C 3.32Å; I171-Y174 PolarHBondContact O-N 2.92Å; I171-Y174 VanDerWaalsContact O-N 3.16Å; I171-K175 WeakPolarHBondContact O-CA 3.45Å; I171-K175 WeakPolarHBondContact O-CB 3.02Å; I171-K175 PolarHBondContact O-N 2.79Å; I171-L182 HydrophobicContact CG2-CD1 3.91Å; I171-A185 HydrophobicContact CD1-CB 3.62Å; I171-A185 WeakPolarHBondContact CD1-O 3.16Å; I171-A185 HydrophobicContact CG1-CB 3.94Å; I171-R186 HydrophobicContact CG1-CG 4.16Å; I171-Y676 HydrophobicContact CB-CD2 4.17Å; I171-Y676 HydrophobicContact CB-CE2 3.68Å; I171-Y676 HydrophobicContact CD1-CE2 3.51Å; I171-Y676 WeakPolarHBondContact CD1-OH 3.44Å; I171-Y676 HydrophobicContact CG1-CD2 4.27Å; I171-Y676 HydrophobicContact CG1-CE2 3.48Å; I171-Y676 VanDerWaalsContact CG1-CE2 3.48Å; I171-Y676 HydrophobicContact CG2-CD2 3.63Å; I171-Y676 HydrophobicContact CG2-CE2 3.68Å; I171-Y676 HydrophobicContact CG2-CG 4.43Å
172Q85.3Confident82.6Confident129 Ų12978.9 Ų78.960%0.60340%0.398SS*.Hα-helixtrans-63.8-32178.8-156.8169.333.500112.1E168 L170E168-Q172 PolarHBondContact O-N 2.87Å; E168-Q172 VanDerWaalsContact O-N 3.12Å; L170-Q172 PolarHBondContact O-N 2.83Å
173T83.2Confident82.2Confident100 Ų10076.4 Ų76.461%0.61339%0.386SS*.Hα-helixtrans-70.5-41.8171.9-56.80000112.5R169 L170 I171R169-T173 WeakPolarHBondContact O-CB 3.47Å; R169-T173 PolarHBondContact O-N 2.92Å; R169-T173 PolarHBondContact O-OG1 3.29Å; L170-T173 WeakPolarHBondContact O-CB 3.48Å; L170-T173 PolarHBondContact O-N 2.88Å; I171-T173 PolarHBondContact O-N 3.03Å
174Y83Confident81.9Confident71 Ų7177.3 Ų77.328%0.27839%0.387SS..Hα-helixtrans-94.610.5-176.8-66.2-58.6000114.7L170 I171 S176 G177 F181 L182L170-Y174 HydrophobicContact CB-CD2 4.43Å; L170-Y174 HydrophobicContact CD2-CE2 4.12Å; L170-Y174 WeakPolarHBondContact O-CB 3.35Å; L170-Y174 WeakPolarHBondContact O-CD2 3.35Å; L170-Y174 PolarHBondContact O-N 3.48Å; I171-Y174 CarbonylContact O-C 3.32Å; I171-Y174 PolarHBondContact O-N 2.92Å; I171-Y174 VanDerWaalsContact O-N 3.16Å; Y174-S176 PolarHBondContact O-N 3.36Å; Y174-G177 PolarHBondContact O-N 2.89Å; Y174-F181 HydrophobicContact CD1-CB 3.92Å; Y174-F181 HydrophobicContact CD1-CD2 4.42Å; Y174-F181 HydrophobicContact CD1-CG 4.49Å; Y174-F181 HydrophobicContact CD2-CB 3.73Å; Y174-F181 HydrophobicContact CE1-CB 4.03Å; Y174-F181 AromaticContact CE1-CD2 3.97Å; Y174-F181 HydrophobicContact CE1-CD2 3.97Å; Y174-F181 HydrophobicContact CE1-CG 4.15Å; Y174-F181 HydrophobicContact CE2-CB 3.84Å; Y174-F181 HydrophobicContact CE2-CG 4.26Å; Y174-F181 HydrophobicContact CG-CB 3.78Å; Y174-L182 WeakPolarHBondContact O-CD1 3.41Å
175K78.5Confident81.7Confident131 Ų13174 Ų7457%0.5738%0.375SS*.THydrogen-bonded Turntrans-57.6-21.6-178.7-157.5164-176.2173.60113.9I171 D677I171-K175 WeakPolarHBondContact O-CA 3.45Å; I171-K175 WeakPolarHBondContact O-CB 3.02Å; I171-K175 PolarHBondContact O-N 2.79Å; K175-D677 IonicContact NZ-OD2 3.87Å; K175-D677 PolarHBondContact NZ-OD2 3.01Å
176S77.7Confident81.8Confident124 Ų12475.4 Ų75.487%0.86738%0.375SS*.THydrogen-bonded Turntrans-125.420.1170.862.20000113.4Y174Y174-S176 PolarHBondContact O-N 3.36Å
177G71.9Confident81.6Confident36 Ų3678.6 Ų78.637%0.37138%0.382SS..SBendtrans-100.1-169.7-174.400000114.5Y174 R179Y174-G177 PolarHBondContact O-N 2.89Å; G177-R179 PolarHBondContact O-N 2.9Å
178P76.7Confident81.3Confident60 Ų6082.2 Ų82.239%0.3940%0.399SS..  trans-61.6127.1175.8-21.533.5000111.6H180 F181 L182P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 PolarHBondContact O-N 3.02Å; P178-H180 VanDerWaalsContact O-N 3.09Å; P178-F181 HydrophobicContact CB-CD2 3.96Å; P178-F181 HydrophobicContact CG-CD2 3.96Å; P178-F181 HydrophobicContact CG-CE2 4.37Å; P178-F181 PolarHBondContact O-N 3.18Å; P178-L182 PolarHBondContact O-N 2.94Å
179R75Confident81.3Confident181 Ų18182.5 Ų82.568%0.68340%0.399SS*.Hα-helixtrans-52.6-36.5-170.8-169.9174.8175.3134.75.1114.8G177 F181 L182 E183G177-R179 PolarHBondContact O-N 2.9Å; R179-F181 PolarHBondContact O-N 3.42Å; R179-L182 WeakPolarHBondContact O-CB 3.2Å; R179-L182 PolarHBondContact O-N 3.39Å; R179-E183 HydrophobicContact CG-CG 4.36Å; R179-E183 WeakPolarHBondContact CG-OE1 3.33Å; R179-E183 IonicContact CZ-OE1 2.67Å; R179-E183 IonicContact NE-OE1 2.89Å; R179-E183 PolarHBondContact NE-OE1 2.82Å; R179-E183 IonicContact NH2-OE1 3.17Å; R179-E183 PolarHBondContact NH2-OE1 2.58Å; R179-E183 WeakPolarHBondContact O-CB 3.26Å; R179-E183 WeakPolarHBondContact O-CG 3.45Å; R179-E183 PolarHBondContact O-N 3.41Å
180H76.2Confident80.8Confident102 Ų10279.9 Ų79.947%0.47239%0.393SS..Hα-helixtrans-66.1-35178.878.9-82.5000113.8P178 E183 E184P178-H180 VanDerWaalsContact C-N 3.26Å; P178-H180 PolarHBondContact O-N 3.02Å; P178-H180 VanDerWaalsContact O-N 3.09Å; H180-E183 PolarHBondContact O-N 2.71Å; H180-E184 WeakPolarHBondContact O-CB 3.47Å; H180-E184 PolarHBondContact O-N 2.96Å
181F76.3Confident80.3Confident90 Ų9080.2 Ų80.240%0.39540%0.395SS..Hα-helixtrans-71.4-34.4175.6-73.3-53000111.6Y174 P178 R179 A185Y174-F181 HydrophobicContact CD1-CB 3.92Å; Y174-F181 HydrophobicContact CD1-CD2 4.42Å; Y174-F181 HydrophobicContact CD1-CG 4.49Å; Y174-F181 HydrophobicContact CD2-CB 3.73Å; Y174-F181 HydrophobicContact CE1-CB 4.03Å; Y174-F181 AromaticContact CE1-CD2 3.97Å; Y174-F181 HydrophobicContact CE1-CD2 3.97Å; Y174-F181 HydrophobicContact CE1-CG 4.15Å; Y174-F181 HydrophobicContact CE2-CB 3.84Å; Y174-F181 HydrophobicContact CE2-CG 4.26Å; Y174-F181 HydrophobicContact CG-CB 3.78Å; P178-F181 HydrophobicContact CB-CD2 3.96Å; P178-F181 HydrophobicContact CG-CD2 3.96Å; P178-F181 HydrophobicContact CG-CE2 4.37Å; P178-F181 PolarHBondContact O-N 3.18Å; R179-F181 PolarHBondContact O-N 3.42Å; F181-A185 VanDerWaalsContact O-CB 3.23Å; F181-A185 WeakPolarHBondContact O-CB 3.18Å; F181-A185 PolarHBondContact O-N 3.03Å
182L82.6Confident79.8Confident35 Ų3580 Ų8018%0.18340%0.395CS..Hα-helixtrans-60.3-56.5169.3-171.792.7000109.3I171 Y174 P178 R179 E184 A185 R186I171-L182 HydrophobicContact CG2-CD1 3.91Å; Y174-L182 WeakPolarHBondContact O-CD1 3.41Å; P178-L182 PolarHBondContact O-N 2.94Å; R179-L182 WeakPolarHBondContact O-CB 3.2Å; R179-L182 PolarHBondContact O-N 3.39Å; L182-E184 PolarHBondContact O-N 3.28Å; L182-A185 PolarHBondContact O-N 3.01Å; L182-A185 VanDerWaalsContact O-N 3.11Å; L182-R186 HydrophobicContact CG-CG 4.39Å; L182-R186 WeakPolarHBondContact O-CG 3.41Å; L182-R186 PolarHBondContact O-N 3.02Å
183E78.7Confident79.5Confident88 Ų8876.3 Ų76.341%0.41138%0.379SS..Hα-helixtrans-62-39.7-174.1-74.4167.5168.900114R179 H180 R186 K187R179-E183 HydrophobicContact CG-CG 4.36Å; R179-E183 WeakPolarHBondContact CG-OE1 3.33Å; R179-E183 IonicContact CZ-OE1 2.67Å; R179-E183 IonicContact NE-OE1 2.89Å; R179-E183 PolarHBondContact NE-OE1 2.82Å; R179-E183 IonicContact NH2-OE1 3.17Å; R179-E183 PolarHBondContact NH2-OE1 2.58Å; R179-E183 WeakPolarHBondContact O-CB 3.26Å; R179-E183 WeakPolarHBondContact O-CG 3.45Å; R179-E183 PolarHBondContact O-N 3.41Å; H180-E183 PolarHBondContact O-N 2.71Å; E183-R186 WeakPolarHBondContact O-CB 3.5Å; E183-R186 PolarHBondContact O-N 3.44Å; E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 PolarHBondContact O-N 2.91Å; E183-K187 VanDerWaalsContact O-N 3.12Å
184E77.9Confident78.8Confident78 Ų7874.8 Ų74.836%0.36437%0.367SS..Hα-helixtrans-68.9-37172.7176.854.6-147.200111.8H180 L182 K187 Q188H180-E184 WeakPolarHBondContact O-CB 3.47Å; H180-E184 PolarHBondContact O-N 2.96Å; L182-E184 PolarHBondContact O-N 3.28Å; E184-K187 PolarHBondContact O-N 2.54Å; E184-K187 IonicContact OE2-NZ 2.78Å; E184-K187 PolarHBondContact OE2-NZ 2.9Å; E184-Q188 WeakPolarHBondContact O-CG 3.47Å; E184-Q188 PolarHBondContact O-N 2.83Å; E184-Q188 PolarHBondContact OE1-NE2 3.14Å
185A85.3Confident78.3Confident5 Ų575.6 Ų75.64%0.04137%0.372CS..Hα-helixtrans-67.6-37.2175.200000111.9L170 I171 F181 L182 Q188 Y189L170-A185 HydrophobicContact CB-CB 3.77Å; I171-A185 HydrophobicContact CD1-CB 3.62Å; I171-A185 WeakPolarHBondContact CD1-O 3.16Å; I171-A185 HydrophobicContact CG1-CB 3.94Å; F181-A185 VanDerWaalsContact O-CB 3.23Å; F181-A185 WeakPolarHBondContact O-CB 3.18Å; F181-A185 PolarHBondContact O-N 3.03Å; L182-A185 PolarHBondContact O-N 3.01Å; L182-A185 VanDerWaalsContact O-N 3.11Å; A185-Q188 PolarHBondContact O-N 3.11Å; A185-Y189 PolarHBondContact O-N 2.93Å
186R87Confident78.2Confident62 Ų6269.6 Ų69.623%0.23435%0.346CS..Hα-helixtrans-54.2-55.2171.1-56.9-143.8149.7-144.1-22.5110.7I171 L182 E183 Q188 Y189 E190 E675I171-R186 HydrophobicContact CG1-CG 4.16Å; L182-R186 HydrophobicContact CG-CG 4.39Å; L182-R186 WeakPolarHBondContact O-CG 3.41Å; L182-R186 PolarHBondContact O-N 3.02Å; E183-R186 WeakPolarHBondContact O-CB 3.5Å; E183-R186 PolarHBondContact O-N 3.44Å; R186-Q188 PolarHBondContact O-N 3.35Å; R186-Y189 PolarHBondContact O-N 2.88Å; R186-E190 PolarHBondContact O-N 3.17Å; R186-E675 VanDerWaalsContact CA-OE2 3.3Å; R186-E675 WeakPolarHBondContact CA-OE2 3.3Å; R186-E675 WeakPolarHBondContact CB-OE2 3.49Å; R186-E675 WeakPolarHBondContact CD-OE2 3.48Å; R186-E675 WeakPolarHBondContact CG-OE2 3.48Å; R186-E675 IonicContact CZ-OE2 3.98Å; R186-E675 IonicContact NE-OE2 2.89Å; R186-E675 PolarHBondContact NE-OE2 3.39Å; R186-E675 PolarHBondContact NH1-O 3.48Å; R186-E675 IonicContact NH1-OE2 3.37Å; R186-E675 PolarHBondContact NH2-O 2.97Å; R186-E675 VanDerWaalsContact NH2-O 3.09Å
187K81.1Confident77.6Confident92 Ų9265.1 Ų65.140%0.432%0.32SS..Hα-helixtrans-56-34.6178.1-176.2-175.9168-156.60112.8E183 E184 N191E183-K187 WeakPolarHBondContact O-CB 3.49Å; E183-K187 PolarHBondContact O-N 2.91Å; E183-K187 VanDerWaalsContact O-N 3.12Å; E184-K187 PolarHBondContact O-N 2.54Å; E184-K187 IonicContact OE2-NZ 2.78Å; E184-K187 PolarHBondContact OE2-NZ 2.9Å; K187-N191 WeakPolarHBondContact O-CB 3.46Å; K187-N191 PolarHBondContact O-N 2.97Å; K187-N191 PolarHBondContact O-ND2 3.15Å
188Q80.5Confident77.5Confident77 Ų7767.2 Ų67.236%0.3632%0.319SS..Hα-helixtrans-71.1-37.1176.2-71.9177.121.900113.1A167 E184 A185 R186 A192A167-Q188 HydrophobicContact CB-CB 3.94Å; E184-Q188 WeakPolarHBondContact O-CG 3.47Å; E184-Q188 PolarHBondContact O-N 2.83Å; E184-Q188 PolarHBondContact OE1-NE2 3.14Å; A185-Q188 PolarHBondContact O-N 3.11Å; R186-Q188 PolarHBondContact O-N 3.35Å; Q188-A192 WeakPolarHBondContact O-CB 3.44Å; Q188-A192 PolarHBondContact O-N 3.28Å
189Y88.8Confident77.2Confident43 Ų4365 Ų6517%0.16930%0.304CS..Hα-helixtrans-70-44.3176.7177.1-97.9000112.5R164 E168 A185 R186 N191 A192 N193 E675 Y676R164-Y189 HydrophobicContact CG-CD2 3.34Å; R164-Y189 HydrophobicContact CG-CE2 3.43Å; R164-Y189 VanDerWaalsContact CG-CE2 3.43Å; R164-Y189 HydrophobicContact CG-CG 4.29Å; E168-Y189 HydrophobicContact CB-CD2 4.19Å; E168-Y189 HydrophobicContact CB-CE2 4.24Å; E168-Y189 HydrophobicContact CG-CE2 4.41Å; A185-Y189 PolarHBondContact O-N 2.93Å; R186-Y189 PolarHBondContact O-N 2.88Å; Y189-N191 PolarHBondContact O-N 3.27Å; Y189-A192 PolarHBondContact O-N 3.33Å; Y189-N193 VanDerWaalsContact CD1-ND2 3.31Å; Y189-N193 WeakPolarHBondContact CD1-ND2 2.96Å; Y189-N193 WeakPolarHBondContact CE1-ND2 3.11Å; Y189-N193 PolarHBondContact O-N 3.32Å; Y189-N193 PolarHBondContact O-ND2 3.41Å; Y189-E675 HydrophobicContact CD1-CG 4.32Å; Y189-E675 WeakPolarHBondContact CD1-OE1 3.45Å; Y189-E675 HydrophobicContact CE1-CG 4.47Å; Y189-Y676 WeakPolarHBondContact CB-OH 3.31Å; Y189-Y676 HydrophobicContact CD1-CE1 4.31Å; Y189-Y676 AromaticContact CD1-CZ 3.86Å; Y189-Y676 WeakPolarHBondContact CD1-OH 3.48Å; Y189-Y676 HydrophobicContact CD2-CE1 4.09Å; Y189-Y676 AromaticContact CD2-CZ 3.88Å; Y189-Y676 WeakPolarHBondContact CD2-OH 3.41Å; Y189-Y676 AromaticContact CE1-CE1 3.99Å; Y189-Y676 HydrophobicContact CE1-CE1 3.99Å; Y189-Y676 AromaticContact CE2-CE1 3.77Å; Y189-Y676 HydrophobicContact CE2-CE1 3.77Å; Y189-Y676 HydrophobicContact CG-CE1 4.35Å; Y189-Y676 AromaticContact CG-CZ 3.78Å; Y189-Y676 AromaticContact CZ-CE1 3.73Å
190E79.1Confident77.2Confident101 Ų10162.7 Ų62.747%0.47230%0.295SS..Hα-helixtrans-57.9-48.7174.9-169.3-172.5173.800111.2R186 A192 N193 N194R186-E190 PolarHBondContact O-N 3.17Å; E190-A192 VanDerWaalsContact C-N 3.32Å; E190-A192 PolarHBondContact O-N 2.73Å; E190-N193 PolarHBondContact O-N 3.41Å; E190-N194 PolarHBondContact O-N 3.33Å; E190-N194 PolarHBondContact O-ND2 3.16Å
191N73Confident76.7Confident75 Ų7561.9 Ų61.940%0.40129%0.294SS..Hα-helixtrans-59.3-39.4175.7-86-70.1000112.8K187 Y189 K195K187-N191 WeakPolarHBondContact O-CB 3.46Å; K187-N191 PolarHBondContact O-N 2.97Å; K187-N191 PolarHBondContact O-ND2 3.15Å; Y189-N191 PolarHBondContact O-N 3.27Å; N191-K195 VanDerWaalsContact O-CG 3.3Å; N191-K195 WeakPolarHBondContact O-CG 3.5Å; N191-K195 PolarHBondContact O-N 3.06Å
192A78.1Confident76.3Confident1 Ų159.6 Ų59.61%0.00828%0.284CS..Hα-helixtrans-66-43.4176.600000111.8V163 R164 Q188 Y189 E190 K195 I196V163-A192 HydrophobicContact CG1-CB 4.13Å; R164-A192 HydrophobicContact CB-CB 3.79Å; R164-A192 HydrophobicContact CG-CB 4.24Å; Q188-A192 WeakPolarHBondContact O-CB 3.44Å; Q188-A192 PolarHBondContact O-N 3.28Å; Y189-A192 PolarHBondContact O-N 3.33Å; E190-A192 VanDerWaalsContact C-N 3.32Å; E190-A192 PolarHBondContact O-N 2.73Å; A192-K195 PolarHBondContact O-N 3.24Å; A192-I196 WeakPolarHBondContact O-CB 3.05Å; A192-I196 WeakPolarHBondContact O-CD1 3.47Å; A192-I196 WeakPolarHBondContact O-CG1 3.31Å; A192-I196 PolarHBondContact O-N 3.17Å
193N79.5Confident75.9Confident51 Ų5159.1 Ų59.127%0.27328%0.282SS..Hα-helixtrans-62.1-44.7177.5-78.4-42.1000112.7R164 Y189 E190 K195 I196 G197R164-N193 WeakPolarHBondContact CD-OD1 3.36Å; Y189-N193 VanDerWaalsContact CD1-ND2 3.31Å; Y189-N193 WeakPolarHBondContact CD1-ND2 2.96Å; Y189-N193 WeakPolarHBondContact CE1-ND2 3.11Å; Y189-N193 PolarHBondContact O-N 3.32Å; Y189-N193 PolarHBondContact O-ND2 3.41Å; E190-N193 PolarHBondContact O-N 3.41Å; N193-K195 VanDerWaalsContact C-N 3.33Å; N193-K195 PolarHBondContact O-N 3.16Å; N193-I196 PolarHBondContact O-N 2.95Å; N193-I196 VanDerWaalsContact O-N 3.16Å; N193-G197 PolarHBondContact O-N 3.43Å
194N68.9Low75.5Confident68 Ų6858.8 Ų58.836%0.36428%0.282SS..Hα-helixtrans-60.2-42.9178.4-69.1-22000111.5E190 G197 F198E190-N194 PolarHBondContact O-N 3.33Å; E190-N194 PolarHBondContact O-ND2 3.16Å; N194-G197 PolarHBondContact O-N 3.19Å; N194-F198 PolarHBondContact O-N 3.09Å
195K71.2Confident74.9Confident87 Ų8757.9 Ų57.938%0.37828%0.275SS..Hα-helixtrans-67-39.4173.5-64.3170.8-169.4173.10113.1E160 N191 A192 N193 G197 F198 I199E160-K195 HydrophobicContact CG-CB 4.13Å; E160-K195 HydrophobicContact CG-CD 3.86Å; E160-K195 VanDerWaalsContact OE1-CD 3.22Å; E160-K195 WeakPolarHBondContact OE1-CD 3.03Å; E160-K195 WeakPolarHBondContact OE1-CE 3.2Å; E160-K195 IonicContact OE1-NZ 3.02Å; E160-K195 PolarHBondContact OE1-NZ 3.12Å; E160-K195 WeakPolarHBondContact OE2-CD 3.3Å; E160-K195 IonicContact OE2-NZ 2.58Å; E160-K195 PolarHBondContact OE2-NZ 3.02Å; N191-K195 VanDerWaalsContact O-CG 3.3Å; N191-K195 WeakPolarHBondContact O-CG 3.5Å; N191-K195 PolarHBondContact O-N 3.06Å; A192-K195 PolarHBondContact O-N 3.24Å; N193-K195 VanDerWaalsContact C-N 3.33Å; N193-K195 PolarHBondContact O-N 3.16Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.04Å; K195-F198 PolarHBondContact O-N 3.07Å; K195-I199 HydrophobicContact CB-CD1 4.46Å; K195-I199 WeakPolarHBondContact O-CB 3.36Å; K195-I199 WeakPolarHBondContact O-CD1 3.47Å; K195-I199 VanDerWaalsContact O-CG1 3.23Å; K195-I199 WeakPolarHBondContact O-CG1 2.94Å; K195-I199 PolarHBondContact O-N 3.42Å
196I77Confident74Confident5 Ų558.5 Ų58.53%0.02628%0.278CS..Hα-helixtrans-59.3-42.3176-74.2161.2000110L157 E160 L161 R164 A192 N193 R200L157-I196 HydrophobicContact CD1-CB 4.4Å; L157-I196 HydrophobicContact CD1-CG1 4.23Å; L157-I196 HydrophobicContact CD1-CG2 3.98Å; E160-I196 HydrophobicContact CB-CG1 3.98Å; L161-I196 HydrophobicContact CD2-CD1 3.87Å; L161-I196 HydrophobicContact CD2-CG1 4.49Å; L161-I196 HydrophobicContact CG-CD1 4.25Å; R164-I196 HydrophobicContact CB-CD1 4.13Å; A192-I196 WeakPolarHBondContact O-CB 3.05Å; A192-I196 WeakPolarHBondContact O-CD1 3.47Å; A192-I196 WeakPolarHBondContact O-CG1 3.31Å; A192-I196 PolarHBondContact O-N 3.17Å; N193-I196 PolarHBondContact O-N 2.95Å; N193-I196 VanDerWaalsContact O-N 3.16Å; I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.45Å; I196-R200 WeakPolarHBondContact O-CG 3.38Å; I196-R200 PolarHBondContact O-N 2.76Å
197G64.4Low73.4Confident31 Ų3160.6 Ų60.632%0.3229%0.289SS..Hα-helixtrans-59.8-51172.100000112.3N193 N194 K195 I199 R200 N201N193-G197 PolarHBondContact O-N 3.43Å; N194-G197 PolarHBondContact O-N 3.19Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.04Å; G197-I199 PolarHBondContact O-N 3.2Å; G197-R200 PolarHBondContact O-N 3.44Å; G197-N201 PolarHBondContact O-N 3.22Å
198F69.7Low72.6Confident79 Ų7961.8 Ų61.835%0.34630%0.296SS..Hα-helixtrans-57.9-48.1177.4178-98.8000113.1N194 K195 R200 N201 Q202 L542N194-F198 PolarHBondContact O-N 3.09Å; K195-F198 PolarHBondContact O-N 3.07Å; F198-R200 PolarHBondContact O-N 3.04Å; F198-N201 PolarHBondContact O-N 2.97Å; F198-Q202 HydrophobicContact CD1-CG 4.17Å; F198-Q202 HydrophobicContact CE1-CG 3.68Å; F198-Q202 HydrophobicContact CE2-CG 4.05Å; F198-Q202 HydrophobicContact CZ-CG 3.6Å; F198-Q202 WeakPolarHBondContact O-CG 3.2Å; F198-Q202 PolarHBondContact O-N 3.36Å; F198-L542 HydrophobicContact CE2-CD1 3.56Å; F198-L542 HydrophobicContact CE2-CD2 4.04Å; F198-L542 HydrophobicContact CE2-CG 4.46Å; F198-L542 HydrophobicContact CZ-CD1 3.7Å
199I71.2Confident71.6Confident15 Ų1565.3 Ų65.38%0.07731%0.314CS..Hα-helixtrans-65.3-41-179-65.1162.1000110.4L153 A156 L157 E160 K195 G197 N201 Q202 M203L153-I199 HydrophobicContact CB-CG2 4.35Å; L153-I199 HydrophobicContact CD2-CG2 4.18Å; L153-I199 VanDerWaalsContact O-CG2 3.28Å; L153-I199 WeakPolarHBondContact O-CG2 3.39Å; A156-I199 HydrophobicContact CB-CD1 3.97Å; L157-I199 HydrophobicContact CB-CG2 3.81Å; L157-I199 HydrophobicContact CD1-CG2 4.49Å; E160-I199 HydrophobicContact CG-CD1 4Å; K195-I199 HydrophobicContact CB-CD1 4.46Å; K195-I199 WeakPolarHBondContact O-CB 3.36Å; K195-I199 WeakPolarHBondContact O-CD1 3.47Å; K195-I199 VanDerWaalsContact O-CG1 3.23Å; K195-I199 WeakPolarHBondContact O-CG1 2.94Å; K195-I199 PolarHBondContact O-N 3.42Å; G197-I199 PolarHBondContact O-N 3.2Å; I199-N201 PolarHBondContact O-N 3.06Å; I199-Q202 PolarHBondContact O-N 3.24Å; I199-M203 HydrophobicContact CG2-SD 4.35Å; I199-M203 WeakPolarHBondContact O-CG 3.44Å; I199-M203 PolarHBondContact O-N 3.49Å
200R75.4Confident70.2Confident131 Ų13165.2 Ų65.249%0.49432%0.317SS..Hα-helixtrans-59.5-45.6172.6-75.4170.2177.1-173.1-0.4111.8L157 I196 G197 F198 Q202 M203 I204L157-R200 HydrophobicContact CD1-CG 4.37Å; I196-R200 WeakPolarHBondContact O-CB 3.48Å; I196-R200 WeakPolarHBondContact O-CD 3.45Å; I196-R200 WeakPolarHBondContact O-CG 3.38Å; I196-R200 PolarHBondContact O-N 2.76Å; G197-R200 PolarHBondContact O-N 3.44Å; F198-R200 PolarHBondContact O-N 3.04Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 2.81Å; R200-M203 PolarHBondContact O-N 3.22Å; R200-I204 WeakPolarHBondContact O-CG1 3.5Å; R200-I204 PolarHBondContact O-N 2.89Å
201N65Low68.7Low85 Ų8567.2 Ų67.246%0.45533%0.326SS..Hα-helixtrans-63.5-38.1176.9-74.3-11.1000112G197 F198 I199 I204 R205G197-N201 PolarHBondContact O-N 3.22Å; F198-N201 PolarHBondContact O-N 2.97Å; I199-N201 PolarHBondContact O-N 3.06Å; N201-I204 PolarHBondContact O-N 3.38Å; N201-R205 WeakPolarHBondContact O-CG 3.3Å; N201-R205 PolarHBondContact O-N 3.01Å
202Q69Low66.9Low42 Ų4266.8 Ų66.820%0.19634%0.339CS..Hα-helixtrans-66.9-38.2172.8-67.5-75.575.900112.2L153 F198 I199 R200 I204 R205 V206L153-Q202 HydrophobicContact CD1-CB 4.11Å; L153-Q202 HydrophobicContact CD2-CB 3.84Å; F198-Q202 HydrophobicContact CD1-CG 4.17Å; F198-Q202 HydrophobicContact CE1-CG 3.68Å; F198-Q202 HydrophobicContact CE2-CG 4.05Å; F198-Q202 HydrophobicContact CZ-CG 3.6Å; F198-Q202 WeakPolarHBondContact O-CG 3.2Å; F198-Q202 PolarHBondContact O-N 3.36Å; I199-Q202 PolarHBondContact O-N 3.24Å; R200-Q202 VanDerWaalsContact C-N 3.33Å; R200-Q202 PolarHBondContact O-N 2.81Å; Q202-I204 VanDerWaalsContact C-N 3.35Å; Q202-R205 PolarHBondContact O-N 3.27Å; Q202-V206 WeakPolarHBondContact O-CB 3.22Å; Q202-V206 VanDerWaalsContact O-CG2 3.28Å; Q202-V206 WeakPolarHBondContact O-CG2 3.46Å; Q202-V206 PolarHBondContact O-N 2.92Å
203M73.4Confident64.5Low25 Ų2575.6 Ų75.612%0.12338%0.378CS..Hα-helixtrans-65.6-36.4173.1-70178.180.800112.3L150 L153 Q154 L157 I199 R200 K207L150-M203 HydrophobicContact CD2-CB 4.5Å; L153-M203 HydrophobicContact CB-CG 3.63Å; L153-M203 HydrophobicContact CB-SD 4.35Å; L153-M203 HydrophobicContact CD1-CG 4.02Å; L153-M203 HydrophobicContact CG-CG 4.37Å; Q154-M203 HydrophobicContact CB-CE 4.29Å; L157-M203 HydrophobicContact CD2-SD 3.85Å; I199-M203 HydrophobicContact CG2-SD 4.35Å; I199-M203 WeakPolarHBondContact O-CG 3.44Å; I199-M203 PolarHBondContact O-N 3.49Å; R200-M203 PolarHBondContact O-N 3.22Å; M203-K207 WeakPolarHBondContact O-CB 3.28Å; M203-K207 VanDerWaalsContact O-CG 3.29Å; M203-K207 WeakPolarHBondContact O-CG 3.5Å; M203-K207 PolarHBondContact O-N 3.49Å
204I70.9Confident62.1Low82 Ų8283.4 Ų83.442%0.42141%0.405SS..Hα-helixtrans-63.7-49.4173.2-70164.2000109.9R200 N201 Q202 V206 K207 Q208R200-I204 WeakPolarHBondContact O-CG1 3.5Å; R200-I204 PolarHBondContact O-N 2.89Å; N201-I204 PolarHBondContact O-N 3.38Å; Q202-I204 VanDerWaalsContact C-N 3.35Å; I204-V206 PolarHBondContact O-N 3.47Å; I204-K207 PolarHBondContact O-N 3.35Å; I204-Q208 HydrophobicContact CG2-CG 4.42Å; I204-Q208 WeakPolarHBondContact O-CG 3.2Å; I204-Q208 PolarHBondContact O-N 2.85Å
205R63.8Low60Low58 Ų5887.7 Ų87.722%0.21942%0.423CS..Hα-helixtrans-59.4-44176.6-68.8174.6-159.8176.2-3.9112.5N201 Q202 K207 Q208 M209 E511 L514N201-R205 WeakPolarHBondContact O-CG 3.3Å; N201-R205 PolarHBondContact O-N 3.01Å; Q202-R205 PolarHBondContact O-N 3.27Å; R205-K207 VanDerWaalsContact C-N 3.31Å; R205-K207 PolarHBondContact O-N 3.5Å; R205-Q208 PolarHBondContact O-N 3.36Å; R205-M209 WeakPolarHBondContact O-CB 3.23Å; R205-M209 VanDerWaalsContact O-CG 3.3Å; R205-M209 WeakPolarHBondContact O-CG 3.33Å; R205-M209 PolarHBondContact O-N 3.23Å; R205-E511 PolarHBondContact NH2-O 2.69Å; R205-L514 PolarHBondContact NH1-O 2.75Å
206V67.9Low58Low18 Ų1889.3 Ų89.311%0.10944%0.443CS..Hα-helixtrans-69.9-28.2179.5176.40000111.9I146 R149 L150 L153 Q202 I204 N210I146-V206 HydrophobicContact CG2-CG1 3.93Å; R149-V206 HydrophobicContact CB-CG1 4.47Å; R149-V206 HydrophobicContact CG-CG1 4.45Å; R149-V206 HydrophobicContact CG-CG2 4.2Å; L150-V206 HydrophobicContact CD1-CG1 4.37Å; L150-V206 HydrophobicContact CD2-CB 3.94Å; L150-V206 HydrophobicContact CD2-CG1 3.69Å; L150-V206 HydrophobicContact CG-CB 4.46Å; L150-V206 HydrophobicContact CG-CG1 3.66Å; L153-V206 HydrophobicContact CD1-CB 4.46Å; L153-V206 HydrophobicContact CD1-CG2 3.99Å; Q202-V206 WeakPolarHBondContact O-CB 3.22Å; Q202-V206 VanDerWaalsContact O-CG2 3.28Å; Q202-V206 WeakPolarHBondContact O-CG2 3.46Å; Q202-V206 PolarHBondContact O-N 2.92Å; I204-V206 PolarHBondContact O-N 3.47Å; V206-N210 PolarHBondContact O-N 3.45Å
207K72.7Confident55.7Low107 Ų10796.2 Ų96.247%0.46548%0.48SS..Hα-helixtrans-71-43.9168.2-76.1176.9176.7-171.40112.5L150 M203 I204 R205 M209 N210 E211L150-K207 HydrophobicContact CD2-CG 4.31Å; M203-K207 WeakPolarHBondContact O-CB 3.28Å; M203-K207 VanDerWaalsContact O-CG 3.29Å; M203-K207 WeakPolarHBondContact O-CG 3.5Å; M203-K207 PolarHBondContact O-N 3.49Å; I204-K207 PolarHBondContact O-N 3.35Å; R205-K207 VanDerWaalsContact C-N 3.31Å; R205-K207 PolarHBondContact O-N 3.5Å; K207-M209 VanDerWaalsContact C-N 3.31Å; K207-M209 PolarHBondContact O-N 2.88Å; K207-N210 CarbonylContact O-C 3.59Å; K207-N210 WeakPolarHBondContact O-CA 3.29Å; K207-N210 VanDerWaalsContact O-CB 3.3Å; K207-N210 WeakPolarHBondContact O-CB 3.22Å; K207-N210 PolarHBondContact O-N 2.74Å; K207-E211 PolarHBondContact O-N 3.17Å; K207-E211 VanDerWaalsContact O-N 3.13Å
208Q64.9Low53.8Low117 Ų117100.6 Ų100.655%0.54750%0.5SS..Hα-helixtrans-62.2-37.5175.3-71.9168.7-28.200111.7I204 R205 N210 E211I204-Q208 HydrophobicContact CG2-CG 4.42Å; I204-Q208 WeakPolarHBondContact O-CG 3.2Å; I204-Q208 PolarHBondContact O-N 2.85Å; R205-Q208 PolarHBondContact O-N 3.36Å; Q208-N210 PolarHBondContact O-N 2.9Å; Q208-E211 CarbonylContact O-C 3.57Å; Q208-E211 VanDerWaalsContact O-C 3.32Å; Q208-E211 PolarHBondContact O-N 2.79Å; Q208-E211 VanDerWaalsContact O-O 3.13Å
209M60Low51.8Low150 Ų150102.6 Ų102.674%0.73952%0.524SS*.THydrogen-bonded Turntrans-65-13.7170.3-73.5174.4167.100114R205 K207R205-M209 WeakPolarHBondContact O-CB 3.23Å; R205-M209 VanDerWaalsContact O-CG 3.3Å; R205-M209 WeakPolarHBondContact O-CG 3.33Å; R205-M209 PolarHBondContact O-N 3.23Å; K207-M209 VanDerWaalsContact C-N 3.31Å; K207-M209 PolarHBondContact O-N 2.88Å
210N59.5Low49.7Very low42 Ų42107.2 Ų107.223%0.22556%0.555CS.*THydrogen-bonded Turntrans-101-4.8174-173.791.5000112.2I146 V206 K207 Q208 R690I146-N210 HydrophobicContact CG2-CB 4.28Å; V206-N210 PolarHBondContact O-N 3.45Å; K207-N210 CarbonylContact O-C 3.59Å; K207-N210 WeakPolarHBondContact O-CA 3.29Å; K207-N210 VanDerWaalsContact O-CB 3.3Å; K207-N210 WeakPolarHBondContact O-CB 3.22Å; K207-N210 PolarHBondContact O-N 2.74Å; Q208-N210 PolarHBondContact O-N 2.9Å; N210-R690 WeakPolarHBondContact OD1-CG 3.42Å
211E47.4Very low47.3Very low142 Ų142108.7 Ų108.766%0.66457%0.572SS**SBendtrans-128.872.4-177.5-71.5172.6-170.500108.6K207 Q208K207-E211 PolarHBondContact O-N 3.17Å; K207-E211 VanDerWaalsContact O-N 3.13Å; Q208-E211 CarbonylContact O-C 3.57Å; Q208-E211 VanDerWaalsContact O-C 3.32Å; Q208-E211 PolarHBondContact O-N 2.79Å; Q208-E211 VanDerWaalsContact O-O 3.13Å
212G34.6Very low45.3Very low66 Ų66107.9 Ų107.968%0.6858%0.583SS**  trans-69.6149.3-173.600000114.4
213F28.1Very low43.3Very low186 Ų186111.5 Ų111.582%0.81661%0.613SS**  trans64.3117.7-176-82.6-107.5000115.8
214Y28.8Very low41Very low216 Ų216121.2 Ų121.285%0.84765%0.649SS**  -164.5158.3100-110.8-80.7000111.3
215Q26.1Very low38.8Very low157 Ų157121.6 Ų121.673%0.73466%0.659SS**  trans-83.2152.8-179.5-68175-34.300111.7D217Q215-D217 PolarHBondContact O-N 3.09Å; Q215-D217 VanDerWaalsContact O-N 3.08Å
216P27.5Very low37Very low122 Ų122126.4 Ų126.479%0.79268%0.684SS**  trans-77.691.8173.931.7-33.2000110.4T218P216-T218 PolarHBondContact O-N 3.2Å
217D28.5Very low35.1Very low150 Ų150131.4 Ų131.480%0.80271%0.71SS**  trans-62.8134.1179.3-104.9-36.8000112.2Q215Q215-D217 PolarHBondContact O-N 3.09Å; Q215-D217 VanDerWaalsContact O-N 3.08Å
218T25.9Very low32.9Very low123 Ų123132.9 Ų132.976%0.75572%0.721SS**  trans-92.7135.5-179.653.90000110.6P216P216-T218 PolarHBondContact O-N 3.2Å
219S27.8Very low31Very low120 Ų120131.7 Ų131.784%0.83973%0.726SS**  trans-149.2116.4167.5-790000109.9
220P26.8Very low29.6Very low113 Ų113131 Ų13173%0.73473%0.725SS**  trans-95.8166.6-172.836.8-35.1000113.9
221L24.2Very low28.4Very low161 Ų161135.6 Ų135.684%0.84376%0.755SS**  trans12.6116.5159.2-68.882.5000118.8
222G24.1Very low27.7Very low68 Ų68132.8 Ų132.870%0.70176%0.756SS**  119.7147.210300000120.3
223S25.6Very low27.5Very low118 Ų118139.1 Ų139.183%0.82577%0.765SS**  trans82.5141.1156.982.40000120.8
224R26.4Very low28Very low230 Ų230135 Ų13587%0.86876%0.757SS**  trans66.4106.2152-85178.8152.1158.4-7.3121.9
225S25.1Very low28.1Very low90 Ų90132.6 Ų132.663%0.62976%0.759SS**  54110.8112.5-59.90000121.6
226E24.6Very low28.3Very low159 Ų159128.8 Ų128.874%0.74376%0.762SS**  78.1151.5120.5-65.5173.3-164.600122.2
227N27.6Very low28.4Very low122 Ų122128 Ų12865%0.65276%0.759SS**  trans83.7110.1157.7-59.3-40.1000117.8
228I27.2Very low28.4Very low139 Ų139128 Ų12871%0.71376%0.757SS**  78.385.7101.4-69.3166.5000109.7
229S25.6Very low28.5Very low92 Ų92128.1 Ų128.164%0.64375%0.754SS**  75.2133.583.480.70000114.3
230D30Very low28.3Very low134 Ų134128 Ų12872%0.71775%0.753SS**  171.1139.3121.1-90.69.1000114.7
231T34.1Very low28.4Very low139 Ų139126.6 Ų126.685%0.85375%0.75SS**  trans60.9152.2158.1620000120
232A32.5Very low28.7Very low84 Ų84124.3 Ų124.369%0.69475%0.748SS**  cis-160.1125.1-25.100000107.5
233K31.6Very low29Very low198 Ų198125.3 Ų125.386%0.86174%0.744SS**  54.8145.597.6-90.2-169.8178.5-179.80116.8
234P38.4Very low29.4Very low99 Ų99122.3 Ų122.364%0.64372%0.721SS**  cis-141.7175.2-49.138.2-20000113.4
235N30.7Very low30Very low166 Ų166115.1 Ų115.189%0.88871%0.706SS**  trans171.6149.7133.6-91.2-23.3000112.1
236G30.7Very low30.8Very low78 Ų78114.5 Ų114.580%0.80470%0.702SS**  trans106.888.1173.300000114.7
237S27.9Very low32.1Very low104 Ų104109.7 Ų109.773%0.72768%0.681SS**  trans-64.8143.3162.9-159.30000108.8
238I29.4Very low33.7Very low150 Ų150108 Ų10877%0.76967%0.669SS**  -156.6126.578.3-84154000111.8
239N28.2Very low35.7Very low127 Ų127107.6 Ų107.668%0.67966%0.664SS**  trans48.385.2146.9-53.8-2.3000120.8
240S24.4Very low38Very low118 Ų118104.7 Ų104.783%0.82565%0.648SS**  41.799.4121.762.10000120.1
241A28.2Very low40.4Very low82 Ų8298.5 Ų98.568%0.67862%0.615SS**  trans-152.6-15.9161.100000115.6S243A241-S243 PolarHBondContact O-N 3.29Å
242S29.9Very low42.6Very low113 Ų11396 Ų9679%0.7960%0.596SS**THydrogen-bonded Turntrans-85.9-0.1-158.946.20000117.3
243S30.1Very low44.8Very low89 Ų8997.2 Ų97.262%0.62259%0.59SS**THydrogen-bonded Turntrans-93.8-0.6178.863.10000114.6A241A241-S243 PolarHBondContact O-N 3.29Å
244V34.5Very low47.5Very low55 Ų5588.6 Ų88.633%0.33355%0.552SS.*SBendtrans-88.4-29.1-171.5-179.70000112.4Q248V244-Q248 WeakPolarHBondContact O-CB 3.21Å; V244-Q248 PolarHBondContact O-N 3.01Å; V244-Q248 VanDerWaalsContact O-N 3.16Å
245S40Very low49.8Very low79 Ų7985.8 Ų85.855%0.55253%0.53SS*.Hα-helixtrans-64.1-47.4-169.241.90000114.3Q248 E249S245-Q248 PolarHBondContact O-N 3.09Å; S245-E249 PolarHBondContact O-N 3.19Å
246S41.7Very low52.2Low78 Ų7882.4 Ų82.455%0.54551%0.511SS..Hα-helixtrans-66-39.3-178.351.40000113Q248 G250S246-Q248 VanDerWaalsContact C-N 3.33Å; S246-G250 PolarHBondContact O-N 3.33Å; S246-G250 VanDerWaalsContact O-N 3.08Å
247N52Low54.9Low57 Ų5783.8 Ų83.831%0.30550%0.495SS..Hα-helixtrans-66-37.3175.5-70.1-16.2000111.5F251N247-F251 WeakPolarHBondContact O-CB 3.34Å; N247-F251 PolarHBondContact O-N 3.17Å
248Q61.6Low57.8Low88 Ų8878.8 Ų78.841%0.41146%0.46SS..Hα-helixtrans-70-39.3179.4-168.1170.316.100112.3V244 S245 S246 F251 L252 F327V244-Q248 WeakPolarHBondContact O-CB 3.21Å; V244-Q248 PolarHBondContact O-N 3.01Å; V244-Q248 VanDerWaalsContact O-N 3.16Å; S245-Q248 PolarHBondContact O-N 3.09Å; S246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-F251 PolarHBondContact O-N 2.84Å; Q248-L252 WeakPolarHBondContact O-CG 3.44Å; Q248-L252 PolarHBondContact O-N 3.27Å; Q248-F327 HydrophobicContact CG-CE2 4.48Å
249E67.9Low60.5Low130 Ų13072.3 Ų72.361%0.60743%0.427SS*.Hα-helixtrans-65.4-46.8174.1-176169.9-151.700111.9S245 F251 L252 I253S245-E249 PolarHBondContact O-N 3.19Å; E249-F251 VanDerWaalsContact C-N 3.29Å; E249-F251 PolarHBondContact O-N 3.15Å; E249-L252 PolarHBondContact O-N 2.91Å; E249-L252 VanDerWaalsContact O-N 3.16Å; E249-I253 HydrophobicContact CG-CD1 3.99Å; E249-I253 WeakPolarHBondContact O-CG1 3.34Å; E249-I253 PolarHBondContact O-N 3.28Å
250G74Confident63.2Low30 Ų3068.2 Ų68.231%0.30940%0.404SS..Hα-helixtrans-59.7-37.3175.100000113.3S246 W254S246-G250 PolarHBondContact O-N 3.33Å; S246-G250 VanDerWaalsContact O-N 3.08Å; G250-W254 WeakPolarHBondContact O-CB 3.24Å; G250-W254 PolarHBondContact O-N 3.33Å
251F81.1Confident66.4Low5 Ų563 Ų632%0.02237%0.366CS..Hα-helixtrans-65.7-42.6173.5175-108.6000113N247 Q248 E249 W254 K255 P323 T325 F327 M330 I331N247-F251 WeakPolarHBondContact O-CB 3.34Å; N247-F251 PolarHBondContact O-N 3.17Å; Q248-F251 PolarHBondContact O-N 2.84Å; E249-F251 VanDerWaalsContact C-N 3.29Å; E249-F251 PolarHBondContact O-N 3.15Å; F251-W254 HydrophobicContact CD2-CE3 4.11Å; F251-W254 HydrophobicContact CD2-CZ3 4.45Å; F251-W254 HydrophobicContact CE2-CE3 4.02Å; F251-W254 AromaticContact CE2-CZ3 3.92Å; F251-W254 HydrophobicContact CE2-CZ3 3.92Å; F251-W254 PolarHBondContact O-N 3.16Å; F251-K255 VanDerWaalsContact O-CB 3.29Å; F251-K255 WeakPolarHBondContact O-CB 3.36Å; F251-K255 PolarHBondContact O-N 3.09Å; F251-P323 HydrophobicContact CB-CG 4.46Å; F251-T325 HydrophobicContact CD2-CG2 3.9Å; F251-T325 HydrophobicContact CE2-CG2 4.22Å; F251-T325 HydrophobicContact CG-CG2 4.49Å; F251-T325 WeakPolarHBondContact CG-OG1 3.23Å; F251-F327 HydrophobicContact CD1-CD2 4.33Å; F251-F327 HydrophobicContact CE1-CD2 4.34Å; F251-M330 HydrophobicContact CE1-CE 3.96Å; F251-M330 HydrophobicContact CE1-SD 3.72Å; F251-M330 HydrophobicContact CZ-CB 4.14Å; F251-M330 HydrophobicContact CZ-CE 3.97Å; F251-M330 HydrophobicContact CZ-CG 3.89Å; F251-M330 HydrophobicContact CZ-SD 3.7Å; F251-I331 HydrophobicContact CD2-CG1 4.41Å; F251-I331 HydrophobicContact CE2-CG1 3.83Å
252L79.2Confident69.4Low85 Ų8559.1 Ų59.145%0.44534%0.335SS..Hα-helixtrans-63.9-45.9176.9-72.2167.7000111.6Q248 E249 W254 K255 D256Q248-L252 WeakPolarHBondContact O-CG 3.44Å; Q248-L252 PolarHBondContact O-N 3.27Å; E249-L252 PolarHBondContact O-N 2.91Å; E249-L252 VanDerWaalsContact O-N 3.16Å; L252-W254 VanDerWaalsContact C-N 3.34Å; L252-W254 PolarHBondContact O-N 3.18Å; L252-K255 WeakPolarHBondContact O-CB 3.22Å; L252-K255 PolarHBondContact O-N 3.48Å; L252-D256 PolarHBondContact O-N 2.95Å
253I80.5Confident72.1Confident110 Ų11056.3 Ų56.356%0.56431%0.309SS*.Hα-helixtrans-62-41.1177.4-65.1166.5000111.4E249 K257E249-I253 HydrophobicContact CG-CD1 3.99Å; E249-I253 WeakPolarHBondContact O-CG1 3.34Å; E249-I253 PolarHBondContact O-N 3.28Å; I253-K257 WeakPolarHBondContact O-CB 3.18Å; I253-K257 PolarHBondContact O-N 3.26Å
254W88Confident74.9Confident17 Ų1753.6 Ų53.66%0.06429%0.285CS..Hα-helixtrans-63.8-46.8173.4171.389.7000111.7G250 F251 L252 K257 V258 L318 L319 P322 P323 I331 I334 V335G250-W254 WeakPolarHBondContact O-CB 3.24Å; G250-W254 PolarHBondContact O-N 3.33Å; F251-W254 HydrophobicContact CD2-CE3 4.11Å; F251-W254 HydrophobicContact CD2-CZ3 4.45Å; F251-W254 HydrophobicContact CE2-CE3 4.02Å; F251-W254 AromaticContact CE2-CZ3 3.92Å; F251-W254 HydrophobicContact CE2-CZ3 3.92Å; F251-W254 PolarHBondContact O-N 3.16Å; L252-W254 VanDerWaalsContact C-N 3.34Å; L252-W254 PolarHBondContact O-N 3.18Å; W254-K257 PolarHBondContact O-N 3.1Å; W254-V258 HydrophobicContact CD2-CG2 4.16Å; W254-V258 HydrophobicContact CG-CG2 4.49Å; W254-V258 HydrophobicContact CZ2-CG2 3.99Å; W254-V258 WeakPolarHBondContact O-CG2 3.3Å; W254-V258 PolarHBondContact O-N 3.34Å; W254-L318 PolarHBondContact NE1-O 3.28Å; W254-L319 HydrophobicContact CZ2-CD2 4.5Å; W254-P322 HydrophobicContact CD2-CB 4.46Å; W254-P322 HydrophobicContact CH2-CB 4.34Å; W254-P322 HydrophobicContact CZ2-CB 3.73Å; W254-P323 HydrophobicContact CB-CG 3.62Å; W254-P323 VanDerWaalsContact CD1-CD 3.43Å; W254-P323 HydrophobicContact CD2-CG 4.38Å; W254-P323 HydrophobicContact CG-CG 3.88Å; W254-I331 HydrophobicContact CH2-CG1 4.26Å; W254-I331 HydrophobicContact CH2-CG2 4.21Å; W254-I331 HydrophobicContact CZ3-CG1 4.19Å; W254-I334 HydrophobicContact CH2-CG2 4.29Å; W254-I334 HydrophobicContact CZ3-CD1 4.26Å; W254-V335 HydrophobicContact CH2-CG2 4.4Å; W254-V335 HydrophobicContact CZ2-CG2 4.47Å
255K85.6Confident77.6Confident41 Ų4151 Ų5118%0.17827%0.269CS..Hα-helixtrans-57.2-59.1-179.5-174.7-154.8176.7-166.10109.5F251 L252 K257 V258 M259 M330 I334F251-K255 VanDerWaalsContact O-CB 3.29Å; F251-K255 WeakPolarHBondContact O-CB 3.36Å; F251-K255 PolarHBondContact O-N 3.09Å; L252-K255 WeakPolarHBondContact O-CB 3.22Å; L252-K255 PolarHBondContact O-N 3.48Å; K255-K257 PolarHBondContact O-N 3.42Å; K255-V258 CarbonylContact O-C 3.59Å; K255-V258 WeakPolarHBondContact O-CA 3.29Å; K255-V258 PolarHBondContact O-N 2.87Å; K255-M259 HydrophobicContact CG-CG 4.13Å; K255-M259 VanDerWaalsContact O-CG 3.27Å; K255-M259 WeakPolarHBondContact O-CG 3.34Å; K255-M259 PolarHBondContact O-N 3.49Å; K255-M330 HydrophobicContact CD-CE 3.76Å; K255-I334 HydrophobicContact CG-CD1 3.94Å
256D82Confident79.9Confident95 Ų9550 Ų5051%0.50825%0.253SS..Hα-helixtrans-59.5-37.9-174.5-65.8-14.4000111.2L252 M259 E260L252-D256 PolarHBondContact O-N 2.95Å; D256-M259 PolarHBondContact O-N 3.41Å; D256-E260 WeakPolarHBondContact O-CB 3.32Å; D256-E260 PolarHBondContact O-N 3.46Å
257K86.5Confident82Confident106 Ų10649 Ų4946%0.46124%0.244SC..Hα-helixtrans-64.4-38.8172.7-171.4174.7-175.5177.60113.6I253 W254 K255 L261 L318I253-K257 WeakPolarHBondContact O-CB 3.18Å; I253-K257 PolarHBondContact O-N 3.26Å; W254-K257 PolarHBondContact O-N 3.1Å; K255-K257 PolarHBondContact O-N 3.42Å; K257-L261 HydrophobicContact CG-CD1 4.21Å; K257-L261 WeakPolarHBondContact O-CB 3.48Å; K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.08Å; K257-L261 PolarHBondContact O-N 3.46Å; K257-L318 HydrophobicContact CD-CD1 3.96Å; K257-L318 HydrophobicContact CG-CD1 4Å
258V89.8Confident83.8Confident0 Ų046.6 Ų46.60%023%0.231CC..Hα-helixtrans-69.7-41.9175.6167.50000111.2W254 K255 L261 A262 I315 L318 L319 I334 M340W254-V258 HydrophobicContact CD2-CG2 4.16Å; W254-V258 HydrophobicContact CG-CG2 4.49Å; W254-V258 HydrophobicContact CZ2-CG2 3.99Å; W254-V258 WeakPolarHBondContact O-CG2 3.3Å; W254-V258 PolarHBondContact O-N 3.34Å; K255-V258 CarbonylContact O-C 3.59Å; K255-V258 WeakPolarHBondContact O-CA 3.29Å; K255-V258 PolarHBondContact O-N 2.87Å; V258-L261 PolarHBondContact O-N 2.91Å; V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.16Å; V258-A262 PolarHBondContact O-N 3.44Å; V258-I315 HydrophobicContact CG1-CD1 4.31Å; V258-L318 HydrophobicContact CG2-CB 3.99Å; V258-L318 HydrophobicContact CG2-CD1 4.22Å; V258-L319 HydrophobicContact CG1-CD2 3.98Å; V258-I334 HydrophobicContact CG1-CG2 3.65Å; V258-M340 HydrophobicContact CG1-CE 4.09Å
259M86.2Confident85.1Confident14 Ų1443.6 Ų43.67%0.06922%0.216CC..Hα-helixtrans-63.3-43.8176.5-57.6-55.9-65.900111.6K255 D256 A262 H263 I334 L360 L361K255-M259 HydrophobicContact CG-CG 4.13Å; K255-M259 VanDerWaalsContact O-CG 3.27Å; K255-M259 WeakPolarHBondContact O-CG 3.34Å; K255-M259 PolarHBondContact O-N 3.49Å; D256-M259 PolarHBondContact O-N 3.41Å; M259-A262 PolarHBondContact O-N 3.32Å; M259-H263 WeakPolarHBondContact O-CB 3.47Å; M259-H263 PolarHBondContact O-N 3.23Å; M259-I334 HydrophobicContact SD-CD1 4.39Å; M259-L360 VanDerWaalsContact CE-C 3.42Å; M259-L360 VanDerWaalsContact CE-CA 3.48Å; M259-L360 HydrophobicContact CE-CB 4.16Å; M259-L360 HydrophobicContact CE-CD2 4.39Å; M259-L360 HydrophobicContact SD-CD2 4.2Å; M259-L361 HydrophobicContact CE-CB 3.72Å; M259-L361 WeakPolarHBondContact CE-O 3.28Å
260E85Confident86Confident40 Ų4040.1 Ų40.119%0.18721%0.209CC..Hα-helixtrans-64.5-41.9178-171.576.6170.100111.8D256 R264 P363 R509D256-E260 WeakPolarHBondContact O-CB 3.32Å; D256-E260 PolarHBondContact O-N 3.46Å; E260-R264 PolarHBondContact O-N 2.94Å; E260-R264 IonicContact OE1-CZ 2.84Å; E260-R264 IonicContact OE1-NH1 3.56Å; E260-R264 PolarHBondContact OE1-NH1 3.13Å; E260-R264 IonicContact OE1-NH2 3.76Å; E260-P363 WeakPolarHBondContact OE2-CB 3.4Å; E260-P363 WeakPolarHBondContact OE2-CG 3.43Å; E260-R509 IonicContact OE1-CZ 2.75Å; E260-R509 IonicContact OE1-NE 2.79Å; E260-R509 IonicContact OE1-NH2 2.69Å; E260-R509 PolarHBondContact OE1-NH2 3.32Å; E260-R509 IonicContact OE2-NH2 2.69Å; E260-R509 PolarHBondContact OE2-NH2 3.13Å
261L91.1Very high86.5Confident8 Ų842.3 Ų42.34%0.04221%0.214CC..Hα-helixtrans-69.5-38.2174.4-76.1169.9000112.5K257 V258 R264 L265 F311 I315 L318 L526K257-L261 HydrophobicContact CG-CD1 4.21Å; K257-L261 WeakPolarHBondContact O-CB 3.48Å; K257-L261 VanDerWaalsContact O-CG 3.31Å; K257-L261 WeakPolarHBondContact O-CG 3.08Å; K257-L261 PolarHBondContact O-N 3.46Å; V258-L261 PolarHBondContact O-N 2.91Å; L261-R264 PolarHBondContact O-N 3.08Å; L261-L265 WeakPolarHBondContact O-CB 3.38Å; L261-L265 WeakPolarHBondContact O-CG 3.25Å; L261-L265 PolarHBondContact O-N 3.42Å; L261-F311 HydrophobicContact CD2-CD1 4.38Å; L261-I315 HydrophobicContact CB-CB 4.38Å; L261-I315 HydrophobicContact CB-CD1 3.85Å; L261-I315 HydrophobicContact CB-CG1 4.08Å; L261-I315 HydrophobicContact CD1-CB 4.32Å; L261-I315 HydrophobicContact CD1-CG1 4.3Å; L261-L318 HydrophobicContact CD1-CD1 3.56Å; L261-L526 HydrophobicContact CD2-CD1 3.88Å; L261-L526 HydrophobicContact CD2-CD2 4.29Å
262A90.4Very high86.9Confident1 Ų142.2 Ų42.21%0.00821%0.213CC..Hα-helixtrans-64.8-39.6174.800000111.5V258 M259 L265 R266 I315 M340 L343 L360V258-A262 VanDerWaalsContact O-CB 3.26Å; V258-A262 WeakPolarHBondContact O-CB 3.16Å; V258-A262 PolarHBondContact O-N 3.44Å; M259-A262 PolarHBondContact O-N 3.32Å; A262-L265 PolarHBondContact O-N 3.01Å; A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 PolarHBondContact O-N 2.78Å; A262-I315 HydrophobicContact CB-CD1 4.34Å; A262-M340 HydrophobicContact CB-CE 4.08Å; A262-L343 HydrophobicContact CB-CD1 4.13Å; A262-L360 HydrophobicContact CB-CD1 4.38Å
263H87.8Confident87.1Confident54 Ų5441.2 Ų41.225%0.2521%0.211CC..Hα-helixtrans-62.5-47.2172.4-178.485.6000111.9M259 L265 R266 V267 P363M259-H263 WeakPolarHBondContact O-CB 3.47Å; M259-H263 PolarHBondContact O-N 3.23Å; H263-L265 PolarHBondContact O-N 3.2Å; H263-R266 WeakPolarHBondContact O-CB 3.11Å; H263-R266 PolarHBondContact O-N 3.06Å; H263-V267 WeakPolarHBondContact O-CG2 3.38Å; H263-V267 PolarHBondContact O-N 3.11Å; H263-P363 HydrophobicContact CB-CG 3.85Å
264R89Confident87.1Confident33 Ų3337.5 Ų37.513%0.12520%0.199CC..Hα-helixtrans-63.2-39.2176.1-75.8-168.5168.180.28.2112.7E260 L261 R266 V267 E268 F311 E460 Y507E260-R264 PolarHBondContact O-N 2.94Å; E260-R264 IonicContact OE1-CZ 2.84Å; E260-R264 IonicContact OE1-NH1 3.56Å; E260-R264 PolarHBondContact OE1-NH1 3.13Å; E260-R264 IonicContact OE1-NH2 3.76Å; L261-R264 PolarHBondContact O-N 3.08Å; R264-R266 PolarHBondContact O-N 3.09Å; R264-V267 PolarHBondContact O-N 2.57Å; R264-E268 VanDerWaalsContact O-CB 3.3Å; R264-E268 WeakPolarHBondContact O-CB 3.4Å; R264-E268 PolarHBondContact O-N 3.07Å; R264-F311 HydrophobicContact CB-CD2 4.25Å; R264-F311 HydrophobicContact CB-CE1 4.42Å; R264-F311 HydrophobicContact CB-CE2 4.05Å; R264-F311 HydrophobicContact CB-CZ 4.15Å; R264-E460 IonicContact CZ-OE1 2.75Å; R264-E460 IonicContact CZ-OE2 3.51Å; R264-E460 IonicContact NH2-OE1 3.48Å; R264-E460 PolarHBondContact NH2-OE1 3.13Å; R264-E460 IonicContact NH2-OE2 3.42Å; R264-E460 PolarHBondContact NH2-OE2 3.07Å; R264-Y507 VanDerWaalsContact NE-CG 3.3Å; R264-Y507 VanDerWaalsContact NH2-CB 3.32Å
265L90.4Very high86.9Confident0 Ų037.8 Ų37.80%020%0.204CC..Hα-helixtrans-59.1-43.7171.2-79.9167.2000112.5L261 A262 H263 R269 L308 F311 Q312 I315 L343L261-L265 WeakPolarHBondContact O-CB 3.38Å; L261-L265 WeakPolarHBondContact O-CG 3.25Å; L261-L265 PolarHBondContact O-N 3.42Å; A262-L265 PolarHBondContact O-N 3.01Å; H263-L265 PolarHBondContact O-N 3.2Å; L265-R269 WeakPolarHBondContact O-CB 3.13Å; L265-R269 PolarHBondContact O-N 3.33Å; L265-L308 HydrophobicContact CD2-CD1 3.91Å; L265-F311 HydrophobicContact CD2-CB 3.5Å; L265-F311 VanDerWaalsContact CD2-CB 3.5Å; L265-F311 HydrophobicContact CG-CB 3.76Å; L265-Q312 HydrophobicContact CD2-CG 3.66Å; L265-I315 HydrophobicContact CD1-CB 4.33Å; L265-I315 HydrophobicContact CD1-CD1 3.98Å; L265-I315 HydrophobicContact CD1-CG2 3.79Å; L265-L343 HydrophobicContact CB-CB 4.25Å; L265-L343 HydrophobicContact CB-CD1 4.25Å; L265-L343 HydrophobicContact CB-CD2 4.14Å; L265-L343 HydrophobicContact CB-CG 4.44Å; L265-L343 HydrophobicContact CD1-CB 4.4Å
266R88.3Confident86.7Confident58 Ų5839.5 Ų39.522%0.21921%0.211CC..Hα-helixtrans-62-45.9179.2-172.2-170.1-69.9134-15.6111.3A262 H263 R264 A270 E339 L343 L360A262-R266 WeakPolarHBondContact O-CB 3.34Å; A262-R266 PolarHBondContact O-N 2.78Å; H263-R266 WeakPolarHBondContact O-CB 3.11Å; H263-R266 PolarHBondContact O-N 3.06Å; R264-R266 PolarHBondContact O-N 3.09Å; R266-A270 PolarHBondContact O-N 3.28Å; R266-E339 IonicContact CZ-OE1 2.72Å; R266-E339 IonicContact CZ-OE2 3.93Å; R266-E339 IonicContact NE-OE1 2.69Å; R266-E339 PolarHBondContact NE-OE1 3.27Å; R266-E339 IonicContact NE-OE2 2.62Å; R266-E339 IonicContact NH2-OE1 3.31Å; R266-E339 PolarHBondContact NH2-OE1 3.29Å; R266-E339 IonicContact NH2-OE2 3.74Å; R266-E339 PolarHBondContact NH2-OE2 2.61Å; R266-L343 HydrophobicContact CB-CD2 4.02Å; R266-L360 PolarHBondContact NH2-O 2.96Å
267V86.5Confident86.7Confident57 Ų5738.5 Ų38.535%0.34520%0.202SC..Hα-helixtrans-66-51.7176.8174.80000111.1H263 R264 R269 A270 L271H263-V267 WeakPolarHBondContact O-CG2 3.38Å; H263-V267 PolarHBondContact O-N 3.11Å; R264-V267 PolarHBondContact O-N 2.57Å; V267-R269 VanDerWaalsContact C-N 3.33Å; V267-R269 PolarHBondContact O-N 3.07Å; V267-A270 WeakPolarHBondContact O-CB 3.4Å; V267-A270 PolarHBondContact O-N 3.06Å; V267-A270 VanDerWaalsContact O-N 3.12Å; V267-L271 HydrophobicContact CG1-CD1 4.07Å; V267-L271 HydrophobicContact CG1-CG 4.37Å; V267-L271 WeakPolarHBondContact O-CG 3.16Å; V267-L271 PolarHBondContact O-N 3.49Å
268E89.8Confident86.4Confident6 Ų635.7 Ų35.73%0.02820%0.199CC..Hα-helixtrans-66.1-34.1-175.6-15969.1-139.500112.7R264 A270 L271 F272 S304 R307 L308 F311R264-E268 VanDerWaalsContact O-CB 3.3Å; R264-E268 WeakPolarHBondContact O-CB 3.4Å; R264-E268 PolarHBondContact O-N 3.07Å; E268-A270 VanDerWaalsContact C-N 3.34Å; E268-L271 PolarHBondContact O-N 3.13Å; E268-F272 WeakPolarHBondContact O-CB 3.48Å; E268-F272 PolarHBondContact O-N 2.9Å; E268-S304 WeakPolarHBondContact OE1-CA 3.37Å; E268-S304 VanDerWaalsContact OE1-CB 3.24Å; E268-S304 WeakPolarHBondContact OE1-CB 3.49Å; E268-S304 PolarHBondContact OE1-OG 3.27Å; E268-R307 VanDerWaalsContact CD-CB 3.41Å; E268-R307 HydrophobicContact CG-CB 3.62Å; E268-R307 IonicContact OE1-NH1 3.77Å; E268-R307 PolarHBondContact OE1-NH1 2.84Å; E268-R307 VanDerWaalsContact OE2-CD 3.23Å; E268-R307 WeakPolarHBondContact OE2-CD 3.18Å; E268-L308 HydrophobicContact CG-CB 4.08Å; E268-F311 HydrophobicContact CB-CD2 4.05Å; E268-F311 HydrophobicContact CB-CE2 3.92Å; E268-F311 HydrophobicContact CG-CD2 4.29Å; E268-F311 HydrophobicContact CG-CE2 4.01Å
269R88.8Confident85.9Confident25 Ų2535.8 Ų35.89%0.09420%0.2CC..Hα-helixtrans-67.4-35.8175-162.9172.5-167.4-98.4-7.4111.4L265 V267 V273 L308 S345 S349 T351L265-R269 WeakPolarHBondContact O-CB 3.13Å; L265-R269 PolarHBondContact O-N 3.33Å; V267-R269 VanDerWaalsContact C-N 3.33Å; V267-R269 PolarHBondContact O-N 3.07Å; R269-V273 VanDerWaalsContact O-CG2 3.29Å; R269-V273 WeakPolarHBondContact O-CG2 3.35Å; R269-V273 PolarHBondContact O-N 3.01Å; R269-V273 VanDerWaalsContact O-N 3.14Å; R269-L308 HydrophobicContact CB-CD1 3.94Å; R269-L308 HydrophobicContact CG-CD1 4.38Å; R269-L308 HydrophobicContact CG-CD2 4.38Å; R269-S345 PolarHBondContact NH2-OG 2.61Å; R269-S345 VanDerWaalsContact NH2-OG 3.1Å; R269-S349 PolarHBondContact NH2-O 3.45Å; R269-T351 PolarHBondContact NH1-O 3.49Å
270A85.6Confident85.6Confident58 Ų5837.3 Ų37.348%0.47921%0.212SC..Hα-helixtrans-68.1-44.6172.600000111.8R266 V267 E268 V273 G274R266-A270 PolarHBondContact O-N 3.28Å; V267-A270 WeakPolarHBondContact O-CB 3.4Å; V267-A270 PolarHBondContact O-N 3.06Å; V267-A270 VanDerWaalsContact O-N 3.12Å; E268-A270 VanDerWaalsContact C-N 3.34Å; A270-V273 PolarHBondContact O-N 2.87Å; A270-G274 PolarHBondContact O-N 2.69Å
271L86Confident85.2Confident76 Ų7637.9 Ų37.940%0.39822%0.223SC..Hα-helixtrans-57.8-51.2174.5-70176.4000111.5V267 E268 V273 G274 S275V267-L271 HydrophobicContact CG1-CD1 4.07Å; V267-L271 HydrophobicContact CG1-CG 4.37Å; V267-L271 WeakPolarHBondContact O-CG 3.16Å; V267-L271 PolarHBondContact O-N 3.49Å; E268-L271 PolarHBondContact O-N 3.13Å; L271-V273 VanDerWaalsContact C-N 3.33Å; L271-V273 PolarHBondContact O-N 2.95Å; L271-G274 WeakPolarHBondContact O-CA 3.45Å; L271-G274 PolarHBondContact O-N 3.26Å; L271-G274 VanDerWaalsContact O-N 3.08Å; L271-S275 PolarHBondContact O-N 3.15Å; L271-S275 PolarHBondContact O-OG 3.37Å
272F87.7Confident84.4Confident3 Ų339.3 Ų39.31%0.01323%0.232CC..Hα-helixtrans-59.2-40.7178.6175.7-111.4000112.8E268 K276 A301 L305 L308 P347 L396E268-F272 WeakPolarHBondContact O-CB 3.48Å; E268-F272 PolarHBondContact O-N 2.9Å; F272-K276 WeakPolarHBondContact O-CB 3.37Å; F272-K276 PolarHBondContact O-N 2.84Å; F272-A301 WeakPolarHBondContact CD2-O 3.34Å; F272-L305 HydrophobicContact CD2-CB 3.91Å; F272-L305 HydrophobicContact CE1-CD1 4.27Å; F272-L305 HydrophobicContact CE2-CB 3.72Å; F272-L305 HydrophobicContact CE2-CD1 4.02Å; F272-L305 HydrophobicContact CE2-CD2 4.34Å; F272-L305 HydrophobicContact CE2-CG 4.23Å; F272-L305 HydrophobicContact CZ-CB 4.45Å; F272-L305 HydrophobicContact CZ-CD1 3.89Å; F272-L308 HydrophobicContact CB-CD2 4.43Å; F272-L308 HydrophobicContact CD1-CD2 4.16Å; F272-L308 HydrophobicContact CG-CD2 4.45Å; F272-P347 HydrophobicContact CD1-CB 4.49Å; F272-P347 HydrophobicContact CE1-CB 4.05Å; F272-P347 WeakPolarHBondContact CE1-O 3.47Å; F272-L396 HydrophobicContact CE2-CD2 4.1Å; F272-L396 HydrophobicContact CZ-CD2 4.45Å
273V84Confident83.4Confident64 Ų6442 Ų4239%0.38825%0.246SC..Hα-helixtrans-63.6-42.6174.4168.20000111.2R269 A270 L271 K276 K277R269-V273 VanDerWaalsContact O-CG2 3.29Å; R269-V273 WeakPolarHBondContact O-CG2 3.35Å; R269-V273 PolarHBondContact O-N 3.01Å; R269-V273 VanDerWaalsContact O-N 3.14Å; A270-V273 PolarHBondContact O-N 2.87Å; L271-V273 VanDerWaalsContact C-N 3.33Å; L271-V273 PolarHBondContact O-N 2.95Å; V273-K276 PolarHBondContact O-N 2.69Å; V273-K277 WeakPolarHBondContact O-CG 3.38Å; V273-K277 PolarHBondContact O-N 2.79Å
274G81.6Confident82.3Confident32 Ų3245.4 Ų45.433%0.3327%0.266SS..Hα-helixtrans-61.3-51.5174.800000112.8A270 L271 K276 K277 A278A270-G274 PolarHBondContact O-N 2.69Å; L271-G274 WeakPolarHBondContact O-CA 3.45Å; L271-G274 PolarHBondContact O-N 3.26Å; L271-G274 VanDerWaalsContact O-N 3.08Å; G274-K276 VanDerWaalsContact C-N 3.31Å; G274-K276 PolarHBondContact O-N 2.83Å; G274-K277 WeakPolarHBondContact O-CB 3.33Å; G274-K277 PolarHBondContact O-N 2.98Å; G274-A278 PolarHBondContact O-N 3.35Å
275S82.8Confident80.8Confident22 Ų2248.1 Ų48.115%0.15428%0.283CS..Hα-helixtrans-63.7-34.9177.9-55.20000112.3L271 A278 V279L271-S275 PolarHBondContact O-N 3.15Å; L271-S275 PolarHBondContact O-OG 3.37Å; S275-A278 PolarHBondContact O-N 3.27Å; S275-V279 WeakPolarHBondContact O-CG2 3.21Å; S275-V279 PolarHBondContact O-N 2.94Å
276K82.3Confident79Confident78 Ų7857.7 Ų57.734%0.33933%0.328SS..Hα-helixtrans-62.6-46.6172.3-175.1-173.9176.3-170.90111.5F272 V273 G274 A278 V279 S280F272-K276 WeakPolarHBondContact O-CB 3.37Å; F272-K276 PolarHBondContact O-N 2.84Å; V273-K276 PolarHBondContact O-N 2.69Å; G274-K276 VanDerWaalsContact C-N 3.31Å; G274-K276 PolarHBondContact O-N 2.83Å; K276-A278 VanDerWaalsContact C-N 3.32Å; K276-A278 PolarHBondContact O-N 3.06Å; K276-V279 PolarHBondContact O-N 3.31Å; K276-S280 PolarHBondContact O-N 3.48Å; K276-S280 PolarHBondContact O-OG 3.31Å
277K81.9Confident77.4Confident73 Ų7361.3 Ų61.332%0.31735%0.35SS..Hα-helixtrans-58.4-43.3172.9-70.3174.9-178.5-175.90111.4V273 G274 S280 A281 Y667 D668V273-K277 WeakPolarHBondContact O-CG 3.38Å; V273-K277 PolarHBondContact O-N 2.79Å; G274-K277 WeakPolarHBondContact O-CB 3.33Å; G274-K277 PolarHBondContact O-N 2.98Å; K277-S280 PolarHBondContact O-N 3Å; K277-A281 PolarHBondContact O-N 3Å; K277-Y667 VanDerWaalsContact NZ-CE1 3.28Å; K277-D668 IonicContact NZ-OD2 2.76Å; K277-D668 PolarHBondContact NZ-OD2 2.62Å
278A79.1Confident75.8Confident48 Ų4868.1 Ų68.140%0.39738%0.378SS..Hα-helixtrans-64.7-40.8179.200000112.6G274 S275 K276 A281 V282G274-A278 PolarHBondContact O-N 3.35Å; S275-A278 PolarHBondContact O-N 3.27Å; K276-A278 VanDerWaalsContact C-N 3.32Å; K276-A278 PolarHBondContact O-N 3.06Å; A278-A281 PolarHBondContact O-N 3.08Å; A278-V282 WeakPolarHBondContact O-CB 3.4Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.34Å; A278-V282 PolarHBondContact O-N 2.85Å
279V79.2Confident74.2Confident2 Ų270.3 Ų70.31%0.01239%0.392CS..Hα-helixtrans-60.8-47.3172.3166.30000110.9S275 K276 V282 L283 A297 L298 A301 L396S275-V279 WeakPolarHBondContact O-CG2 3.21Å; S275-V279 PolarHBondContact O-N 2.94Å; K276-V279 PolarHBondContact O-N 3.31Å; V279-V282 PolarHBondContact O-N 3.06Å; V279-V282 VanDerWaalsContact O-N 3.16Å; V279-L283 HydrophobicContact CG1-CD1 3.84Å; V279-L283 HydrophobicContact CG1-CG 4.37Å; V279-L283 WeakPolarHBondContact O-CG 3.43Å; V279-L283 PolarHBondContact O-N 2.86Å; V279-A297 HydrophobicContact CG2-CB 4.08Å; V279-A297 WeakPolarHBondContact CG2-O 3.39Å; V279-L298 HydrophobicContact CG1-CD2 3.62Å; V279-L298 HydrophobicContact CG1-CG 4.48Å; V279-L298 HydrophobicContact CG2-CD2 4.04Å; V279-L298 HydrophobicContact CG2-CG 4.38Å; V279-A301 HydrophobicContact CG2-CB 3.93Å; V279-L396 HydrophobicContact CG1-CB 4.43Å
280S79.5Confident73.1Confident46 Ų4673 Ų7332%0.32241%0.408SS..Hα-helixtrans-57.6-50.7175.6-62.80000112.1K276 K277 V282 L283 D284K276-S280 PolarHBondContact O-N 3.48Å; K276-S280 PolarHBondContact O-OG 3.31Å; K277-S280 PolarHBondContact O-N 3Å; S280-V282 PolarHBondContact O-N 2.64Å; S280-V282 VanDerWaalsContact O-N 3.11Å; S280-L283 WeakPolarHBondContact O-CA 3.42Å; S280-L283 PolarHBondContact O-N 3.45Å; S280-D284 VanDerWaalsContact O-CG 3.3Å; S280-D284 PolarHBondContact O-N 3.34Å
281A78Confident72.3Confident52 Ų5278.5 Ų78.543%0.4342%0.421SS..Hα-helixtrans-61.1-24178.200000113.9K277 A278 N285K277-A281 PolarHBondContact O-N 3Å; A278-A281 PolarHBondContact O-N 3.08Å; A281-N285 PolarHBondContact O-ND2 2.94Å
282V73.3Confident71.7Confident38 Ų3878.4 Ų78.423%0.2343%0.426CS..Hα-helixtrans-84.4-21.9173.5162.90000112.9A278 V279 S280 V289 K294A278-V282 WeakPolarHBondContact O-CB 3.4Å; A278-V282 VanDerWaalsContact O-CG2 3.31Å; A278-V282 WeakPolarHBondContact O-CG2 3.34Å; A278-V282 PolarHBondContact O-N 2.85Å; V279-V282 PolarHBondContact O-N 3.06Å; V279-V282 VanDerWaalsContact O-N 3.16Å; S280-V282 PolarHBondContact O-N 2.64Å; S280-V282 VanDerWaalsContact O-N 3.11Å; V282-V289 HydrophobicContact CG1-CG1 4.23Å; V282-K294 HydrophobicContact CG1-CB 3.83Å; V282-K294 HydrophobicContact CG1-CG 4.01Å
283L70.2Confident70.9Confident57 Ų5786 Ų8630%0.29846%0.455SS..Hα-helixtrans-86.9-39.8175.3-69.8173.1000112.7V279 S280 N285 K294V279-L283 HydrophobicContact CG1-CD1 3.84Å; V279-L283 HydrophobicContact CG1-CG 4.37Å; V279-L283 WeakPolarHBondContact O-CG 3.43Å; V279-L283 PolarHBondContact O-N 2.86Å; S280-L283 WeakPolarHBondContact O-CA 3.42Å; S280-L283 PolarHBondContact O-N 3.45Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.9Å; L283-K294 HydrophobicContact CD2-CD 4.35Å; L283-K294 VanDerWaalsContact CD2-CE 3.43Å
284D65.4Low70.3Confident125 Ų12587.1 Ų87.167%0.66846%0.455SS*.Hα-helixtrans-71.6-24.6-175.5-63.3-33.1000112.9S280 Q286S280-D284 VanDerWaalsContact O-CG 3.3Å; S280-D284 PolarHBondContact O-N 3.34Å; D284-Q286 PolarHBondContact O-N 3.42Å; D284-Q286 VanDerWaalsContact O-N 3.16Å
285N55.8Low70Confident90 Ų9089.6 Ų89.648%0.48146%0.46SS..  trans-77.199.7177.5-87.7-72.1000111.8A281 L283 I287 V289A281-N285 PolarHBondContact O-ND2 2.94Å; L283-N285 VanDerWaalsContact C-N 3.31Å; L283-N285 PolarHBondContact O-N 2.9Å; N285-I287 PolarHBondContact O-N 3Å; N285-V289 HydrophobicContact CB-CG2 4.44Å
286Q53.3Low69.8Low202 Ų20293.3 Ų93.394%0.94448%0.475SS*.  trans-64.76.9172.5-61.6-171-200114.7D284D284-Q286 PolarHBondContact O-N 3.42Å; D284-Q286 VanDerWaalsContact O-N 3.16Å
287I54Low69.6Low134 Ų13490.2 Ų90.269%0.68746%0.464SS*.SBendtrans-97.299.5-177.9-55.5172.2000109.3N285 V289N285-I287 PolarHBondContact O-N 3Å; I287-V289 VanDerWaalsContact C-N 3.31Å; I287-V289 WeakPolarHBondContact O-CG2 3.38Å; I287-V289 PolarHBondContact O-N 2.9Å
288H54.1Low69.6Low199 Ų19988.9 Ų88.992%0.92146%0.46SS*.  trans14.262.4165-115.6-69.2000116.9D290H288-D290 PolarHBondContact O-N 3.04Å
289V56Low69.8Low53 Ų5390 Ų9032%0.32146%0.457SS..  trans-72.5132.3178.8-1720000109.3V282 N285 I287 K291V282-V289 HydrophobicContact CG1-CG1 4.23Å; N285-V289 HydrophobicContact CB-CG2 4.44Å; I287-V289 VanDerWaalsContact C-N 3.31Å; I287-V289 WeakPolarHBondContact O-CG2 3.38Å; I287-V289 PolarHBondContact O-N 2.9Å; V289-K291 PolarHBondContact O-N 3.19Å
290D65Low69.9Low82 Ų8294.2 Ų94.244%0.43948%0.477SS..  trans-50.6119171.1177.8-2.8000110.6H288 S292 R293 K294H288-D290 PolarHBondContact O-N 3.04Å; D290-S292 PolarHBondContact O-N 3.16Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.43Å; D290-R293 HydrophobicContact CB-CG 4.19Å; D290-R293 PolarHBondContact O-N 2.85Å; D290-K294 PolarHBondContact O-N 3.03Å
291K69.4Low70.2Confident173 Ų17392 Ų9275%0.75246%0.461SS*.Hα-helixtrans-49.6-36.1178.8-73.8-172.7176.8-175.30111.4V289 K294 L295V289-K291 PolarHBondContact O-N 3.19Å; K291-K294 PolarHBondContact O-N 3.46Å; K291-L295 WeakPolarHBondContact O-CB 3.25Å; K291-L295 PolarHBondContact O-N 3.24Å
292S72.5Confident70.6Confident73 Ų7390.3 Ų90.351%0.5144%0.444SS..Hα-helixtrans-60.7-48.9178.7-172.70000112.2D290 K294 L295 Q296D290-S292 PolarHBondContact O-N 3.16Å; D290-S292 WeakPolarHBondContact OD1-CB 3.4Å; D290-S292 PolarHBondContact OD1-N 3.43Å; S292-K294 PolarHBondContact O-N 2.9Å; S292-L295 PolarHBondContact O-N 2.95Å; S292-Q296 PolarHBondContact O-N 3.17Å
293R71.5Confident71.3Confident162 Ų16289.9 Ų89.961%0.61144%0.439SS*.Hα-helixtrans-66.5-37.9-179.8-64.3-174.2-170.7167.46.3112.6D290 Q296 A297D290-R293 HydrophobicContact CB-CG 4.19Å; D290-R293 PolarHBondContact O-N 2.85Å; R293-Q296 PolarHBondContact O-N 3.45Å; R293-A297 WeakPolarHBondContact O-CB 3.36Å; R293-A297 PolarHBondContact O-N 3.35Å
294K71.3Confident72.2Confident89 Ų8987.6 Ų87.639%0.38743%0.428SS..Hα-helixtrans-63.7-43174.2177.9169.9174.1171.40111.4V282 L283 D290 K291 S292 L298V282-K294 HydrophobicContact CG1-CB 3.83Å; V282-K294 HydrophobicContact CG1-CG 4.01Å; L283-K294 HydrophobicContact CD2-CD 4.35Å; L283-K294 VanDerWaalsContact CD2-CE 3.43Å; D290-K294 PolarHBondContact O-N 3.03Å; K291-K294 PolarHBondContact O-N 3.46Å; S292-K294 PolarHBondContact O-N 2.9Å; K294-L298 HydrophobicContact CG-CD1 4.04Å; K294-L298 WeakPolarHBondContact O-CB 3.34Å; K294-L298 WeakPolarHBondContact O-CD1 3.29Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.49Å; K294-L298 PolarHBondContact O-N 2.87Å
295L75.5Confident73.4Confident84 Ų8481.7 Ų81.744%0.4440%0.396SS..Hα-helixtrans-63.2-45.2176.1-163.578.6000111.5K291 S292 L298 Q299K291-L295 WeakPolarHBondContact O-CB 3.25Å; K291-L295 PolarHBondContact O-N 3.24Å; S292-L295 PolarHBondContact O-N 2.95Å; L295-L298 PolarHBondContact O-N 3.42Å; L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.47Å; L295-Q299 PolarHBondContact O-N 2.84Å
296Q78.6Confident75.1Confident100 Ų10077.4 Ų77.447%0.46737%0.373SS..Hα-helixtrans-61-50.6178.9-177.7-179.2-10.400112.1S292 R293 L298 Q299 E300S292-Q296 PolarHBondContact O-N 3.17Å; R293-Q296 PolarHBondContact O-N 3.45Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 2.9Å; Q296-Q299 WeakPolarHBondContact O-CB 3.38Å; Q296-Q299 PolarHBondContact O-N 2.95Å; Q296-E300 HydrophobicContact CG-CG 4.43Å; Q296-E300 VanDerWaalsContact CG-OE1 3.3Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.41Å; Q296-E300 PolarHBondContact NE2-OE1 3.46Å; Q296-E300 WeakPolarHBondContact O-CG 3.35Å; Q296-E300 PolarHBondContact O-N 3.27Å
297A78.7Confident76.9Confident13 Ų1368.6 Ų68.611%0.10733%0.331CS..Hα-helixtrans-60.5-37.918000000112.4V279 R293 A301V279-A297 HydrophobicContact CG2-CB 4.08Å; V279-A297 WeakPolarHBondContact CG2-O 3.39Å; R293-A297 WeakPolarHBondContact O-CB 3.36Å; R293-A297 PolarHBondContact O-N 3.35Å; A297-A301 WeakPolarHBondContact O-CB 3.34Å; A297-A301 PolarHBondContact O-N 3.39Å; A297-A301 VanDerWaalsContact O-N 3.1Å
298L81.7Confident78.7Confident44 Ų4462.2 Ų62.223%0.2330%0.299CS..Hα-helixtrans-66.8-38.1173.7-73.5167.2000112.3V279 K294 L295 Q296 R302 L396V279-L298 HydrophobicContact CG1-CD2 3.62Å; V279-L298 HydrophobicContact CG1-CG 4.48Å; V279-L298 HydrophobicContact CG2-CD2 4.04Å; V279-L298 HydrophobicContact CG2-CG 4.38Å; K294-L298 HydrophobicContact CG-CD1 4.04Å; K294-L298 WeakPolarHBondContact O-CB 3.34Å; K294-L298 WeakPolarHBondContact O-CD1 3.29Å; K294-L298 VanDerWaalsContact O-CG 3.31Å; K294-L298 WeakPolarHBondContact O-CG 3.49Å; K294-L298 PolarHBondContact O-N 2.87Å; L295-L298 PolarHBondContact O-N 3.42Å; Q296-L298 VanDerWaalsContact C-N 3.28Å; Q296-L298 PolarHBondContact O-N 2.9Å; L298-R302 WeakPolarHBondContact O-CB 3.32Å; L298-R302 PolarHBondContact O-N 2.98Å; L298-L396 HydrophobicContact CD2-CB 4.01Å; L298-L396 HydrophobicContact CD2-CD1 4.32Å
299Q82Confident80.5Confident73 Ų7354.1 Ų54.134%0.34126%0.26SS..Hα-helixtrans-66.8-46.9176.2-74.7172.6-6.800111.8L295 Q296 A301 R302 E303 W500L295-Q299 VanDerWaalsContact O-CG 3.31Å; L295-Q299 WeakPolarHBondContact O-CG 3.47Å; L295-Q299 PolarHBondContact O-N 2.84Å; Q296-Q299 WeakPolarHBondContact O-CB 3.38Å; Q296-Q299 PolarHBondContact O-N 2.95Å; Q299-A301 PolarHBondContact O-N 2.86Å; Q299-R302 PolarHBondContact O-N 2.9Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; Q299-E303 PolarHBondContact O-N 3.03Å; Q299-W500 HydrophobicContact CG-CZ2 4.27Å
300E82.7Confident82.3Confident90 Ų9051.6 Ų51.642%0.42125%0.245SC..Hα-helixtrans-61.2-44.5178.2-70.6170.2-176.800112Q296 R302 S304Q296-E300 HydrophobicContact CG-CG 4.43Å; Q296-E300 VanDerWaalsContact CG-OE1 3.3Å; Q296-E300 WeakPolarHBondContact CG-OE1 3.41Å; Q296-E300 PolarHBondContact NE2-OE1 3.46Å; Q296-E300 WeakPolarHBondContact O-CG 3.35Å; Q296-E300 PolarHBondContact O-N 3.27Å; E300-R302 VanDerWaalsContact C-N 3.3Å; E300-R302 PolarHBondContact O-N 3.43Å; E300-S304 PolarHBondContact O-N 2.8Å; E300-S304 VanDerWaalsContact O-N 3.07Å; E300-S304 PolarHBondContact O-OG 2.74Å
301A85.3Confident83.6Confident0 Ų047.7 Ų47.70%022%0.224CC..Hα-helixtrans-62.7-35.217400000112.7F272 V279 A297 Q299 L305 L396F272-A301 WeakPolarHBondContact CD2-O 3.34Å; V279-A301 HydrophobicContact CG2-CB 3.93Å; A297-A301 WeakPolarHBondContact O-CB 3.34Å; A297-A301 PolarHBondContact O-N 3.39Å; A297-A301 VanDerWaalsContact O-N 3.1Å; Q299-A301 PolarHBondContact O-N 2.86Å; A301-L305 WeakPolarHBondContact O-CB 3.36Å; A301-L305 PolarHBondContact O-N 3.19Å; A301-L305 VanDerWaalsContact O-N 3.09Å; A301-L396 HydrophobicContact CB-CD1 3.92Å
302R86.5Confident84.7Confident15 Ų1539.9 Ų39.96%0.05719%0.19CC..Hα-helixtrans-75.8-40.6179.6-172.7165.5-179.7-94.9-1112.6L298 Q299 E300 S304 L305 H306 V392 L396 G497 W500 V501L298-R302 WeakPolarHBondContact O-CB 3.32Å; L298-R302 PolarHBondContact O-N 2.98Å; Q299-R302 PolarHBondContact O-N 2.9Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; E300-R302 VanDerWaalsContact C-N 3.3Å; E300-R302 PolarHBondContact O-N 3.43Å; R302-S304 VanDerWaalsContact C-N 3.34Å; R302-L305 PolarHBondContact O-N 2.96Å; R302-H306 PolarHBondContact O-CD2 2.75Å; R302-H306 VanDerWaalsContact O-CG 3.24Å; R302-H306 PolarHBondContact O-N 3.47Å; R302-H306 VanDerWaalsContact O-N 3.12Å; R302-H306 PolarHBondContact O-ND1 3.19Å; R302-V392 PolarHBondContact NH2-O 2.89Å; R302-L396 HydrophobicContact CB-CD1 4.1Å; R302-G497 PolarHBondContact NH1-O 2.9Å; R302-W500 PolarHBondContact NH1-O 3.42Å; R302-W500 PolarHBondContact NH2-O 3.13Å; R302-W500 VanDerWaalsContact NH2-O 3.07Å; R302-V501 VanDerWaalsContact NH2-CG2 3.29Å
303E88.3Confident85.6Confident30 Ų3039.2 Ų39.214%0.1418%0.179CC..Hα-helixtrans-60.5-44.4171.1-71.1-168.6-178.500111.2Q299 L305 H306 R307 R433 Y466 W500Q299-E303 PolarHBondContact O-N 3.03Å; E303-L305 PolarHBondContact O-N 2.83Å; E303-H306 WeakPolarHBondContact O-CB 3.3Å; E303-H306 PolarHBondContact O-N 3.12Å; E303-H306 VanDerWaalsContact O-N 3.09Å; E303-R307 PolarHBondContact O-N 2.77Å; E303-R307 IonicContact OE2-CZ 3.9Å; E303-R307 IonicContact OE2-NH1 2.72Å; E303-R307 IonicContact OE2-NH2 2.86Å; E303-R307 PolarHBondContact OE2-NH2 3.42Å; E303-R433 IonicContact OE1-CZ 3.82Å; E303-R433 IonicContact OE1-NH2 3.76Å; E303-R433 PolarHBondContact OE1-NH2 2.9Å; E303-R433 IonicContact OE2-NH2 3.67Å; E303-Y466 PolarHBondContact OE1-OH 3.11Å; E303-W500 HydrophobicContact CG-CH2 3.65Å; E303-W500 HydrophobicContact CG-CZ3 3.98Å
304S88.8Confident86.6Confident8 Ų832 Ų326%0.05615%0.154CC..Hα-helixtrans-66.8-36.5-178.6-51.10000112.4E268 E300 R302 H306 R307 L308E268-S304 WeakPolarHBondContact OE1-CA 3.37Å; E268-S304 VanDerWaalsContact OE1-CB 3.24Å; E268-S304 WeakPolarHBondContact OE1-CB 3.49Å; E268-S304 PolarHBondContact OE1-OG 3.27Å; E300-S304 PolarHBondContact O-N 2.8Å; E300-S304 VanDerWaalsContact O-N 3.07Å; E300-S304 PolarHBondContact O-OG 2.74Å; R302-S304 VanDerWaalsContact C-N 3.34Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.06Å; S304-R307 PolarHBondContact O-N 2.72Å; S304-L308 VanDerWaalsContact O-CB 3.27Å; S304-L308 WeakPolarHBondContact O-CB 3.28Å; S304-L308 PolarHBondContact O-N 3.48Å
305L90Very high87.7Confident1 Ų127.8 Ų27.81%0.00514%0.135CC..Hα-helixtrans-61.9-37.9170.8-176.857.8000112.1F272 A301 R302 E303 Y309 P347 I391 N394 L396F272-L305 HydrophobicContact CD2-CB 3.91Å; F272-L305 HydrophobicContact CE1-CD1 4.27Å; F272-L305 HydrophobicContact CE2-CB 3.72Å; F272-L305 HydrophobicContact CE2-CD1 4.02Å; F272-L305 HydrophobicContact CE2-CD2 4.34Å; F272-L305 HydrophobicContact CE2-CG 4.23Å; F272-L305 HydrophobicContact CZ-CB 4.45Å; F272-L305 HydrophobicContact CZ-CD1 3.89Å; A301-L305 WeakPolarHBondContact O-CB 3.36Å; A301-L305 PolarHBondContact O-N 3.19Å; A301-L305 VanDerWaalsContact O-N 3.09Å; R302-L305 PolarHBondContact O-N 2.96Å; E303-L305 PolarHBondContact O-N 2.83Å; L305-Y309 PolarHBondContact O-N 3.46Å; L305-P347 HydrophobicContact CD1-CB 3.61Å; L305-P347 HydrophobicContact CD1-CG 3.96Å; L305-I391 HydrophobicContact CG-CG2 4.38Å; L305-N394 HydrophobicContact CD2-CB 4.39Å; L305-L396 HydrophobicContact CD2-CD2 4.45Å
306H91.3Very high88.4Confident0 Ų026.4 Ų26.40%013%0.126CC..Hα-helixtrans-69.6-46.8176.2-61162.9000111.8R302 E303 S304 L308 Y309 L310 I391 L502R302-H306 PolarHBondContact O-CD2 2.75Å; R302-H306 VanDerWaalsContact O-CG 3.24Å; R302-H306 PolarHBondContact O-N 3.47Å; R302-H306 VanDerWaalsContact O-N 3.12Å; R302-H306 PolarHBondContact O-ND1 3.19Å; E303-H306 WeakPolarHBondContact O-CB 3.3Å; E303-H306 PolarHBondContact O-N 3.12Å; E303-H306 VanDerWaalsContact O-N 3.09Å; S304-H306 VanDerWaalsContact C-N 3.31Å; S304-H306 PolarHBondContact O-N 3.06Å; H306-L308 PolarHBondContact O-N 3.22Å; H306-Y309 PolarHBondContact O-N 3.14Å; H306-L310 VanDerWaalsContact O-CG 3.29Å; H306-L310 WeakPolarHBondContact O-CG 3.47Å; H306-L310 PolarHBondContact O-N 2.7Å; H306-I391 PolarHBondContact NE2-O 3Å; H306-L502 HydrophobicContact CB-CB 3.78Å; H306-L502 HydrophobicContact CB-CD2 4.35Å; H306-L502 HydrophobicContact CB-CG 4.44Å; H306-L502 PolarHBondContact ND1-N 3.49Å
307R92.3Very high89Confident17 Ų1725.2 Ų25.26%0.06413%0.126CC..Hα-helixtrans-57.1-47.2175-71.6-170.2-160.381.816.1111.7E268 E303 S304 Y309 L310 F311 E462 L502E268-R307 VanDerWaalsContact CD-CB 3.41Å; E268-R307 HydrophobicContact CG-CB 3.62Å; E268-R307 IonicContact OE1-NH1 3.77Å; E268-R307 PolarHBondContact OE1-NH1 2.84Å; E268-R307 VanDerWaalsContact OE2-CD 3.23Å; E268-R307 WeakPolarHBondContact OE2-CD 3.18Å; E303-R307 PolarHBondContact O-N 2.77Å; E303-R307 IonicContact OE2-CZ 3.9Å; E303-R307 IonicContact OE2-NH1 2.72Å; E303-R307 IonicContact OE2-NH2 2.86Å; E303-R307 PolarHBondContact OE2-NH2 3.42Å; S304-R307 PolarHBondContact O-N 2.72Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 2.74Å; R307-L310 PolarHBondContact O-N 3.26Å; R307-L310 VanDerWaalsContact O-N 3.15Å; R307-F311 HydrophobicContact CB-CD2 4.48Å; R307-F311 HydrophobicContact CB-CE2 3.93Å; R307-F311 HydrophobicContact CB-CZ 4.32Å; R307-F311 WeakPolarHBondContact O-CD2 3.43Å; R307-F311 VanDerWaalsContact O-CG 3.29Å; R307-F311 WeakPolarHBondContact O-CG 3.46Å; R307-F311 PolarHBondContact O-N 3.48Å; R307-E462 IonicContact CZ-OE1 3.57Å; R307-E462 IonicContact NE-OE1 2.83Å; R307-E462 PolarHBondContact NE-OE1 3.19Å; R307-E462 IonicContact NH2-OE1 2.75Å; R307-L502 HydrophobicContact CG-CD2 3.55Å
308L91.1Very high89.5Confident0 Ų026.2 Ų26.20%013%0.13CC..Hα-helixtrans-56.6-44.4178.5-179.560.9000111.6L265 E268 R269 F272 S304 H306 Q312 P347L265-L308 HydrophobicContact CD2-CD1 3.91Å; E268-L308 HydrophobicContact CG-CB 4.08Å; R269-L308 HydrophobicContact CB-CD1 3.94Å; R269-L308 HydrophobicContact CG-CD1 4.38Å; R269-L308 HydrophobicContact CG-CD2 4.38Å; F272-L308 HydrophobicContact CB-CD2 4.43Å; F272-L308 HydrophobicContact CD1-CD2 4.16Å; F272-L308 HydrophobicContact CG-CD2 4.45Å; S304-L308 VanDerWaalsContact O-CB 3.27Å; S304-L308 WeakPolarHBondContact O-CB 3.28Å; S304-L308 PolarHBondContact O-N 3.48Å; H306-L308 PolarHBondContact O-N 3.22Å; L308-Q312 WeakPolarHBondContact O-CG 3.34Å; L308-Q312 PolarHBondContact O-N 3.2Å; L308-P347 HydrophobicContact CD2-CB 3.91Å; L308-P347 HydrophobicContact CD2-CG 3.95Å; L308-P347 HydrophobicContact CG-CG 4.48Å
309Y92Very high89.9Confident29 Ų2925 Ų2511%0.11412%0.124CC..Hα-helixtrans-65.1-46174.6174.4-105.5000112.9L305 H306 R307 F311 Q312 E313 F387 P388 I391L305-Y309 PolarHBondContact O-N 3.46Å; H306-Y309 PolarHBondContact O-N 3.14Å; R307-Y309 VanDerWaalsContact C-N 3.31Å; R307-Y309 PolarHBondContact O-N 2.74Å; Y309-F311 VanDerWaalsContact C-N 3.3Å; Y309-F311 PolarHBondContact O-N 3.02Å; Y309-Q312 PolarHBondContact O-N 2.87Å; Y309-Q312 VanDerWaalsContact O-N 3.13Å; Y309-E313 HydrophobicContact CD2-CG 4.16Å; Y309-E313 HydrophobicContact CE1-CG 4.05Å; Y309-E313 HydrophobicContact CE2-CG 3.59Å; Y309-E313 PolarHBondContact O-N 3.46Å; Y309-F387 AromaticContact CD1-CD1 3.8Å; Y309-F387 HydrophobicContact CD1-CD1 3.8Å; Y309-F387 AromaticContact CD1-CE1 3.58Å; Y309-F387 HydrophobicContact CD1-CE1 3.58Å; Y309-F387 HydrophobicContact CD1-CZ 4.48Å; Y309-F387 AromaticContact CE1-CD1 3.72Å; Y309-F387 HydrophobicContact CE1-CD1 3.72Å; Y309-F387 AromaticContact CE1-CE1 3.8Å; Y309-F387 HydrophobicContact CE1-CE1 3.8Å; Y309-F387 HydrophobicContact CE1-CG 4.4Å; Y309-P388 HydrophobicContact CE2-CG 4.02Å; Y309-P388 VanDerWaalsContact OH-CD 3.31Å; Y309-P388 WeakPolarHBondContact OH-CD 3.32Å; Y309-I391 HydrophobicContact CD1-CD1 4.28Å; Y309-I391 HydrophobicContact CD2-CD1 3.24Å; Y309-I391 HydrophobicContact CE2-CD1 3.72Å; Y309-I391 HydrophobicContact CG-CD1 3.55Å
310L93.2Very high90.2Very high0 Ų029.6 Ų29.60%014%0.142CC..Hα-helixtrans-57.9-43178-69.3169.5000111.4H306 R307 S314 F387 L502 A503 V505 P527H306-L310 VanDerWaalsContact O-CG 3.29Å; H306-L310 WeakPolarHBondContact O-CG 3.47Å; H306-L310 PolarHBondContact O-N 2.7Å; R307-L310 PolarHBondContact O-N 3.26Å; R307-L310 VanDerWaalsContact O-N 3.15Å; L310-S314 WeakPolarHBondContact O-CB 3.33Å; L310-S314 PolarHBondContact O-N 2.96Å; L310-S314 PolarHBondContact O-OG 3.31Å; L310-F387 HydrophobicContact CD2-CE1 4.47Å; L310-F387 HydrophobicContact CD2-CZ 3.92Å; L310-L502 HydrophobicContact CD1-CD2 4.18Å; L310-L502 HydrophobicContact CD1-CG 3.88Å; L310-A503 VanDerWaalsContact CD2-O 3.3Å; L310-A503 WeakPolarHBondContact CD2-O 3.44Å; L310-V505 HydrophobicContact CB-CG1 4.39Å; L310-V505 HydrophobicContact CD1-CB 4.42Å; L310-V505 HydrophobicContact CD1-CG1 4.05Å; L310-P527 HydrophobicContact CD2-CG 4.42Å
311F93.6Very high90.3Very high1 Ų135.8 Ų35.80%0.00416%0.162CC..Hα-helixtrans-67.7-39.1175.3-58.5-38000112.6L261 R264 L265 E268 R307 Y309 S314 I315 V505 Y507 L526L261-F311 HydrophobicContact CD2-CD1 4.38Å; R264-F311 HydrophobicContact CB-CD2 4.25Å; R264-F311 HydrophobicContact CB-CE1 4.42Å; R264-F311 HydrophobicContact CB-CE2 4.05Å; R264-F311 HydrophobicContact CB-CZ 4.15Å; L265-F311 HydrophobicContact CD2-CB 3.5Å; L265-F311 VanDerWaalsContact CD2-CB 3.5Å; L265-F311 HydrophobicContact CG-CB 3.76Å; E268-F311 HydrophobicContact CB-CD2 4.05Å; E268-F311 HydrophobicContact CB-CE2 3.92Å; E268-F311 HydrophobicContact CG-CD2 4.29Å; E268-F311 HydrophobicContact CG-CE2 4.01Å; R307-F311 HydrophobicContact CB-CD2 4.48Å; R307-F311 HydrophobicContact CB-CE2 3.93Å; R307-F311 HydrophobicContact CB-CZ 4.32Å; R307-F311 WeakPolarHBondContact O-CD2 3.43Å; R307-F311 VanDerWaalsContact O-CG 3.29Å; R307-F311 WeakPolarHBondContact O-CG 3.46Å; R307-F311 PolarHBondContact O-N 3.48Å; Y309-F311 VanDerWaalsContact C-N 3.3Å; Y309-F311 PolarHBondContact O-N 3.02Å; F311-S314 WeakPolarHBondContact O-CB 3.3Å; F311-S314 PolarHBondContact O-N 2.93Å; F311-S314 VanDerWaalsContact O-N 3.14Å; F311-I315 PolarHBondContact O-N 3.4Å; F311-V505 HydrophobicContact CD1-CG1 4.4Å; F311-V505 HydrophobicContact CE1-CG1 3.65Å; F311-V505 HydrophobicContact CZ-CG1 4.14Å; F311-Y507 AromaticContact CE1-CE2 3.9Å; F311-Y507 HydrophobicContact CE1-CE2 3.9Å; F311-Y507 AromaticContact CZ-CE2 3.73Å; F311-Y507 HydrophobicContact CZ-CE2 3.73Å; F311-L526 HydrophobicContact CD1-CD1 4.04Å; F311-L526 HydrophobicContact CE1-CD1 3.96Å
312Q92.6Very high90.3Very high8 Ų838 Ų384%0.03718%0.176CC..Hα-helixtrans-62.3-45.1175.7-78.8-171.8-10.700111.5L265 L308 Y309 S314 I315 K316 L343 S345L265-Q312 HydrophobicContact CD2-CG 3.66Å; L308-Q312 WeakPolarHBondContact O-CG 3.34Å; L308-Q312 PolarHBondContact O-N 3.2Å; Y309-Q312 PolarHBondContact O-N 2.87Å; Y309-Q312 VanDerWaalsContact O-N 3.13Å; Q312-S314 VanDerWaalsContact C-N 3.25Å; Q312-S314 PolarHBondContact O-N 3.18Å; Q312-I315 PolarHBondContact O-N 3.21Å; Q312-K316 WeakPolarHBondContact O-CB 3.44Å; Q312-K316 VanDerWaalsContact O-CD 3.28Å; Q312-K316 WeakPolarHBondContact O-CD 3.35Å; Q312-K316 WeakPolarHBondContact O-CG 3.35Å; Q312-K316 PolarHBondContact O-N 3.07Å; Q312-K316 VanDerWaalsContact O-N 3.16Å; Q312-L343 PolarHBondContact NE2-O 2.98Å; Q312-S345 PolarHBondContact NE2-O 2.96Å
313E91.3Very high90.1Very high59 Ų5938.7 Ų38.728%0.27618%0.183SC..Hα-helixtrans-70.4-19.8174.3-64.2-47125.500113.5Y309 K316 P317 P527Y309-E313 HydrophobicContact CD2-CG 4.16Å; Y309-E313 HydrophobicContact CE1-CG 4.05Å; Y309-E313 HydrophobicContact CE2-CG 3.59Å; Y309-E313 PolarHBondContact O-N 3.46Å; E313-K316 IonicContact OE1-NZ 2.94Å; E313-K316 PolarHBondContact OE1-NZ 2.92Å; E313-P317 WeakPolarHBondContact O-CD 3.45Å; E313-P317 WeakPolarHBondContact O-CG 3.34Å; E313-P527 HydrophobicContact CB-CB 4.07Å; E313-P527 HydrophobicContact CB-CG 4.2Å
314S92.9Very high89.4Confident11 Ų1141.9 Ų41.98%0.07721%0.206CC..Hα-helixtrans-76.9-38.9174.6-60.30000113.3L310 F311 Q312 L526 P527L310-S314 WeakPolarHBondContact O-CB 3.33Å; L310-S314 PolarHBondContact O-N 2.96Å; L310-S314 PolarHBondContact O-OG 3.31Å; F311-S314 WeakPolarHBondContact O-CB 3.3Å; F311-S314 PolarHBondContact O-N 2.93Å; F311-S314 VanDerWaalsContact O-N 3.14Å; Q312-S314 VanDerWaalsContact C-N 3.25Å; Q312-S314 PolarHBondContact O-N 3.18Å; S314-L526 WeakPolarHBondContact OG-CB 3.5Å; S314-P527 VanDerWaalsContact OG-CA 3.24Å; S314-P527 WeakPolarHBondContact OG-CA 3.29Å
315I92.7Very high88.6Confident0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-86-31.9-175.8-149.8174.7000112.1V258 L261 A262 L265 F311 Q312 L318 L319 M340 L344V258-I315 HydrophobicContact CG1-CD1 4.31Å; L261-I315 HydrophobicContact CB-CB 4.38Å; L261-I315 HydrophobicContact CB-CD1 3.85Å; L261-I315 HydrophobicContact CB-CG1 4.08Å; L261-I315 HydrophobicContact CD1-CB 4.32Å; L261-I315 HydrophobicContact CD1-CG1 4.3Å; A262-I315 HydrophobicContact CB-CD1 4.34Å; L265-I315 HydrophobicContact CD1-CB 4.33Å; L265-I315 HydrophobicContact CD1-CD1 3.98Å; L265-I315 HydrophobicContact CD1-CG2 3.79Å; F311-I315 PolarHBondContact O-N 3.4Å; Q312-I315 PolarHBondContact O-N 3.21Å; I315-L318 WeakPolarHBondContact O-CB 3.44Å; I315-L318 PolarHBondContact O-N 2.84Å; I315-L319 HydrophobicContact CD1-CD1 4.38Å; I315-L319 HydrophobicContact CG1-CD1 4.02Å; I315-L319 HydrophobicContact CG1-CG 4.17Å; I315-L319 HydrophobicContact CG2-CD1 4.11Å; I315-L319 WeakPolarHBondContact O-CG 3.32Å; I315-L319 PolarHBondContact O-N 3.32Å; I315-M340 HydrophobicContact CD1-CE 4.38Å; I315-M340 HydrophobicContact CD1-SD 3.91Å; I315-L344 HydrophobicContact CG2-CD2 3.59Å
316K91.7Very high87.6Confident55 Ų5548 Ų4824%0.23924%0.236CC..Hα-helixtrans-52.5-43.6179.8-78.8164.5-166172.40113.7Q312 E313 K320 L344Q312-K316 WeakPolarHBondContact O-CB 3.44Å; Q312-K316 VanDerWaalsContact O-CD 3.28Å; Q312-K316 WeakPolarHBondContact O-CD 3.35Å; Q312-K316 WeakPolarHBondContact O-CG 3.35Å; Q312-K316 PolarHBondContact O-N 3.07Å; Q312-K316 VanDerWaalsContact O-N 3.16Å; E313-K316 IonicContact OE1-NZ 2.94Å; E313-K316 PolarHBondContact OE1-NZ 2.92Å; K316-K320 WeakPolarHBondContact O-CB 3.36Å; K316-K320 VanDerWaalsContact O-CG 3.25Å; K316-K320 WeakPolarHBondContact O-CG 3.18Å; K316-K320 PolarHBondContact O-N 3.23Å; K316-L344 HydrophobicContact CG-CD2 3.88Å
317P90.6Very high86.6Confident75 Ų7552.3 Ų52.349%0.48725%0.254SS..Hα-helixtrans-67.3-37.1175.7-22.734.7000113.6E313 K320 R321E313-P317 WeakPolarHBondContact O-CD 3.45Å; E313-P317 WeakPolarHBondContact O-CG 3.34Å; P317-K320 PolarHBondContact O-N 2.96Å; P317-R321 PolarHBondContact O-N 2.87Å; P317-R321 VanDerWaalsContact O-N 3.1Å
318L89.6Confident85.9Confident34 Ų3455 Ų5518%0.17828%0.275CS..Hα-helixtrans-67.9-41.1-178.8-61.5174000111.6W254 K257 V258 L261 I315 R321W254-L318 PolarHBondContact NE1-O 3.28Å; K257-L318 HydrophobicContact CD-CD1 3.96Å; K257-L318 HydrophobicContact CG-CD1 4Å; V258-L318 HydrophobicContact CG2-CB 3.99Å; V258-L318 HydrophobicContact CG2-CD1 4.22Å; L261-L318 HydrophobicContact CD1-CD1 3.56Å; I315-L318 WeakPolarHBondContact O-CB 3.44Å; I315-L318 PolarHBondContact O-N 2.84Å; L318-R321 CarbonylContact O-C 3.55Å; L318-R321 PolarHBondContact O-N 2.87Å
319L90.1Very high85.3Confident20 Ų2061.5 Ų61.511%0.10531%0.309CS..Hα-helixtrans-72.5-32.4177.1-61.4169.3000112W254 V258 I315 R321 V335 M340 L344W254-L319 HydrophobicContact CZ2-CD2 4.5Å; V258-L319 HydrophobicContact CG1-CD2 3.98Å; I315-L319 HydrophobicContact CD1-CD1 4.38Å; I315-L319 HydrophobicContact CG1-CD1 4.02Å; I315-L319 HydrophobicContact CG1-CG 4.17Å; I315-L319 HydrophobicContact CG2-CD1 4.11Å; I315-L319 WeakPolarHBondContact O-CG 3.32Å; I315-L319 PolarHBondContact O-N 3.32Å; L319-R321 VanDerWaalsContact C-N 3.35Å; L319-V335 HydrophobicContact CD2-CG2 3.94Å; L319-M340 HydrophobicContact CD1-CG 3.92Å; L319-M340 HydrophobicContact CD1-SD 3.95Å; L319-M340 HydrophobicContact CD2-CE 4.38Å; L319-L344 HydrophobicContact CD1-CD1 3.83Å
320K88.1Confident84.6Confident168 Ų16863.4 Ų63.473%0.7332%0.32SS*.Hα-helixtrans-74.1-20.6175.2-77176.9178.8-179.70114.3K316 P317K316-K320 WeakPolarHBondContact O-CB 3.36Å; K316-K320 VanDerWaalsContact O-CG 3.25Å; K316-K320 WeakPolarHBondContact O-CG 3.18Å; K316-K320 PolarHBondContact O-N 3.23Å; P317-K320 PolarHBondContact O-N 2.96Å
321R85.5Confident84.1Confident220 Ų22064.6 Ų64.683%0.8333%0.326SS*.SBendtrans-142.568.9-177.9-65.8-174.5-179.2170.30.4110.9P317 L318 L319P317-R321 PolarHBondContact O-N 2.87Å; P317-R321 VanDerWaalsContact O-N 3.1Å; L318-R321 CarbonylContact O-C 3.55Å; L318-R321 PolarHBondContact O-N 2.87Å; L319-R321 VanDerWaalsContact C-N 3.35Å
322P84.7Confident83.6Confident46 Ų4667.2 Ų67.230%0.29934%0.344SS..PPolyproline II helixtrans-65.4154.4170.831.3-36.3000110.8W254 I331W254-P322 HydrophobicContact CD2-CB 4.46Å; W254-P322 HydrophobicContact CH2-CB 4.34Å; W254-P322 HydrophobicContact CZ2-CB 3.73Å; P322-I331 HydrophobicContact CB-CD1 3.76Å; P322-I331 HydrophobicContact CB-CG1 4.28Å; P322-I331 HydrophobicContact CB-CG2 4.04Å; P322-I331 HydrophobicContact CG-CD1 4.05Å; P322-I331 HydrophobicContact CG-CG2 3.93Å
323P81.1Confident83.1Confident30 Ų3069.5 Ų69.520%0.19536%0.361CS..PPolyproline II helixtrans-68.9152.6177.430.3-36.4000111.4F251 W254 T325F251-P323 HydrophobicContact CB-CG 4.46Å; W254-P323 HydrophobicContact CB-CG 3.62Å; W254-P323 VanDerWaalsContact CD1-CD 3.43Å; W254-P323 HydrophobicContact CD2-CG 4.38Å; W254-P323 HydrophobicContact CG-CG 3.88Å; P323-T325 PolarHBondContact O-N 3.2Å
324P74.3Confident82.7Confident97 Ų9767 Ų6763%0.6335%0.35SS*.PPolyproline II helixtrans-62.2126.5171.927.6-34000110.1
325T71.9Confident82.4Confident29 Ų2968.7 Ų68.718%0.17836%0.359CS..  trans-142.5159.6-175.3-175.30000110.6F251 P323 F327 I331F251-T325 HydrophobicContact CD2-CG2 3.9Å; F251-T325 HydrophobicContact CE2-CG2 4.22Å; F251-T325 HydrophobicContact CG-CG2 4.49Å; F251-T325 WeakPolarHBondContact CG-OG1 3.23Å; P323-T325 PolarHBondContact O-N 3.2Å; T325-F327 PolarHBondContact OG1-N 3.2Å; T325-I331 HydrophobicContact CG2-CD1 3.33Å; T325-I331 HydrophobicContact CG2-CG1 3.97Å
326H68.2Low82Confident110 Ų11074.2 Ų74.251%0.50939%0.389SS..SBendtrans-83.71.7172.2-66.4-77.6000113.1P328H326-P328 VanDerWaalsContact C-CD 3.4Å; H326-P328 VanDerWaalsContact O-CD 3.31Å; H326-P328 WeakPolarHBondContact O-CD 3.46Å
327F72Confident81.6Confident89 Ų8972.1 Ų72.139%0.3938%0.38SS..  trans-119.762.2-176.4-50.3-69.8000112.4Q248 F251 T325 D329 M330 I331Q248-F327 HydrophobicContact CG-CE2 4.48Å; F251-F327 HydrophobicContact CD1-CD2 4.33Å; F251-F327 HydrophobicContact CE1-CD2 4.34Å; T325-F327 PolarHBondContact OG1-N 3.2Å; F327-D329 VanDerWaalsContact C-N 3.32Å; F327-D329 PolarHBondContact O-N 2.84Å; F327-M330 HydrophobicContact CB-CB 4.02Å; F327-M330 PolarHBondContact O-N 2.86Å; F327-M330 VanDerWaalsContact O-N 3.14Å; F327-I331 PolarHBondContact O-N 3.44Å
328P76.4Confident81.3Confident75 Ų7571.5 Ų71.549%0.48738%0.377SS..Hα-helixtrans-61.4-39-17726.5-34.6000112.5H326 M330 I331 S332H326-P328 VanDerWaalsContact C-CD 3.4Å; H326-P328 VanDerWaalsContact O-CD 3.31Å; H326-P328 WeakPolarHBondContact O-CD 3.46Å; P328-M330 PolarHBondContact O-N 3.34Å; P328-M330 VanDerWaalsContact O-N 3.15Å; P328-I331 WeakPolarHBondContact O-CA 3.46Å; P328-I331 WeakPolarHBondContact O-CB 3.43Å; P328-I331 PolarHBondContact O-N 3.21Å; P328-S332 PolarHBondContact O-N 2.94Å
329D78.1Confident81.1Confident136 Ų13670.9 Ų70.973%0.72737%0.373SS*.Hα-helixtrans-58.1-30.8177.6-49.2-27.7000112.2F327 S332 S333F327-D329 VanDerWaalsContact C-N 3.32Å; F327-D329 PolarHBondContact O-N 2.84Å; D329-S332 PolarHBondContact O-N 2.93Å; D329-S333 WeakPolarHBondContact O-CB 3.29Å; D329-S333 PolarHBondContact O-N 3.49Å
330M78.3Confident81Confident68 Ų6870 Ų7034%0.33537%0.368SS..Hα-helixtrans-84-19.5178.8-167-178.9162.900113F251 K255 F327 P328 S333 I334F251-M330 HydrophobicContact CE1-CE 3.96Å; F251-M330 HydrophobicContact CE1-SD 3.72Å; F251-M330 HydrophobicContact CZ-CB 4.14Å; F251-M330 HydrophobicContact CZ-CE 3.97Å; F251-M330 HydrophobicContact CZ-CG 3.89Å; F251-M330 HydrophobicContact CZ-SD 3.7Å; K255-M330 HydrophobicContact CD-CE 3.76Å; F327-M330 HydrophobicContact CB-CB 4.02Å; F327-M330 PolarHBondContact O-N 2.86Å; F327-M330 VanDerWaalsContact O-N 3.14Å; P328-M330 PolarHBondContact O-N 3.34Å; P328-M330 VanDerWaalsContact O-N 3.15Å; M330-S333 WeakPolarHBondContact CA-OG 3.42Å; M330-S333 PolarHBondContact O-OG 3Å; M330-I334 WeakPolarHBondContact O-CD1 3.46Å; M330-I334 WeakPolarHBondContact O-CG1 3.41Å
331I82.6Confident80.9Confident25 Ų2565.3 Ų65.313%0.12836%0.361CS..Hα-helixtrans-71.2-51.4162.1-69.4170.9000108.4F251 W254 P322 T325 F327 P328 S333 I334 V335F251-I331 HydrophobicContact CD2-CG1 4.41Å; F251-I331 HydrophobicContact CE2-CG1 3.83Å; W254-I331 HydrophobicContact CH2-CG1 4.26Å; W254-I331 HydrophobicContact CH2-CG2 4.21Å; W254-I331 HydrophobicContact CZ3-CG1 4.19Å; P322-I331 HydrophobicContact CB-CD1 3.76Å; P322-I331 HydrophobicContact CB-CG1 4.28Å; P322-I331 HydrophobicContact CB-CG2 4.04Å; P322-I331 HydrophobicContact CG-CD1 4.05Å; P322-I331 HydrophobicContact CG-CG2 3.93Å; T325-I331 HydrophobicContact CG2-CD1 3.33Å; T325-I331 HydrophobicContact CG2-CG1 3.97Å; F327-I331 PolarHBondContact O-N 3.44Å; P328-I331 WeakPolarHBondContact O-CA 3.46Å; P328-I331 WeakPolarHBondContact O-CB 3.43Å; P328-I331 PolarHBondContact O-N 3.21Å; I331-S333 VanDerWaalsContact C-N 3.32Å; I331-S333 PolarHBondContact O-N 3.36Å; I331-I334 PolarHBondContact O-N 3.14Å; I331-V335 HydrophobicContact CG2-CG2 3.7Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.11Å
332S82.6Confident80.8Confident56 Ų5656 Ų5639%0.39233%0.328SS..Hα-helixtrans-56-44.4-179.9-68.60000112P328 D329 I334 V335 D336P328-S332 PolarHBondContact O-N 2.94Å; D329-S332 PolarHBondContact O-N 2.93Å; S332-I334 PolarHBondContact O-N 2.84Å; S332-V335 PolarHBondContact O-N 3.38Å; S332-D336 WeakPolarHBondContact CA-OD2 3.33Å; S332-D336 WeakPolarHBondContact CB-OD2 3.46Å; S332-D336 WeakPolarHBondContact O-CA 3.49Å; S332-D336 VanDerWaalsContact O-CB 3.25Å; S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.35Å
333S82.2Confident81Confident57 Ų5754 Ų5440%0.39932%0.315SS..Hα-helixtrans-61.5-19.7177.271.60000114.5D329 M330 I331 S359D329-S333 WeakPolarHBondContact O-CB 3.29Å; D329-S333 PolarHBondContact O-N 3.49Å; M330-S333 WeakPolarHBondContact CA-OG 3.42Å; M330-S333 PolarHBondContact O-OG 3Å; I331-S333 VanDerWaalsContact C-N 3.32Å; I331-S333 PolarHBondContact O-N 3.36Å; S333-S359 PolarHBondContact O-OG 2.82Å
334I83.4Confident81.3Confident6 Ų655.1 Ų55.13%0.03132%0.319CS..Hα-helixtrans-98.4-38.3178.3-65.5172.3000111.4W254 K255 V258 M259 M330 I331 S332 M340 L360W254-I334 HydrophobicContact CH2-CG2 4.29Å; W254-I334 HydrophobicContact CZ3-CD1 4.26Å; K255-I334 HydrophobicContact CG-CD1 3.94Å; V258-I334 HydrophobicContact CG1-CG2 3.65Å; M259-I334 HydrophobicContact SD-CD1 4.39Å; M330-I334 WeakPolarHBondContact O-CD1 3.46Å; M330-I334 WeakPolarHBondContact O-CG1 3.41Å; I331-I334 PolarHBondContact O-N 3.14Å; S332-I334 PolarHBondContact O-N 2.84Å; I334-M340 HydrophobicContact CG2-CE 4.23Å; I334-M340 WeakPolarHBondContact O-CE 3.21Å; I334-L360 HydrophobicContact CG2-CD2 4.08Å
335V85.3Confident81.9Confident46 Ų4651.7 Ų51.728%0.27930%0.298SS..Hα-helixtrans-77.8-40.9-178.1174.10000111.4W254 L319 I331 S332W254-V335 HydrophobicContact CH2-CG2 4.4Å; W254-V335 HydrophobicContact CZ2-CG2 4.47Å; L319-V335 HydrophobicContact CD2-CG2 3.94Å; I331-V335 HydrophobicContact CG2-CG2 3.7Å; I331-V335 WeakPolarHBondContact O-CG2 3.29Å; I331-V335 PolarHBondContact O-N 3.11Å; S332-V335 PolarHBondContact O-N 3.38Å
336D84.3Confident82.4Confident117 Ų11752.9 Ų52.963%0.62631%0.307SS*.SBendtrans-93.78-178.1-51.6-52.2000112.3S332S332-D336 WeakPolarHBondContact CA-OD2 3.33Å; S332-D336 WeakPolarHBondContact CB-OD2 3.46Å; S332-D336 WeakPolarHBondContact O-CA 3.49Å; S332-D336 VanDerWaalsContact O-CB 3.25Å; S332-D336 WeakPolarHBondContact O-CB 3.5Å; S332-D336 PolarHBondContact O-N 3.35Å
337D84.5Confident82.8Confident10 Ų1048.4 Ų48.45%0.05329%0.288CS..  trans-61.1129.1175.2-167.8-65.3000110E339 M340 A341 S359 L360D337-E339 PolarHBondContact O-N 2.91Å; D337-E339 VanDerWaalsContact O-N 3.14Å; D337-E339 VanDerWaalsContact OD1-CB 3.29Å; D337-E339 WeakPolarHBondContact OD1-CB 3.1Å; D337-E339 PolarHBondContact OD1-N 3.04Å; D337-M340 HydrophobicContact CB-CB 4.35Å; D337-M340 WeakPolarHBondContact O-CB 3.3Å; D337-M340 PolarHBondContact O-N 2.84Å; D337-A341 PolarHBondContact O-N 3.38Å; D337-S359 WeakPolarHBondContact OD2-CB 3.48Å; D337-S359 PolarHBondContact OD2-N 2.79Å; D337-S359 PolarHBondContact OD2-OG 3.28Å; D337-L360 HydrophobicContact CB-CD1 4.39Å; D337-L360 HydrophobicContact CB-CD2 4.38Å; D337-L360 HydrophobicContact CB-CG 4.28Å
338P84.1Confident82.9Confident63 Ų6348.7 Ų48.741%0.40929%0.286SS..Hα-helixtrans-60.2-26.4-178.125-35.5000113.2V342 F354P338-V342 WeakPolarHBondContact O-CG2 3.49Å; P338-V342 PolarHBondContact O-N 3.47Å; P338-F354 HydrophobicContact CB-CE1 4.36Å; P338-F354 HydrophobicContact CB-CE2 3.91Å; P338-F354 HydrophobicContact CB-CZ 3.77Å; P338-F354 HydrophobicContact CG-CE1 3.78Å; P338-F354 HydrophobicContact CG-CE2 4.18Å; P338-F354 HydrophobicContact CG-CZ 3.52Å
339E85.2Confident82.6Confident21 Ų2147.6 Ų47.610%0.09828%0.28CS..Hα-helixtrans-69.2-36.2173.1-171177.8-159.400111.6R266 D337 A341 V342 L343 S358 L360R266-E339 IonicContact CZ-OE1 2.72Å; R266-E339 IonicContact CZ-OE2 3.93Å; R266-E339 IonicContact NE-OE1 2.69Å; R266-E339 PolarHBondContact NE-OE1 3.27Å; R266-E339 IonicContact NE-OE2 2.62Å; R266-E339 IonicContact NH2-OE1 3.31Å; R266-E339 PolarHBondContact NH2-OE1 3.29Å; R266-E339 IonicContact NH2-OE2 3.74Å; R266-E339 PolarHBondContact NH2-OE2 2.61Å; D337-E339 PolarHBondContact O-N 2.91Å; D337-E339 VanDerWaalsContact O-N 3.14Å; D337-E339 VanDerWaalsContact OD1-CB 3.29Å; D337-E339 WeakPolarHBondContact OD1-CB 3.1Å; D337-E339 PolarHBondContact OD1-N 3.04Å; E339-A341 VanDerWaalsContact C-N 3.3Å; E339-A341 PolarHBondContact O-N 3.42Å; E339-V342 CarbonylContact O-C 3.6Å; E339-V342 WeakPolarHBondContact O-CA 3.5Å; E339-V342 WeakPolarHBondContact O-CB 3.3Å; E339-V342 PolarHBondContact O-N 3.22Å; E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 HydrophobicContact CG-CG 4.17Å; E339-L343 WeakPolarHBondContact O-CG 3.27Å; E339-L343 PolarHBondContact O-N 2.93Å; E339-S358 VanDerWaalsContact OE2-CB 3.23Å; E339-S358 WeakPolarHBondContact OE2-CB 3.37Å; E339-S358 PolarHBondContact OE2-OG 3.15Å; E339-L360 HydrophobicContact CB-CD1 4.18Å; E339-L360 HydrophobicContact CG-CD1 4.48Å
340M88Confident81.7Confident1 Ų147.9 Ų47.91%0.00528%0.282CS..Hα-helixtrans-61.8-39.7179.4-163.865.273.100111.5V258 A262 I315 L319 I334 D337 V342 L343 L344 L360V258-M340 HydrophobicContact CG1-CE 4.09Å; A262-M340 HydrophobicContact CB-CE 4.08Å; I315-M340 HydrophobicContact CD1-CE 4.38Å; I315-M340 HydrophobicContact CD1-SD 3.91Å; L319-M340 HydrophobicContact CD1-CG 3.92Å; L319-M340 HydrophobicContact CD1-SD 3.95Å; L319-M340 HydrophobicContact CD2-CE 4.38Å; I334-M340 HydrophobicContact CG2-CE 4.23Å; I334-M340 WeakPolarHBondContact O-CE 3.21Å; D337-M340 HydrophobicContact CB-CB 4.35Å; D337-M340 WeakPolarHBondContact O-CB 3.3Å; D337-M340 PolarHBondContact O-N 2.84Å; M340-V342 VanDerWaalsContact C-N 3.32Å; M340-V342 PolarHBondContact O-N 3.4Å; M340-L343 PolarHBondContact O-N 2.94Å; M340-L344 HydrophobicContact CG-CD1 4.29Å; M340-L344 WeakPolarHBondContact O-CB 3.49Å; M340-L344 WeakPolarHBondContact O-CG 3.49Å; M340-L344 PolarHBondContact O-N 2.72Å; M340-L360 HydrophobicContact CE-CD1 3.77Å; M340-L360 HydrophobicContact CE-CD2 3.96Å
341A85.7Confident80.7Confident70 Ų7047.6 Ų47.658%0.57928%0.284SS*.Hα-helixtrans-63.3-35.7172.600000112.7D337 E339 S345D337-A341 PolarHBondContact O-N 3.38Å; E339-A341 VanDerWaalsContact C-N 3.3Å; E339-A341 PolarHBondContact O-N 3.42Å; A341-S345 PolarHBondContact O-N 2.85Å
342V85Confident79.3Confident23 Ų2351.8 Ų51.814%0.13931%0.311CS..Hα-helixtrans-70-42.8175174.20000111.4P338 E339 M340 L344 S345 T351P338-V342 WeakPolarHBondContact O-CG2 3.49Å; P338-V342 PolarHBondContact O-N 3.47Å; E339-V342 CarbonylContact O-C 3.6Å; E339-V342 WeakPolarHBondContact O-CA 3.5Å; E339-V342 WeakPolarHBondContact O-CB 3.3Å; E339-V342 PolarHBondContact O-N 3.22Å; M340-V342 VanDerWaalsContact C-N 3.32Å; M340-V342 PolarHBondContact O-N 3.4Å; V342-L344 PolarHBondContact O-N 3.23Å; V342-S345 WeakPolarHBondContact O-CB 3.22Å; V342-S345 PolarHBondContact O-N 2.92Å; V342-S345 PolarHBondContact O-OG 2.89Å; V342-T351 HydrophobicContact CG1-CG2 4.15Å; V342-T351 HydrophobicContact CG2-CG2 4.05Å
343L87.1Confident77.9Confident6 Ų652.4 Ų52.43%0.03132%0.319CS..Hα-helixtrans-66.2-34178-65.9177.7000112.9A262 L265 R266 Q312 E339 M340A262-L343 HydrophobicContact CB-CD1 4.13Å; L265-L343 HydrophobicContact CB-CB 4.25Å; L265-L343 HydrophobicContact CB-CD1 4.25Å; L265-L343 HydrophobicContact CB-CD2 4.14Å; L265-L343 HydrophobicContact CB-CG 4.44Å; L265-L343 HydrophobicContact CD1-CB 4.4Å; R266-L343 HydrophobicContact CB-CD2 4.02Å; Q312-L343 PolarHBondContact NE2-O 2.98Å; E339-L343 HydrophobicContact CG-CD1 4.23Å; E339-L343 HydrophobicContact CG-CG 4.17Å; E339-L343 WeakPolarHBondContact O-CG 3.27Å; E339-L343 PolarHBondContact O-N 2.93Å; M340-L343 PolarHBondContact O-N 2.94Å
344L88.5Confident76.5Confident52 Ų5253.9 Ų53.927%0.27232%0.319SS..THydrogen-bonded Turntrans-83.3-9.1176.1-73.3176.2000114.5I315 K316 L319 M340 V342I315-L344 HydrophobicContact CG2-CD2 3.59Å; K316-L344 HydrophobicContact CG-CD2 3.88Å; L319-L344 HydrophobicContact CD1-CD1 3.83Å; M340-L344 HydrophobicContact CG-CD1 4.29Å; M340-L344 WeakPolarHBondContact O-CB 3.49Å; M340-L344 WeakPolarHBondContact O-CG 3.49Å; M340-L344 PolarHBondContact O-N 2.72Å; V342-L344 PolarHBondContact O-N 3.23Å
345S86.3Confident74.9Confident26 Ų2662.2 Ų62.218%0.18236%0.357CS..SBendtrans-67.1161.3179.274.80000112.4R269 Q312 A341 V342R269-S345 PolarHBondContact NH2-OG 2.61Å; R269-S345 VanDerWaalsContact NH2-OG 3.1Å; Q312-S345 PolarHBondContact NE2-O 2.96Å; A341-S345 PolarHBondContact O-N 2.85Å; V342-S345 WeakPolarHBondContact O-CB 3.22Å; V342-S345 PolarHBondContact O-N 2.92Å; V342-S345 PolarHBondContact O-OG 2.89Å
346S82.2Confident73.2Confident54 Ų5461.7 Ų61.738%0.37836%0.361SS..  trans-53.9137.1180175.90000112W348 S349S346-W348 PolarHBondContact O-N 3.29Å; S346-W348 VanDerWaalsContact O-N 3.11Å; S346-W348 PolarHBondContact OG-N 3.34Å; S346-S349 VanDerWaalsContact O-CB 3.31Å; S346-S349 WeakPolarHBondContact O-CB 3.27Å; S346-S349 PolarHBondContact O-N 2.94Å
347P76.3Confident71.7Confident16 Ų1663.2 Ų63.210%0.10437%0.369CS..THydrogen-bonded Turntrans-54.7-26.9173-28.336.4000114.2F272 L305 L308F272-P347 HydrophobicContact CD1-CB 4.49Å; F272-P347 HydrophobicContact CE1-CB 4.05Å; F272-P347 WeakPolarHBondContact CE1-O 3.47Å; L305-P347 HydrophobicContact CD1-CB 3.61Å; L305-P347 HydrophobicContact CD1-CG 3.96Å; L308-P347 HydrophobicContact CD2-CB 3.91Å; L308-P347 HydrophobicContact CD2-CG 3.95Å; L308-P347 HydrophobicContact CG-CG 4.48Å
348W74.6Confident70.6Confident95 Ų9564.2 Ų64.236%0.3638%0.377SS..THydrogen-bonded Turntrans-86.9-5.6179.2-51.5-71.9000113.7S346 E390 I391 N394S346-W348 PolarHBondContact O-N 3.29Å; S346-W348 VanDerWaalsContact O-N 3.11Å; S346-W348 PolarHBondContact OG-N 3.34Å; W348-E390 HydrophobicContact CH2-CB 3.68Å; W348-E390 HydrophobicContact CZ2-CB 4.16Å; W348-I391 HydrophobicContact CH2-CG1 4.12Å; W348-I391 HydrophobicContact CZ2-CG1 4.4Å; W348-N394 PolarHBondContact NE1-ND2 2.86Å
349S70.8Confident69.5Low52 Ų5263.8 Ų63.836%0.36438%0.375SS..  trans-76.3125.9-179.5-168.70000111.7R269 S346 T351R269-S349 PolarHBondContact NH2-O 3.45Å; S346-S349 VanDerWaalsContact O-CB 3.31Å; S346-S349 WeakPolarHBondContact O-CB 3.27Å; S346-S349 PolarHBondContact O-N 2.94Å; S349-T351 PolarHBondContact O-N 2.99Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; S349-T351 VanDerWaalsContact OG-OG1 3.1Å
350N58.8Low68.7Low142 Ų14263 Ų6376%0.75937%0.372SS*.  trans-72.319.2-180-69.6-18.2000114T352N350-T352 PolarHBondContact O-N 2.88Å
351T56.4Low67.6Low61 Ų6168.1 Ų68.137%0.37440%0.399SS..  trans-63.3103.4173.4-44.80000110.3R269 V342 S349R269-T351 PolarHBondContact NH1-O 3.49Å; V342-T351 HydrophobicContact CG1-CG2 4.15Å; V342-T351 HydrophobicContact CG2-CG2 4.05Å; S349-T351 PolarHBondContact O-N 2.99Å; S349-T351 PolarHBondContact OG-OG1 3.43Å; S349-T351 VanDerWaalsContact OG-OG1 3.1Å
352T53.8Low66.6Low114 Ų11468.6 Ų68.670%0.69939%0.39SS*.  trans-61.7163.3175.547.10000112.3N350N350-T352 PolarHBondContact O-N 2.88Å
353A53.3Low65.7Low68 Ų6868.8 Ų68.856%0.56239%0.393SS*.  trans-56.8143-178.300000112.6H355A353-H355 PolarHBondContact O-N 3.17Å
354F53Low64.5Low88 Ų8871.8 Ų71.839%0.38641%0.414SS..  trans-79.6106.9-178.2-168.4-100.9000110.3P338 G356P338-F354 HydrophobicContact CB-CE1 4.36Å; P338-F354 HydrophobicContact CB-CE2 3.91Å; P338-F354 HydrophobicContact CB-CZ 3.77Å; P338-F354 HydrophobicContact CG-CE1 3.78Å; P338-F354 HydrophobicContact CG-CE2 4.18Å; P338-F354 HydrophobicContact CG-CZ 3.52Å; F354-G356 PolarHBondContact O-N 2.82Å
355H49.6Very low63.5Low182 Ų18273.1 Ų73.184%0.84343%0.425SS*.  trans-87.429.5179.7-70.7-66.7000113.7A353A353-H355 PolarHBondContact O-N 3.17Å
356G50.8Low62.7Low35 Ų3573.1 Ų73.136%0.36143%0.425SS..SBendtrans-110.4175178.600000113.4F354 S358F354-G356 PolarHBondContact O-N 2.82Å; G356-S358 PolarHBondContact O-N 3.02Å
357N51.2Low62.2Low149 Ų14973 Ų7380%0.79742%0.422SS*.  trans-67.693174.1-70.9-4.1000110.5
358S61.7Low62.2Low30 Ų3073.3 Ų73.321%0.2143%0.426CS..  trans-72.3143.8164.71750000110.3E339 G356 L360E339-S358 VanDerWaalsContact OE2-CB 3.23Å; E339-S358 WeakPolarHBondContact OE2-CB 3.37Å; E339-S358 PolarHBondContact OE2-OG 3.15Å; G356-S358 PolarHBondContact O-N 3.02Å; S358-L360 VanDerWaalsContact C-N 3.29Å; S358-L360 WeakPolarHBondContact OG-CB 3.41Å; S358-L360 PolarHBondContact OG-N 3.3Å
359S61.7Low62Low54 Ų5468.8 Ų68.838%0.37841%0.409SS..  trans-82.4-11.3170.172.90000112.6S333 D337 L361S333-S359 PolarHBondContact O-OG 2.82Å; D337-S359 WeakPolarHBondContact OD2-CB 3.48Å; D337-S359 PolarHBondContact OD2-N 2.79Å; D337-S359 PolarHBondContact OD2-OG 3.28Å; S359-L361 VanDerWaalsContact C-N 3.33Å; S359-L361 PolarHBondContact O-N 2.63Å
360L67.7Low62.3Low6 Ų667.8 Ų67.83%0.03140%0.4CS..  trans-80.874.7-169.2-55.5177.8000112.1M259 A262 R266 I334 D337 E339 M340 S358M259-L360 VanDerWaalsContact CE-C 3.42Å; M259-L360 VanDerWaalsContact CE-CA 3.48Å; M259-L360 HydrophobicContact CE-CB 4.16Å; M259-L360 HydrophobicContact CE-CD2 4.39Å; M259-L360 HydrophobicContact SD-CD2 4.2Å; A262-L360 HydrophobicContact CB-CD1 4.38Å; R266-L360 PolarHBondContact NH2-O 2.96Å; I334-L360 HydrophobicContact CG2-CD2 4.08Å; D337-L360 HydrophobicContact CB-CD1 4.39Å; D337-L360 HydrophobicContact CB-CD2 4.38Å; D337-L360 HydrophobicContact CB-CG 4.28Å; E339-L360 HydrophobicContact CB-CD1 4.18Å; E339-L360 HydrophobicContact CG-CD1 4.48Å; M340-L360 HydrophobicContact CE-CD1 3.77Å; M340-L360 HydrophobicContact CE-CD2 3.96Å; S358-L360 VanDerWaalsContact C-N 3.29Å; S358-L360 WeakPolarHBondContact OG-CB 3.41Å; S358-L360 PolarHBondContact OG-N 3.3Å
361L64.6Low63.4Low107 Ų10761.7 Ų61.756%0.5637%0.371SS*.  trans-33.4135.2169.2-66.8168.5000112.9M259 S359M259-L361 HydrophobicContact CE-CB 3.72Å; M259-L361 WeakPolarHBondContact CE-O 3.28Å; S359-L361 VanDerWaalsContact C-N 3.33Å; S359-L361 PolarHBondContact O-N 2.63Å
362I66.3Low64.7Low80 Ų8059.9 Ų59.941%0.4136%0.361SS..PPolyproline II helixtrans-75.5130.4174.1-65.4173.8000109.1V672I362-V672 WeakPolarHBondContact CD1-O 3.39Å
363P65.5Low66.4Low28 Ų2854.4 Ų54.418%0.18233%0.328CS..PPolyproline II helixtrans-59.2150.7173.2-23.533.6000112.6E260 H263E260-P363 WeakPolarHBondContact OE2-CB 3.4Å; E260-P363 WeakPolarHBondContact OE2-CG 3.43Å; H263-P363 HydrophobicContact CB-CG 3.85Å
364S60.9Low68.2Low68 Ų6853.4 Ų53.448%0.47631%0.311SS..PPolyproline II helixtrans-60.8129.2178.656.70000111.1R509S364-R509 PolarHBondContact O-NH1 2.92Å
365P68.2Low70.1Confident80 Ų8049.2 Ų49.252%0.51929%0.293SS..PPolyproline II helixtrans-66.7133-17526.1-34.1000111.4
366P70Confident72.1Confident27 Ų2745.6 Ų45.618%0.17527%0.272CS..PPolyproline II helixtrans-65.7143.2-176.321.9-31.4000113.6K459 E460 R509P366-K459 HydrophobicContact CB-CB 4.18Å; P366-K459 HydrophobicContact CG-CB 3.95Å; P366-K459 HydrophobicContact CG-CD 4.44Å; P366-E460 HydrophobicContact CB-CG 4.4Å; P366-E460 HydrophobicContact CG-CG 3.91Å; P366-R509 HydrophobicContact CB-CB 4.41Å; P366-R509 HydrophobicContact CB-CG 4.15Å
367T70.9Confident74.1Confident51 Ų5143.9 Ų43.931%0.31326%0.255SS..PPolyproline II helixtrans-69.6130.9-178.6-50.40000111.9E511 L542T367-E511 WeakPolarHBondContact CB-OE2 3.35Å; T367-E511 PolarHBondContact N-OE2 2.82Å; T367-E511 PolarHBondContact OG1-OE2 2.92Å; T367-L542 HydrophobicContact CG2-CD2 4.04Å
368A75.8Confident76.1Confident23 Ų2338.3 Ų38.319%0.1923%0.225CC..PPolyproline II helixtrans-73.4126.1174.700000112R457 K459 S543A368-R457 HydrophobicContact CB-CB 4.2Å; A368-R457 VanDerWaalsContact CB-O 3.31Å; A368-R457 WeakPolarHBondContact CB-O 3.33Å; A368-K459 HydrophobicContact CB-CG 4.25Å; A368-S543 PolarHBondContact O-OG 3.36Å
369I71.6Confident77.6Confident0 Ų036.9 Ų36.90%022%0.215CC..EExtended strand (participates in β ladder)trans-128.7142.4-174-66.5148.1000110.6I455 R457 G458 L510 E511 L514 F537 P540 L542I369-I455 WeakPolarHBondContact O-CG2 3.46Å; I369-R457 CarbonylContact O-C 3.35Å; I369-R457 WeakPolarHBondContact O-CA 3.31Å; I369-R457 PolarHBondContact O-N 2.75Å; I369-R457 VanDerWaalsContact O-N 3.08Å; I369-G458 PolarHBondContact N-O 2.82Å; I369-G458 PolarHBondContact O-N 3.18Å; I369-G458 VanDerWaalsContact O-N 3.11Å; I369-L510 HydrophobicContact CD1-CB 4.21Å; I369-E511 HydrophobicContact CD1-CB 3.71Å; I369-E511 VanDerWaalsContact CD1-N 3.29Å; I369-L514 HydrophobicContact CD1-CD1 3.84Å; I369-L514 HydrophobicContact CD1-CD2 3.99Å; I369-L514 HydrophobicContact CD1-CG 4.02Å; I369-L514 HydrophobicContact CG1-CD1 4.49Å; I369-L514 HydrophobicContact CG1-CD2 4.34Å; I369-L514 HydrophobicContact CG2-CD2 4Å; I369-F537 HydrophobicContact CG2-CE1 3.86Å; I369-F537 HydrophobicContact CG2-CE2 4.22Å; I369-F537 HydrophobicContact CG2-CZ 3.52Å; I369-P540 HydrophobicContact CG2-CB 4.49Å; I369-L542 HydrophobicContact CG1-CD2 4.16Å
370T77.6Confident79.1Confident30 Ų3034.4 Ų34.418%0.18420%0.197CC..EExtended strand (participates in β ladder)trans-112.9145.6174-60.70000109.7I455 D456 R457 L541T370-I455 CarbonylContact C-O 3.48Å; T370-I455 VanDerWaalsContact CA-O 3.24Å; T370-I455 WeakPolarHBondContact CA-O 3.38Å; T370-I455 WeakPolarHBondContact CG2-O 3.38Å; T370-D456 HydrophobicContact CG2-CB 4.41Å; T370-D456 WeakPolarHBondContact CG2-OD1 3.44Å; T370-D456 PolarHBondContact OG1-OD1 3.36Å; T370-R457 PolarHBondContact OG1-N 3.43Å; T370-L541 PolarHBondContact N-O 3.46Å; T370-L541 WeakPolarHBondContact O-CA 3.47Å; T370-L541 PolarHBondContact O-N 3.01Å
371G81.7Confident80.2Confident14 Ų1437.2 Ų37.214%0.14421%0.21CC..EExtended strand (participates in β ladder)trans151-160.3177.600000112I455 D539G371-I455 PolarHBondContact N-O 2.71Å; G371-I455 PolarHBondContact O-N 2.97Å; G371-D539 WeakPolarHBondContact CA-O 3.43Å
372S84Confident81.4Confident23 Ų2336.6 Ų36.616%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-117.5114.1-176.3-155.80000112T452 F453 N454 S538S372-T452 WeakPolarHBondContact OG-CG2 3.36Å; S372-F453 CarbonylContact C-O 3.59Å; S372-F453 WeakPolarHBondContact CA-O 3.47Å; S372-N454 PolarHBondContact OG-OD1 2.94Å; S372-S538 PolarHBondContact N-O 3.14Å; S372-S538 PolarHBondContact O-N 2.99Å
373L89.2Confident82.5Confident0 Ų033.2 Ų33.20%019%0.19CC..EExtended strand (participates in β ladder)trans-97.3109.2177.3176.763.6000110.5V375 T452 F453 I455 L461 L510 L513 F537L373-V375 HydrophobicContact CD1-CG2 4.35Å; L373-V375 HydrophobicContact CD2-CG2 3.93Å; L373-V375 HydrophobicContact CG-CG2 3.77Å; L373-T452 CarbonylContact O-C 3.46Å; L373-T452 WeakPolarHBondContact O-CA 3.23Å; L373-F453 PolarHBondContact N-O 3.08Å; L373-F453 PolarHBondContact O-N 3.26Å; L373-I455 HydrophobicContact CB-CD1 3.58Å; L373-I455 HydrophobicContact CB-CG1 4.23Å; L373-I455 HydrophobicContact CD2-CD1 3.76Å; L373-I455 HydrophobicContact CG-CD1 4.32Å; L373-L461 HydrophobicContact CD2-CD2 4.33Å; L373-L510 HydrophobicContact CD2-CD2 3.93Å; L373-L513 HydrophobicContact CD1-CD1 3.9Å; L373-F537 HydrophobicContact CB-CD2 4.17Å; L373-F537 HydrophobicContact CB-CE2 4.27Å; L373-F537 HydrophobicContact CD1-CB 4.36Å; L373-F537 HydrophobicContact CD1-CD2 4.03Å
374E90.1Very high83.4Confident47 Ų4732.1 Ų32.122%0.2218%0.183CC..EExtended strand (participates in β ladder)trans-81.8132.6165171.5178.7151.100110.1K450 T452 L535 K536E374-K450 HydrophobicContact CG-CD 4.36Å; E374-K450 HydrophobicContact CG-CG 4.43Å; E374-K450 VanDerWaalsContact OE1-CE 3.23Å; E374-K450 WeakPolarHBondContact OE1-CE 3.29Å; E374-K450 IonicContact OE1-NZ 2.75Å; E374-K450 PolarHBondContact OE1-NZ 3.26Å; E374-K450 WeakPolarHBondContact OE2-CE 3.48Å; E374-K450 IonicContact OE2-NZ 3.51Å; E374-K450 PolarHBondContact OE2-NZ 3.44Å; E374-T452 HydrophobicContact CB-CG2 4.48Å; E374-L535 WeakPolarHBondContact O-CA 3.4Å; E374-K536 HydrophobicContact CB-CB 4.24Å; E374-K536 PolarHBondContact N-O 3.4Å; E374-K536 PolarHBondContact O-N 3.34Å
375V92.4Very high84.5Confident0 Ų030.4 Ų30.40%017%0.168CC..EExtended strand (participates in β ladder)trans-129.2121.4175.7-175.40000109.9L373 L427 K450 T451 F453 L533 V534 L535L373-V375 HydrophobicContact CD1-CG2 4.35Å; L373-V375 HydrophobicContact CD2-CG2 3.93Å; L373-V375 HydrophobicContact CG-CG2 3.77Å; V375-L427 HydrophobicContact CB-CD1 4.1Å; V375-L427 HydrophobicContact CG1-CD1 3.66Å; V375-L427 HydrophobicContact CG2-CD1 4.43Å; V375-K450 WeakPolarHBondContact O-CA 3.45Å; V375-T451 HydrophobicContact CB-CG2 4.2Å; V375-T451 PolarHBondContact N-O 3.02Å; V375-T451 PolarHBondContact O-N 3.21Å; V375-T451 VanDerWaalsContact O-O 3.09Å; V375-F453 HydrophobicContact CB-CE2 4.26Å; V375-F453 HydrophobicContact CG2-CD2 4.1Å; V375-F453 HydrophobicContact CG2-CE2 3.79Å; V375-L533 HydrophobicContact CG1-CD2 4.35Å; V375-V534 WeakPolarHBondContact CA-O 3.49Å; V375-L535 HydrophobicContact CB-CD2 4.1Å; V375-L535 HydrophobicContact CG1-CD2 3.72Å; V375-L535 HydrophobicContact CG2-CD2 3.65Å
376R93.4Very high85.3Confident105 Ų10530.7 Ų30.740%0.39616%0.163SC..EExtended strand (participates in β ladder)trans-103.8108.3164.6-172.9-179178.1-178.8-1.4108.9L378 D448 S449 K450 L533 V534R376-L378 HydrophobicContact CG-CD2 3.9Å; R376-D448 IonicContact CZ-OD1 3.28Å; R376-D448 IonicContact CZ-OD2 2.84Å; R376-D448 IonicContact NE-OD1 3.76Å; R376-D448 PolarHBondContact NE-OD1 3.01Å; R376-D448 IonicContact NH2-OD1 3.98Å; R376-D448 PolarHBondContact NH2-OD1 3.18Å; R376-D448 IonicContact NH2-OD2 2.82Å; R376-D448 PolarHBondContact NH2-OD2 3.47Å; R376-S449 CarbonylContact C-O 2.97Å; R376-S449 WeakPolarHBondContact CA-O 3.27Å; R376-K450 HydrophobicContact CB-CB 4.42Å; R376-K450 HydrophobicContact CG-CB 4.38Å; R376-L533 CarbonylContact O-C 3.59Å; R376-L533 WeakPolarHBondContact O-CA 3.37Å; R376-V534 HydrophobicContact CB-CB 4.11Å; R376-V534 HydrophobicContact CB-CG2 4.45Å; R376-V534 PolarHBondContact N-O 2.9Å; R376-V534 PolarHBondContact O-N 3.49Å
377C92.3Very high85.9Confident0 Ų029.4 Ų29.40%015%0.154CC..EExtended strand (participates in β ladder)trans-88.9108.4176.8-1700000109.3W435 W447 D448 S449 L533C377-W435 HydrophobicContact CB-CH2 3.88Å; C377-W435 HydrophobicContact CB-CZ3 3.99Å; C377-W447 VanDerWaalsContact SG-CE3 3.51Å; C377-D448 WeakPolarHBondContact O-CA 3.33Å; C377-D448 PolarHBondContact O-N 3.43Å; C377-S449 PolarHBondContact N-O 3.2Å; C377-S449 PolarHBondContact O-N 3.4Å; C377-L533 HydrophobicContact CB-CD2 3.96Å
378L93.5Very high86.3Confident32 Ų3228.7 Ų28.717%0.16815%0.15CC..EExtended strand (participates in β ladder)trans-81.6-60.6-174.6-57.5173.3000110.6R376 Q445 C446 W447 D448 F532 V534R376-L378 HydrophobicContact CG-CD2 3.9Å; L378-Q445 CarbonylContact O-C 3.53Å; L378-Q445 VanDerWaalsContact O-CA 3.23Å; L378-Q445 WeakPolarHBondContact O-CA 3.38Å; L378-C446 PolarHBondContact O-N 3.42Å; L378-C446 VanDerWaalsContact O-N 3.14Å; L378-W447 PolarHBondContact O-N 3.06Å; L378-D448 VanDerWaalsContact CD2-OD1 3.3Å; L378-D448 WeakPolarHBondContact CD2-OD1 3.21Å; L378-D448 PolarHBondContact O-N 3.07Å; L378-F532 HydrophobicContact CB-CB 3.98Å; L378-F532 WeakPolarHBondContact CB-O 3.2Å; L378-F532 HydrophobicContact CD1-CB 4.17Å; L378-F532 PolarHBondContact N-O 2.85Å; L378-V534 HydrophobicContact CD1-CG2 4.25Å
379G92.9Very high86.3Confident0 Ų028 Ų280%015%0.145CC..EExtended strand (participates in β ladder)trans179.9-166.6-173.600000113.3N443 Q444 C446 W447 V531 F532G379-N443 CarbonylContact C-O 3.55Å; G379-N443 WeakPolarHBondContact CA-O 3.21Å; G379-Q444 WeakPolarHBondContact CA-O 3.36Å; G379-Q444 PolarHBondContact N-O 3.03Å; G379-C446 VanDerWaalsContact CA-SG 3.59Å; G379-W447 VanDerWaalsContact C-CZ3 3.5Å; G379-W447 VanDerWaalsContact CA-CE3 3.48Å; G379-V531 WeakPolarHBondContact O-CA 2.95Å; G379-F532 PolarHBondContact O-N 3.49Å
380C92.9Very high86.5Confident1 Ų134.3 Ų34.31%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-145.7160.6-179.566.50000113.4I383 N443 W447 K530 V531C380-I383 HydrophobicContact CB-CD1 4.23Å; C380-I383 HydrophobicContact CB-CG1 4.15Å; C380-N443 PolarHBondContact N-O 3.24Å; C380-N443 CarbonylContact O-C 3.45Å; C380-N443 VanDerWaalsContact O-O 3.12Å; C380-W447 HydrophobicContact CB-CH2 3.74Å; C380-W447 HydrophobicContact CB-CZ3 3.89Å; C380-W447 VanDerWaalsContact SG-CH2 3.52Å; C380-K530 CarbonylContact C-O 3.18Å; C380-K530 WeakPolarHBondContact CA-O 3.36Å; C380-K530 WeakPolarHBondContact CB-O 3.33Å; C380-V531 HydrophobicContact CB-CG2 4.08Å
381Q91.1Very high86.6Confident66 Ų6633.4 Ų33.431%0.30817%0.168SC..EExtended strand (participates in β ladder)trans-148.1155.3177.4-154-165.4-55.500111.1I383 G529 K530 F532Q381-I383 PolarHBondContact O-N 3.34Å; Q381-G529 CarbonylContact O-C 3.56Å; Q381-G529 VanDerWaalsContact O-CA 3.23Å; Q381-G529 WeakPolarHBondContact O-CA 3.3Å; Q381-K530 PolarHBondContact N-O 3.04Å; Q381-K530 PolarHBondContact O-N 2.68Å; Q381-F532 HydrophobicContact CB-CE2 4.03Å
382D88.5Confident86.3Confident94 Ų9432.8 Ų32.850%0.50316%0.162SC..SBendtrans53.725.4170.5-43.5-36.9000115.8G529D382-G529 WeakPolarHBondContact O-CA 3.15Å; D382-G529 PolarHBondContact O-N 2.89Å; D382-G529 VanDerWaalsContact O-N 3.14Å
383I89.1Confident85.5Confident9 Ų933.9 Ų33.95%0.04617%0.166CC..  trans-60.6154.8173.6-54.1-63.5000109.5C380 Q381 D385 W420 V465 A503 A504 M525C380-I383 HydrophobicContact CB-CD1 4.23Å; C380-I383 HydrophobicContact CB-CG1 4.15Å; Q381-I383 PolarHBondContact O-N 3.34Å; I383-D385 PolarHBondContact O-N 3.49Å; I383-W420 WeakPolarHBondContact O-CH2 3.13Å; I383-V465 HydrophobicContact CD1-CG2 4.48Å; I383-V465 HydrophobicContact CG1-CG1 4.44Å; I383-A503 HydrophobicContact CG2-CB 3.84Å; I383-A504 HydrophobicContact CD1-CB 3.93Å; I383-A504 HydrophobicContact CG2-CB 3.85Å; I383-M525 HydrophobicContact CD1-CB 4.34Å; I383-M525 HydrophobicContact CD1-CG 4Å
384V85.8Confident84.4Confident5 Ų536.1 Ų36.13%0.0318%0.177CC..  trans-62.8138.5178.180.40000111.3F387 A503 M528V384-F387 HydrophobicContact CG1-CD2 4.24Å; V384-F387 HydrophobicContact CG1-CE2 3.47Å; V384-F387 VanDerWaalsContact CG1-CE2 3.47Å; V384-F387 HydrophobicContact CG1-CZ 4.09Å; V384-A503 WeakPolarHBondContact CG1-O 3.35Å; V384-M528 HydrophobicContact CB-CG 3.93Å; V384-M528 HydrophobicContact CB-SD 4.11Å; V384-M528 HydrophobicContact CG2-CE 3.99Å; V384-M528 HydrophobicContact CG2-CG 4.4Å; V384-M528 HydrophobicContact CG2-SD 4.04Å
385D83.9Confident83Confident31 Ų3140.4 Ų40.417%0.16620%0.197CC..  trans-113.412.2-17563.95.5000114I383 T412 S413 R414 W420 W467I383-D385 PolarHBondContact O-N 3.49Å; D385-T412 WeakPolarHBondContact O-CA 3.06Å; D385-T412 VanDerWaalsContact O-CB 3.23Å; D385-T412 WeakPolarHBondContact O-CB 3.31Å; D385-T412 PolarHBondContact O-OG1 3.14Å; D385-S413 WeakPolarHBondContact CB-OG 3.09Å; D385-S413 PolarHBondContact O-N 2.87Å; D385-R414 HydrophobicContact CB-CG 4.48Å; D385-R414 IonicContact OD2-CZ 3.2Å; D385-R414 IonicContact OD2-NE 3.62Å; D385-R414 PolarHBondContact OD2-NE 3.47Å; D385-R414 IonicContact OD2-NH2 2.79Å; D385-R414 PolarHBondContact OD2-NH2 2.84Å; D385-W420 HydrophobicContact CB-CH2 3.63Å; D385-W420 HydrophobicContact CB-CZ2 4.15Å; D385-W420 HydrophobicContact CB-CZ3 4.04Å; D385-W467 WeakPolarHBondContact O-CZ3 3.38Å
386H84.5Confident81.7Confident87 Ų8741.3 Ų41.340%0.40320%0.202SC..EExtended strand (participates in β ladder)trans-147.1136.5-177.257.356.2000113.4V410 M411H386-V410 HydrophobicContact CB-CG1 3.81Å; H386-M411 CarbonylContact C-O 3.6Å; H386-M411 WeakPolarHBondContact CA-O 3.36Å
387F82.1Confident79.8Confident0 Ų038.2 Ų38.20%020%0.196CC..EExtended strand (participates in β ladder)trans-137.1142.7174.9-85.9-105.6000111.8Y309 L310 V384 A389 I391 V392 V410 M411 W467 V501 L502 A503Y309-F387 AromaticContact CD1-CD1 3.8Å; Y309-F387 HydrophobicContact CD1-CD1 3.8Å; Y309-F387 AromaticContact CD1-CE1 3.58Å; Y309-F387 HydrophobicContact CD1-CE1 3.58Å; Y309-F387 HydrophobicContact CD1-CZ 4.48Å; Y309-F387 AromaticContact CE1-CD1 3.72Å; Y309-F387 HydrophobicContact CE1-CD1 3.72Å; Y309-F387 AromaticContact CE1-CE1 3.8Å; Y309-F387 HydrophobicContact CE1-CE1 3.8Å; Y309-F387 HydrophobicContact CE1-CG 4.4Å; L310-F387 HydrophobicContact CD2-CE1 4.47Å; L310-F387 HydrophobicContact CD2-CZ 3.92Å; V384-F387 HydrophobicContact CG1-CD2 4.24Å; V384-F387 HydrophobicContact CG1-CE2 3.47Å; V384-F387 VanDerWaalsContact CG1-CE2 3.47Å; V384-F387 HydrophobicContact CG1-CZ 4.09Å; F387-A389 PolarHBondContact O-N 3.42Å; F387-I391 HydrophobicContact CD1-CG2 4.34Å; F387-V392 HydrophobicContact CB-CG2 3.46Å; F387-V392 VanDerWaalsContact CB-CG2 3.46Å; F387-V392 HydrophobicContact CD1-CG2 4.41Å; F387-V392 HydrophobicContact CG-CG2 4.18Å; F387-V410 CarbonylContact O-C 3.29Å; F387-V410 WeakPolarHBondContact O-CA 3.39Å; F387-M411 PolarHBondContact N-O 3.25Å; F387-M411 PolarHBondContact O-N 2.94Å; F387-W467 HydrophobicContact CB-CZ2 4.18Å; F387-W467 AromaticContact CD2-CE2 3.95Å; F387-W467 AromaticContact CD2-CH2 3.65Å; F387-W467 HydrophobicContact CD2-CH2 3.65Å; F387-W467 AromaticContact CD2-CZ2 3.27Å; F387-W467 HydrophobicContact CD2-CZ2 3.27Å; F387-W467 HydrophobicContact CD2-CZ3 4.49Å; F387-W467 HydrophobicContact CE2-CH2 4.37Å; F387-W467 AromaticContact CE2-CZ2 3.91Å; F387-W467 HydrophobicContact CE2-CZ2 3.91Å; F387-W467 HydrophobicContact CG-CZ2 4.02Å; F387-V501 HydrophobicContact CD1-CG1 4.13Å; F387-V501 HydrophobicContact CD2-CG1 4.41Å; F387-V501 HydrophobicContact CE1-CG1 4.01Å; F387-V501 HydrophobicContact CE2-CG1 4.29Å; F387-V501 HydrophobicContact CG-CG1 4.33Å; F387-V501 HydrophobicContact CZ-CG1 4.1Å; F387-L502 WeakPolarHBondContact CZ-O 3.37Å; F387-A503 HydrophobicContact CE2-CB 4.29Å
388P81Confident77.8Confident36 Ų3641.9 Ų41.923%0.23423%0.234CC..EExtended strand (participates in β ladder)trans-56.6130.8168.3-2434.2000111.4Y309 E390 I391 V392Y309-P388 HydrophobicContact CE2-CG 4.02Å; Y309-P388 VanDerWaalsContact OH-CD 3.31Å; Y309-P388 WeakPolarHBondContact OH-CD 3.32Å; P388-E390 PolarHBondContact O-N 2.94Å; P388-I391 HydrophobicContact CB-CD1 4.14Å; P388-I391 HydrophobicContact CB-CG1 4.27Å; P388-I391 HydrophobicContact CG-CD1 3.99Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 2.85Å; P388-V392 PolarHBondContact O-N 3.27Å
389A75.2Confident75.2Confident8 Ų845.4 Ų45.47%0.06626%0.258CS..Hα-helixtrans-61.9-28.9-177.400000112.9F387 I391 V392 N393 V407 P408 S409F387-A389 PolarHBondContact O-N 3.42Å; A389-I391 PolarHBondContact O-N 2.92Å; A389-V392 PolarHBondContact O-N 2.97Å; A389-N393 VanDerWaalsContact O-CB 3.26Å; A389-N393 WeakPolarHBondContact O-CB 3.35Å; A389-N393 PolarHBondContact O-N 3.18Å; A389-N393 PolarHBondContact O-ND2 3.29Å; A389-V407 HydrophobicContact CB-CG1 4.23Å; A389-P408 WeakPolarHBondContact CB-O 3.44Å; A389-S409 PolarHBondContact N-O 3.48Å
390E75Confident72.4Confident132 Ų13250.7 Ų50.762%0.61729%0.294SS*.Hα-helixtrans-59.2-28.7172.7-60.7178.3169.900113.3W348 P388 N394W348-E390 HydrophobicContact CH2-CB 3.68Å; W348-E390 HydrophobicContact CZ2-CB 4.16Å; P388-E390 PolarHBondContact O-N 2.94Å; E390-N394 WeakPolarHBondContact O-CB 3.19Å
391I79.2Confident69.6Low11 Ų1156.7 Ų56.76%0.05633%0.331CS..Hα-helixtrans-88.9-29.4-179.9-64.7177.7000110.8L305 H306 Y309 W348 F387 P388 A389L305-I391 HydrophobicContact CG-CG2 4.38Å; H306-I391 PolarHBondContact NE2-O 3Å; Y309-I391 HydrophobicContact CD1-CD1 4.28Å; Y309-I391 HydrophobicContact CD2-CD1 3.24Å; Y309-I391 HydrophobicContact CE2-CD1 3.72Å; Y309-I391 HydrophobicContact CG-CD1 3.55Å; W348-I391 HydrophobicContact CH2-CG1 4.12Å; W348-I391 HydrophobicContact CZ2-CG1 4.4Å; F387-I391 HydrophobicContact CD1-CG2 4.34Å; P388-I391 HydrophobicContact CB-CD1 4.14Å; P388-I391 HydrophobicContact CB-CG1 4.27Å; P388-I391 HydrophobicContact CG-CD1 3.99Å; P388-I391 WeakPolarHBondContact O-CB 3.42Å; P388-I391 PolarHBondContact O-N 2.85Å; A389-I391 PolarHBondContact O-N 2.92Å
392V75.7Confident67Low2 Ų259.7 Ų59.71%0.01235%0.354CS..Hα-helixtrans-85.5-35.7-176.6173.10000112.9R302 F387 P388 A389 M411 V501R302-V392 PolarHBondContact NH2-O 2.89Å; F387-V392 HydrophobicContact CB-CG2 3.46Å; F387-V392 VanDerWaalsContact CB-CG2 3.46Å; F387-V392 HydrophobicContact CD1-CG2 4.41Å; F387-V392 HydrophobicContact CG-CG2 4.18Å; P388-V392 PolarHBondContact O-N 3.27Å; A389-V392 PolarHBondContact O-N 2.97Å; V392-M411 HydrophobicContact CG1-SD 3.72Å; V392-V501 HydrophobicContact CB-CG2 4.19Å; V392-V501 HydrophobicContact CG1-CG2 3.71Å; V392-V501 HydrophobicContact CG2-CG1 4.43Å; V392-V501 HydrophobicContact CG2-CG2 4.04Å
393N68.9Low64.6Low46 Ų4664.2 Ų64.225%0.24636%0.364CS..SBendtrans-109.93.6-170.7-59.8-36.9000114.3A389 E395 R469A389-N393 VanDerWaalsContact O-CB 3.26Å; A389-N393 WeakPolarHBondContact O-CB 3.35Å; A389-N393 PolarHBondContact O-N 3.18Å; A389-N393 PolarHBondContact O-ND2 3.29Å; N393-E395 PolarHBondContact O-N 3.5Å; N393-E395 VanDerWaalsContact O-N 3.16Å; N393-R469 VanDerWaalsContact OD1-CZ 3.23Å; N393-R469 PolarHBondContact OD1-NH1 2.85Å; N393-R469 PolarHBondContact OD1-NH2 2.73Å
394N65.5Low62.3Low46 Ų4669.9 Ų69.925%0.24639%0.393CS..  trans-58.6119.8179.1-169.6-0.4000110.7L305 W348 E390 L396L305-N394 HydrophobicContact CD2-CB 4.39Å; W348-N394 PolarHBondContact NE1-ND2 2.86Å; E390-N394 WeakPolarHBondContact O-CB 3.19Å; N394-L396 WeakPolarHBondContact ND2-CD2 3.4Å; N394-L396 PolarHBondContact O-N 3.32Å; N394-L396 PolarHBondContact OD1-N 2.79Å
395E60.3Low60.2Low137 Ų13777.8 Ų77.864%0.6442%0.424SS*.  trans-71.7-10.7174.6-66.3-168162.800113N393 S397N393-E395 PolarHBondContact O-N 3.5Å; N393-E395 VanDerWaalsContact O-N 3.16Å; E395-S397 VanDerWaalsContact CB-OG 3.29Å; E395-S397 WeakPolarHBondContact CB-OG 3.48Å; E395-S397 PolarHBondContact O-N 2.85Å; E395-S397 PolarHBondContact OE2-OG 3.2Å
396L65.6Low58.7Low20 Ų2081.7 Ų81.711%0.10545%0.454CS..  trans58.311.3-178.2-62.5159.2000113.8F272 V279 L298 A301 R302 L305 N394 G398F272-L396 HydrophobicContact CE2-CD2 4.1Å; F272-L396 HydrophobicContact CZ-CD2 4.45Å; V279-L396 HydrophobicContact CG1-CB 4.43Å; L298-L396 HydrophobicContact CD2-CB 4.01Å; L298-L396 HydrophobicContact CD2-CD1 4.32Å; A301-L396 HydrophobicContact CB-CD1 3.92Å; R302-L396 HydrophobicContact CB-CD1 4.1Å; L305-L396 HydrophobicContact CD2-CD2 4.45Å; N394-L396 WeakPolarHBondContact ND2-CD2 3.4Å; N394-L396 PolarHBondContact O-N 3.32Å; N394-L396 PolarHBondContact OD1-N 2.79Å; L396-G398 PolarHBondContact O-N 3.35Å
397S52.8Low57.3Low39 Ų3981 Ų8127%0.27346%0.455SS..  trans-86.9-4.3-161.649.30000115.4E395 T399E395-S397 VanDerWaalsContact CB-OG 3.29Å; E395-S397 WeakPolarHBondContact CB-OG 3.48Å; E395-S397 PolarHBondContact O-N 2.85Å; E395-S397 PolarHBondContact OE2-OG 3.2Å; S397-T399 PolarHBondContact O-N 3.39Å; S397-T399 PolarHBondContact OG-OG1 3Å
398G49.4Very low56.2Low77 Ų7783.7 Ų83.779%0.79447%0.472SS*.  trans73.9-14.3178.200000115.6L396L396-G398 PolarHBondContact O-N 3.35Å
399T39.6Very low55.6Low107 Ų10786.9 Ų86.966%0.65650%0.496SS*.  trans-75.3139.8175.343.40000111.6S397 T401S397-T399 PolarHBondContact O-N 3.39Å; S397-T399 PolarHBondContact OG-OG1 3Å; T399-T401 PolarHBondContact O-N 2.79Å
400S34.8Very low55.4Low111 Ų11190.1 Ų90.178%0.77652%0.515SS*.  trans-79.3112.3-175.4-68.40000112.5T402S400-T402 PolarHBondContact O-N 3.43Å; S400-T402 VanDerWaalsContact O-N 3.1Å
401T34Very low55.4Low126 Ų12685.1 Ų85.177%0.77349%0.491SS*.  trans30.467.1148.142.90000117.5T399 R403T399-T401 PolarHBondContact O-N 2.79Å; T401-R403 PolarHBondContact O-N 2.86Å; T401-R403 VanDerWaalsContact O-N 3.08Å
402T36.7Very low55.4Low130 Ų13087.3 Ų87.380%0.79851%0.505SS*.  trans-57.7113.7153-37.90000107.7S400 I404S400-T402 PolarHBondContact O-N 3.43Å; S400-T402 VanDerWaalsContact O-N 3.1Å; T402-I404 PolarHBondContact O-N 2.81Å
403R37.4Very low55.4Low189 Ų18987.3 Ų87.371%0.71351%0.505SS*.  trans-7089.5-175.6-68.7-175.4-176.1175.91.8111.3T401 Y405T401-R403 PolarHBondContact O-N 2.86Å; T401-R403 VanDerWaalsContact O-N 3.08Å; R403-Y405 VanDerWaalsContact C-N 3.3Å; R403-Y405 HydrophobicContact CB-CD2 4.3Å; R403-Y405 HydrophobicContact CB-CE2 3.86Å; R403-Y405 WeakPolarHBondContact CD-OH 3.24Å; R403-Y405 PolarHBondContact NH1-OH 2.86Å; R403-Y405 VanDerWaalsContact O-CD2 3.24Å; R403-Y405 WeakPolarHBondContact O-CD2 3.43Å; R403-Y405 PolarHBondContact O-N 3.44Å
404I41.5Very low55.7Low127 Ų12790 Ų9065%0.65151%0.512SS*.  trans-73.490.3164.4-54.8179.8000107.3T402 V407T402-I404 PolarHBondContact O-N 2.81Å; I404-V407 HydrophobicContact CB-CG2 4.31Å; I404-V407 HydrophobicContact CG2-CG2 3.91Å
405Y42Very low55.9Low172 Ų17292 Ų9268%0.67553%0.526SS*.THydrogen-bonded Turntrans-57148.8170-64.2-85.7000109.9R403R403-Y405 VanDerWaalsContact C-N 3.3Å; R403-Y405 HydrophobicContact CB-CD2 4.3Å; R403-Y405 HydrophobicContact CB-CE2 3.86Å; R403-Y405 WeakPolarHBondContact CD-OH 3.24Å; R403-Y405 PolarHBondContact NH1-OH 2.86Å; R403-Y405 VanDerWaalsContact O-CD2 3.24Å; R403-Y405 WeakPolarHBondContact O-CD2 3.43Å; R403-Y405 PolarHBondContact O-N 3.44Å
406S51.8Low56.3Low113 Ų11388.1 Ų88.179%0.7951%0.514SS*.THydrogen-bonded Turntrans77.113.7-179.6910000119.5
407V54.8Low56.4Low71 Ų7194.8 Ų94.843%0.4355%0.545SS..  trans-77.8126.2164.1-173.80000109.7A389 I404A389-V407 HydrophobicContact CB-CG1 4.23Å; I404-V407 HydrophobicContact CB-CG2 4.31Å; I404-V407 HydrophobicContact CG2-CG2 3.91Å
408P60Low57.1Low57 Ų5799.8 Ų99.837%0.3757%0.568SS.*  trans-59.5146.6173.6-24.734.9000112A389 V410 L472A389-P408 WeakPolarHBondContact CB-O 3.44Å; P408-V410 PolarHBondContact O-N 3.49Å; P408-L472 HydrophobicContact CG-CD2 4.14Å; P408-L472 HydrophobicContact CG-CG 4.25Å
409S67.1Low58.2Low103 Ų103101.4 Ų101.472%0.7256%0.555SS**SBendtrans-67.1-24.6177.952.10000113.5A389A389-S409 PolarHBondContact N-O 3.48Å
410V71.5Confident60.1Low77 Ų7798.7 Ų98.747%0.46753%0.533SS..EExtended strand (participates in β ladder)trans-129.5136.9-179.9179.90000109.3H386 F387 P408H386-V410 HydrophobicContact CB-CG1 3.81Å; F387-V410 CarbonylContact O-C 3.29Å; F387-V410 WeakPolarHBondContact O-CA 3.39Å; P408-V410 PolarHBondContact O-N 3.49Å
411M75.6Confident62.4Low26 Ų2693.9 Ų93.913%0.12850%0.499CS..EExtended strand (participates in β ladder)trans-106.2145.9170.5-170.1156.8-155.400110.3H386 F387 V392 R469H386-M411 CarbonylContact C-O 3.6Å; H386-M411 WeakPolarHBondContact CA-O 3.36Å; F387-M411 PolarHBondContact N-O 3.25Å; F387-M411 PolarHBondContact O-N 2.94Å; V392-M411 HydrophobicContact CG1-SD 3.72Å; M411-R469 HydrophobicContact CE-CG 3.7Å; M411-R469 HydrophobicContact SD-CG 4.41Å
412T78.3Confident65Low57 Ų5789.9 Ų89.935%0.3547%0.473SS..EExtended strand (participates in β ladder)trans-131.6158.9-175.4-176.60000112.7D385 R414D385-T412 WeakPolarHBondContact O-CA 3.06Å; D385-T412 VanDerWaalsContact O-CB 3.23Å; D385-T412 WeakPolarHBondContact O-CB 3.31Å; D385-T412 PolarHBondContact O-OG1 3.14Å; T412-R414 PolarHBondContact OG1-N 3.37Å; T412-R414 VanDerWaalsContact OG1-N 3.13Å
413S76.3Confident67.7Low2 Ų283.9 Ų83.91%0.01444%0.436CS..SBendtrans-79.7-20.3167.2370000113.4D385 T415 W420 V421 W467D385-S413 WeakPolarHBondContact CB-OG 3.09Å; D385-S413 PolarHBondContact O-N 2.87Å; S413-T415 PolarHBondContact O-N 2.9Å; S413-W420 CarbonylContact O-C 3.55Å; S413-W420 WeakPolarHBondContact O-CA 3.29Å; S413-W420 VanDerWaalsContact OG-CE3 3.25Å; S413-W420 VanDerWaalsContact OG-CZ3 3.31Å; S413-W420 WeakPolarHBondContact OG-CZ3 3.23Å; S413-V421 PolarHBondContact O-N 3.18Å; S413-W467 VanDerWaalsContact CB-CZ3 3.5Å; S413-W467 VanDerWaalsContact OG-CZ3 3.31Å; S413-W467 WeakPolarHBondContact OG-CZ3 3.48Å
414R75.1Confident70.4Confident103 Ų10377.8 Ų77.839%0.38941%0.413SS..EExtended strand (participates in β ladder)trans-80.2111.5-170.7-64.4-160.4-163.8-142.78.5110.3D385 T412 S416 E417 H419D385-R414 HydrophobicContact CB-CG 4.48Å; D385-R414 IonicContact OD2-CZ 3.2Å; D385-R414 IonicContact OD2-NE 3.62Å; D385-R414 PolarHBondContact OD2-NE 3.47Å; D385-R414 IonicContact OD2-NH2 2.79Å; D385-R414 PolarHBondContact OD2-NH2 2.84Å; T412-R414 PolarHBondContact OG1-N 3.37Å; T412-R414 VanDerWaalsContact OG1-N 3.13Å; R414-S416 VanDerWaalsContact C-N 3.3Å; R414-E417 PolarHBondContact NH1-O 3.22Å; R414-H419 CarbonylContact C-O 3.57Å; R414-H419 WeakPolarHBondContact CA-O 3.31Å
415T70.3Confident72.9Confident87 Ų8771.8 Ų71.853%0.53438%0.382SS..EExtended strand (participates in β ladder)trans-78.2-22.6171.158.10000111.2S413 H419 V421S413-T415 PolarHBondContact O-N 2.9Å; T415-H419 PolarHBondContact N-O 3.02Å; T415-H419 VanDerWaalsContact OG1-CB 3.28Å; T415-H419 WeakPolarHBondContact OG1-CB 3.49Å; T415-H419 PolarHBondContact OG1-O 3.41Å; T415-V421 HydrophobicContact CG2-CG1 4.05Å
416S68.8Low75.4Confident56 Ų5663.6 Ų63.639%0.39235%0.35SS..EExtended strand (participates in β ladder)trans-156.4172.8162.756.60000108.3R414 N418 H419R414-S416 VanDerWaalsContact C-N 3.3Å; S416-N418 PolarHBondContact O-N 3.4Å; S416-H419 PolarHBondContact O-N 3.42Å; S416-H419 VanDerWaalsContact O-O 3.11Å; S416-H419 WeakPolarHBondContact OG-CB 3.2Å; S416-H419 PolarHBondContact OG-ND1 3.17Å
417E66.5Low77.5Confident161 Ų16158.2 Ų58.275%0.75231%0.312SS*.THydrogen-bonded Turntrans-48.6-36.7-176.2-61.4-176.2142.100114R414R414-E417 PolarHBondContact NH1-O 3.22Å
418N67.7Low79.4Confident143 Ų14355 Ų5577%0.76529%0.292SS*.THydrogen-bonded Turntrans-104.2-5.8-176.7-65.6-27.8000115.1S416S416-N418 PolarHBondContact O-N 3.4Å
419H72.5Confident80.9Confident112 Ų11253.3 Ų53.352%0.51928%0.28SS..EExtended strand (participates in β ladder)trans-118.6130.8-176.9-65.495.5000112R414 T415 S416R414-H419 CarbonylContact C-O 3.57Å; R414-H419 WeakPolarHBondContact CA-O 3.31Å; T415-H419 PolarHBondContact N-O 3.02Å; T415-H419 VanDerWaalsContact OG1-CB 3.28Å; T415-H419 WeakPolarHBondContact OG1-CB 3.49Å; T415-H419 PolarHBondContact OG1-O 3.41Å; S416-H419 PolarHBondContact O-N 3.42Å; S416-H419 VanDerWaalsContact O-O 3.11Å; S416-H419 WeakPolarHBondContact OG-CB 3.2Å; S416-H419 PolarHBondContact OG-ND1 3.17Å
420W78.5Confident81.8Confident49 Ų4951.7 Ų51.719%0.18626%0.264CS..EExtended strand (participates in β ladder)trans-102.9162.9177.7-72.764.3000110.8I383 D385 S413 Q441 P442I383-W420 WeakPolarHBondContact O-CH2 3.13Å; D385-W420 HydrophobicContact CB-CH2 3.63Å; D385-W420 HydrophobicContact CB-CZ2 4.15Å; D385-W420 HydrophobicContact CB-CZ3 4.04Å; S413-W420 CarbonylContact O-C 3.55Å; S413-W420 WeakPolarHBondContact O-CA 3.29Å; S413-W420 VanDerWaalsContact OG-CE3 3.25Å; S413-W420 VanDerWaalsContact OG-CZ3 3.31Å; S413-W420 WeakPolarHBondContact OG-CZ3 3.23Å; W420-Q441 PolarHBondContact O-NE2 3.48Å; W420-Q441 PolarHBondContact O-OE1 3.15Å; W420-Q441 VanDerWaalsContact O-OE1 3.05Å; W420-P442 HydrophobicContact CB-CG 3.53Å; W420-P442 HydrophobicContact CD2-CG 3.77Å; W420-P442 HydrophobicContact CE3-CG 3.96Å; W420-P442 HydrophobicContact CG-CG 3.59Å
421V83.8Confident82.6Confident10 Ų1053.1 Ų53.16%0.06127%0.265CS..PPolyproline II helixtrans-73.6159.4156.5-64.20000111.1S413 T415 W467 K468 M470S413-V421 PolarHBondContact O-N 3.18Å; T415-V421 HydrophobicContact CG2-CG1 4.05Å; V421-W467 HydrophobicContact CG2-CB 3.98Å; V421-K468 WeakPolarHBondContact CB-O 3.5Å; V421-K468 VanDerWaalsContact CG1-O 3.28Å; V421-K468 WeakPolarHBondContact CG1-O 3.26Å; V421-K468 WeakPolarHBondContact CG2-O 3.31Å; V421-M470 HydrophobicContact CG1-CB 4.48Å
422D89.8Confident83.1Confident43 Ų4359.3 Ų59.323%0.2329%0.291CS..PPolyproline II helixtrans-61146.5176.7-59.7-33.2000112.1W439 R440 Q441 K468D422-W439 HydrophobicContact CB-CB 3.91Å; D422-W439 HydrophobicContact CB-CE3 4.27Å; D422-R440 CarbonylContact C-O 3.56Å; D422-R440 WeakPolarHBondContact CA-O 3.43Å; D422-Q441 PolarHBondContact OD1-NE2 2.98Å; D422-K468 HydrophobicContact CB-CB 4.25Å; D422-K468 HydrophobicContact CB-CD 4.27Å; D422-K468 VanDerWaalsContact O-CB 3.32Å; D422-K468 WeakPolarHBondContact O-CB 3.46Å; D422-K468 PolarHBondContact O-N 3.06Å
423V92.2Very high83.7Confident3 Ų360.5 Ų60.52%0.01829%0.289CS..EExtended strand (participates in β ladder)trans-116.5152.4175.1-67.30000112.4W439 R440 P442 W447 V465 Y466 W467V423-W439 WeakPolarHBondContact O-CA 3.32Å; V423-R440 VanDerWaalsContact CG2-O 3.22Å; V423-R440 WeakPolarHBondContact CG2-O 3.17Å; V423-R440 PolarHBondContact N-O 3.44Å; V423-R440 PolarHBondContact O-N 3Å; V423-P442 HydrophobicContact CG1-CB 4.3Å; V423-P442 HydrophobicContact CG1-CG 4.44Å; V423-P442 HydrophobicContact CG2-CB 3.72Å; V423-P442 HydrophobicContact CG2-CG 4.39Å; V423-W447 HydrophobicContact CB-CZ2 4.03Å; V423-W447 HydrophobicContact CG2-CH2 4.38Å; V423-W447 HydrophobicContact CG2-CZ2 3.59Å; V423-W447 PolarHBondContact O-NE1 3.23Å; V423-W447 VanDerWaalsContact O-NE1 3.07Å; V423-V465 HydrophobicContact CB-CG1 4.24Å; V423-V465 HydrophobicContact CG1-CG1 4.47Å; V423-Y466 CarbonylContact C-O 3.52Å; V423-Y466 WeakPolarHBondContact CA-O 3.39Å; V423-Y466 WeakPolarHBondContact CB-O 3.41Å; V423-W467 HydrophobicContact CG1-CB 4.28Å
424R93.3Very high84.4Confident62 Ų6263.2 Ų63.223%0.23431%0.306CS..EExtended strand (participates in β ladder)trans-131.1130.3176.5161.2173.4163.9-171.21.1109.5D436 S437 W439 V465 Y466R424-D436 IonicContact CZ-OD1 2.87Å; R424-D436 VanDerWaalsContact CZ-OD1 3.28Å; R424-D436 IonicContact CZ-OD2 3.69Å; R424-D436 VanDerWaalsContact NE-CG 3.32Å; R424-D436 IonicContact NE-OD1 2.76Å; R424-D436 PolarHBondContact NE-OD1 3.3Å; R424-D436 IonicContact NE-OD2 3.26Å; R424-D436 IonicContact NH2-OD1 2.67Å; R424-D436 PolarHBondContact NH2-OD1 2.85Å; R424-D436 IonicContact NH2-OD2 3.9Å; R424-D436 PolarHBondContact NH2-OD2 3.36Å; R424-S437 VanDerWaalsContact CA-OG 3.32Å; R424-S437 WeakPolarHBondContact CA-OG 3.18Å; R424-W439 HydrophobicContact CB-CD2 3.81Å; R424-W439 HydrophobicContact CB-CE3 3.49Å; R424-W439 VanDerWaalsContact CB-CE3 3.49Å; R424-W439 HydrophobicContact CB-CH2 3.98Å; R424-W439 HydrophobicContact CB-CZ2 4.26Å; R424-W439 HydrophobicContact CB-CZ3 3.57Å; R424-V465 WeakPolarHBondContact O-CA 3.25Å; R424-Y466 PolarHBondContact N-O 2.84Å; R424-Y466 PolarHBondContact O-N 3.15Å
425C95Very high85.3Confident0 Ų060.3 Ų60.30%030%0.295CS..EExtended strand (participates in β ladder)trans-86.2144166-1730000109.6W435 D436 S437 W447 Q464C425-W435 HydrophobicContact CB-CZ3 4.28Å; C425-D436 WeakPolarHBondContact O-CA 3.41Å; C425-S437 PolarHBondContact N-OG 3.01Å; C425-S437 PolarHBondContact O-N 3.21Å; C425-W447 HydrophobicContact CB-CD2 4.07Å; C425-W447 HydrophobicContact CB-CE3 3.79Å; C425-W447 HydrophobicContact CB-CH2 3.66Å; C425-W447 HydrophobicContact CB-CZ2 3.91Å; C425-W447 HydrophobicContact CB-CZ3 3.6Å; C425-Q464 CarbonylContact C-O 3.52Å; C425-Q464 WeakPolarHBondContact CA-O 3.42Å
426S94.4Very high86.4Confident0 Ų058.6 Ų58.60%028%0.282CS..EExtended strand (participates in β ladder)trans-131.7134174.6-56.90000108.7R433 W435 D436 Q464 Y466S426-R433 VanDerWaalsContact CB-NH1 3.29Å; S426-R433 PolarHBondContact OG-NH1 3.43Å; S426-W435 WeakPolarHBondContact CA-O 3.29Å; S426-D436 VanDerWaalsContact CB-OD1 3.25Å; S426-D436 WeakPolarHBondContact CB-OD1 3.33Å; S426-D436 PolarHBondContact OG-OD1 3.37Å; S426-Q464 PolarHBondContact N-O 3.1Å; S426-Q464 PolarHBondContact O-N 3.22Å; S426-Y466 WeakPolarHBondContact OG-CD2 3.36Å; S426-Y466 WeakPolarHBondContact OG-CE2 3.4Å
427L95.5Very high87.6Confident0 Ų056.2 Ų56.20%027%0.266CS..EExtended strand (participates in β ladder)trans-112.4132.3178.4-59.1173.4000109V375 V434 W435 T451 F453 L461 V463V375-L427 HydrophobicContact CB-CD1 4.1Å; V375-L427 HydrophobicContact CG1-CD1 3.66Å; V375-L427 HydrophobicContact CG2-CD1 4.43Å; L427-V434 HydrophobicContact CB-CG2 4.29Å; L427-V434 VanDerWaalsContact O-CG2 3.24Å; L427-V434 WeakPolarHBondContact O-CG2 3.33Å; L427-V434 PolarHBondContact O-N 2.91Å; L427-W435 HydrophobicContact CB-CB 4.33Å; L427-W435 HydrophobicContact CB-CE3 4.39Å; L427-W435 HydrophobicContact CD1-CD2 4.24Å; L427-W435 HydrophobicContact CD1-CE3 3.6Å; L427-W435 HydrophobicContact CD1-CZ3 4.15Å; L427-W435 HydrophobicContact CG-CE3 3.74Å; L427-W435 HydrophobicContact CG-CZ3 4.3Å; L427-W435 PolarHBondContact N-O 3.21Å; L427-W435 PolarHBondContact O-N 2.66Å; L427-T451 HydrophobicContact CD1-CG2 4.24Å; L427-F453 HydrophobicContact CB-CZ 4.37Å; L427-F453 HydrophobicContact CD1-CE2 3.97Å; L427-F453 HydrophobicContact CD1-CZ 4.03Å; L427-L461 HydrophobicContact CB-CD1 4.25Å; L427-L461 HydrophobicContact CD2-CD1 4.28Å; L427-V463 HydrophobicContact CD2-CB 4.35Å; L427-V463 HydrophobicContact CD2-CG1 4.07Å; L427-V463 HydrophobicContact CD2-CG2 3.88Å
428L94.7Very high88.8Confident3 Ų351 Ų512%0.01625%0.246CC..EExtended strand (participates in β ladder)trans-130.1140.5-178.3-51.780.5000108.4K432 R433 L461 E462 Q464L428-K432 CarbonylContact C-O 3.53Å; L428-K432 WeakPolarHBondContact CA-O 3.49Å; L428-R433 HydrophobicContact CD2-CB 4.33Å; L428-R433 HydrophobicContact CG-CB 4.17Å; L428-L461 WeakPolarHBondContact O-CA 3.46Å; L428-E462 HydrophobicContact CB-CB 4.14Å; L428-E462 HydrophobicContact CD1-CG 4.24Å; L428-E462 PolarHBondContact N-O 3.21Å; L428-E462 PolarHBondContact O-N 3.35Å; L428-Q464 HydrophobicContact CD1-CB 4.25Å; L428-Q464 HydrophobicContact CD1-CG 3.83Å; L428-Q464 VanDerWaalsContact CD2-NE2 3.3Å
429I91.4Very high89.9Confident22 Ų2247.3 Ų47.311%0.11322%0.221CC..EExtended strand (participates in β ladder)trans-110.5123.2170.1-57.6-62000107H431 K432 V434 I455 E460 L461I429-H431 VanDerWaalsContact C-N 3.31Å; I429-H431 PolarHBondContact O-N 3.36Å; I429-K432 PolarHBondContact N-O 3.03Å; I429-K432 WeakPolarHBondContact O-CB 3.28Å; I429-K432 PolarHBondContact O-N 3.13Å; I429-V434 HydrophobicContact CB-CG1 4.43Å; I429-V434 HydrophobicContact CG1-CG1 4.16Å; I429-V434 HydrophobicContact CG1-CG2 4Å; I429-I455 HydrophobicContact CD1-CD1 3.79Å; I429-I455 HydrophobicContact CG1-CD1 4.33Å; I429-I455 HydrophobicContact CG2-CG2 4.43Å; I429-E460 WeakPolarHBondContact CA-O 3.37Å; I429-L461 HydrophobicContact CD1-CB 4.19Å; I429-L461 HydrophobicContact CD1-CD1 3.65Å
430D87.4Confident90.9Very high70 Ų7048 Ų4837%0.37422%0.219SC..THydrogen-bonded Turntrans45.853.9-176.4-61.6-5000112.1K432 G458 K459 E460D430-K432 PolarHBondContact O-N 3.49Å; D430-G458 WeakPolarHBondContact OD2-CA 3.38Å; D430-K459 WeakPolarHBondContact OD1-CA 3.22Å; D430-K459 PolarHBondContact OD1-N 2.84Å; D430-K459 PolarHBondContact OD2-N 3.23Å; D430-E460 PolarHBondContact N-O 2.64Å; D430-E460 PolarHBondContact OD1-N 2.58Å
431H86.6Confident91.3Very high106 Ų10649.6 Ų49.649%0.49123%0.229SC..THydrogen-bonded Turntrans61.3-0.6-174.8-48.8-56.2000116.9I429 E462 Y507I429-H431 VanDerWaalsContact C-N 3.31Å; I429-H431 PolarHBondContact O-N 3.36Å; H431-E462 IonicContact CE1-OE2 3.21Å; H431-E462 IonicContact CG-OE2 3.11Å; H431-E462 IonicContact ND1-OE2 3.34Å; H431-E462 PolarHBondContact ND1-OE2 2.7Å; H431-Y507 AromaticContact CE1-CE1 3.95Å
432K87.9Confident91.5Very high157 Ų15750.7 Ų50.768%0.68324%0.236SC*.EExtended strand (participates in β ladder)trans-87.3115.3173.2-175.9-175.7175-172.40110.6L428 I429 D430 V434L428-K432 CarbonylContact C-O 3.53Å; L428-K432 WeakPolarHBondContact CA-O 3.49Å; I429-K432 PolarHBondContact N-O 3.03Å; I429-K432 WeakPolarHBondContact O-CB 3.28Å; I429-K432 PolarHBondContact O-N 3.13Å; D430-K432 PolarHBondContact O-N 3.49Å; K432-V434 PolarHBondContact O-N 3.1Å
433R89.6Confident91.4Very high82 Ų8252.6 Ų52.631%0.30925%0.246SC..EExtended strand (participates in β ladder)trans-58.5120.2174.2-166.5-177.6-72.1-97.82111.5E303 S426 L428 D436 Y466E303-R433 IonicContact OE1-CZ 3.82Å; E303-R433 IonicContact OE1-NH2 3.76Å; E303-R433 PolarHBondContact OE1-NH2 2.9Å; E303-R433 IonicContact OE2-NH2 3.67Å; S426-R433 VanDerWaalsContact CB-NH1 3.29Å; S426-R433 PolarHBondContact OG-NH1 3.43Å; L428-R433 HydrophobicContact CD2-CB 4.33Å; L428-R433 HydrophobicContact CG-CB 4.17Å; R433-D436 WeakPolarHBondContact CD-OD2 3.45Å; R433-D436 IonicContact NH1-OD1 2.58Å; R433-D436 PolarHBondContact NH1-OD1 3.17Å; R433-D436 IonicContact NH1-OD2 2.71Å; R433-Y466 PolarHBondContact NH2-OH 3.39Å
434V91.8Very high91.3Very high59 Ų5957.7 Ų57.736%0.35827%0.27SS..EExtended strand (participates in β ladder)trans-114.7-24.2-178.2-690000113.6L427 I429 K432 F453L427-V434 HydrophobicContact CB-CG2 4.29Å; L427-V434 VanDerWaalsContact O-CG2 3.24Å; L427-V434 WeakPolarHBondContact O-CG2 3.33Å; L427-V434 PolarHBondContact O-N 2.91Å; I429-V434 HydrophobicContact CB-CG1 4.43Å; I429-V434 HydrophobicContact CG1-CG1 4.16Å; I429-V434 HydrophobicContact CG1-CG2 4Å; K432-V434 PolarHBondContact O-N 3.1Å; V434-F453 HydrophobicContact CB-CD1 3.91Å; V434-F453 HydrophobicContact CB-CE1 3.75Å; V434-F453 HydrophobicContact CB-CZ 4.42Å; V434-F453 HydrophobicContact CG2-CD1 3.82Å; V434-F453 HydrophobicContact CG2-CD2 4.45Å; V434-F453 HydrophobicContact CG2-CE1 3.51Å; V434-F453 HydrophobicContact CG2-CE2 4.18Å; V434-F453 HydrophobicContact CG2-CG 4.28Å; V434-F453 HydrophobicContact CG2-CZ 3.69Å
435W94.6Very high91.1Very high41 Ų4161.2 Ų61.216%0.15529%0.289CS..EExtended strand (participates in β ladder)trans-155.6157178.5-179.986.9000112.3C377 C425 S426 L427 S437 T451 F453C377-W435 HydrophobicContact CB-CH2 3.88Å; C377-W435 HydrophobicContact CB-CZ3 3.99Å; C425-W435 HydrophobicContact CB-CZ3 4.28Å; S426-W435 WeakPolarHBondContact CA-O 3.29Å; L427-W435 HydrophobicContact CB-CB 4.33Å; L427-W435 HydrophobicContact CB-CE3 4.39Å; L427-W435 HydrophobicContact CD1-CD2 4.24Å; L427-W435 HydrophobicContact CD1-CE3 3.6Å; L427-W435 HydrophobicContact CD1-CZ3 4.15Å; L427-W435 HydrophobicContact CG-CE3 3.74Å; L427-W435 HydrophobicContact CG-CZ3 4.3Å; L427-W435 PolarHBondContact N-O 3.21Å; L427-W435 PolarHBondContact O-N 2.66Å; W435-S437 VanDerWaalsContact CH2-CB 3.41Å; W435-T451 HydrophobicContact CB-CG2 4.43Å; W435-T451 HydrophobicContact CD2-CG2 4.03Å; W435-T451 HydrophobicContact CG-CG2 3.89Å; W435-F453 HydrophobicContact CB-CE1 3.72Å; W435-F453 HydrophobicContact CB-CZ 3.51Å; W435-F453 HydrophobicContact CG-CZ 4.23Å
436D93.1Very high90.9Very high51 Ų5161.8 Ų61.827%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-141.7140.3176.5-77.4-69.6000110.5R424 C425 S426 R433R424-D436 IonicContact CZ-OD1 2.87Å; R424-D436 VanDerWaalsContact CZ-OD1 3.28Å; R424-D436 IonicContact CZ-OD2 3.69Å; R424-D436 VanDerWaalsContact NE-CG 3.32Å; R424-D436 IonicContact NE-OD1 2.76Å; R424-D436 PolarHBondContact NE-OD1 3.3Å; R424-D436 IonicContact NE-OD2 3.26Å; R424-D436 IonicContact NH2-OD1 2.67Å; R424-D436 PolarHBondContact NH2-OD1 2.85Å; R424-D436 IonicContact NH2-OD2 3.9Å; R424-D436 PolarHBondContact NH2-OD2 3.36Å; C425-D436 WeakPolarHBondContact O-CA 3.41Å; S426-D436 VanDerWaalsContact CB-OD1 3.25Å; S426-D436 WeakPolarHBondContact CB-OD1 3.33Å; S426-D436 PolarHBondContact OG-OD1 3.37Å; R433-D436 WeakPolarHBondContact CD-OD2 3.45Å; R433-D436 IonicContact NH1-OD1 2.58Å; R433-D436 PolarHBondContact NH1-OD1 3.17Å; R433-D436 IonicContact NH1-OD2 2.71Å
437S93.4Very high90.8Very high7 Ų762.4 Ų62.45%0.04930%0.295CS..PPolyproline II helixtrans-7916117283.60000111.4R424 C425 W435 W447R424-S437 VanDerWaalsContact CA-OG 3.32Å; R424-S437 WeakPolarHBondContact CA-OG 3.18Å; C425-S437 PolarHBondContact N-OG 3.01Å; C425-S437 PolarHBondContact O-N 3.21Å; W435-S437 VanDerWaalsContact CH2-CB 3.41Å; S437-W447 PolarHBondContact OG-NE1 3Å
438P92Very high90.6Very high50 Ų5065.8 Ų65.833%0.32531%0.313SS..PPolyproline II helixtrans-61.8154.3160.328.8-35.6000111R440 W447P438-R440 HydrophobicContact CG-CG 4.2Å; P438-W447 VanDerWaalsContact O-CD1 3.24Å; P438-W447 PolarHBondContact O-NE1 3.46Å
439W91.2Very high90.3Very high66 Ų6667.1 Ų67.125%0.2532%0.323CS..PPolyproline II helixtrans-65.6128.5166.1-67.8110.5000110.2D422 V423 R424 K468 W500D422-W439 HydrophobicContact CB-CB 3.91Å; D422-W439 HydrophobicContact CB-CE3 4.27Å; V423-W439 WeakPolarHBondContact O-CA 3.32Å; R424-W439 HydrophobicContact CB-CD2 3.81Å; R424-W439 HydrophobicContact CB-CE3 3.49Å; R424-W439 VanDerWaalsContact CB-CE3 3.49Å; R424-W439 HydrophobicContact CB-CH2 3.98Å; R424-W439 HydrophobicContact CB-CZ2 4.26Å; R424-W439 HydrophobicContact CB-CZ3 3.57Å; W439-K468 HydrophobicContact CD2-CB 4.21Å; W439-K468 HydrophobicContact CD2-CD 4.18Å; W439-K468 HydrophobicContact CD2-CG 4.45Å; W439-K468 HydrophobicContact CE3-CB 3.74Å; W439-K468 HydrophobicContact CE3-CD 4.47Å; W439-K468 HydrophobicContact CE3-CG 4.45Å; W439-K468 HydrophobicContact CG-CD 4.27Å; W439-K468 HydrophobicContact CH2-CB 4.1Å; W439-K468 HydrophobicContact CZ3-CB 3.69Å; W439-W500 HydrophobicContact CH2-CB 3.89Å; W439-W500 HydrophobicContact CZ2-CB 4.26Å
440R91.8Very high90.3Very high126 Ų12672 Ų7248%0.47534%0.343SS..BIsolated β-bridgetrans-149.7149.1-174.3-70.9-74.7-176.4-93.77.6111.4D422 V423 P438 C446D422-R440 CarbonylContact C-O 3.56Å; D422-R440 WeakPolarHBondContact CA-O 3.43Å; V423-R440 VanDerWaalsContact CG2-O 3.22Å; V423-R440 WeakPolarHBondContact CG2-O 3.17Å; V423-R440 PolarHBondContact N-O 3.44Å; V423-R440 PolarHBondContact O-N 3Å; P438-R440 HydrophobicContact CG-CG 4.2Å; R440-C446 HydrophobicContact CB-CB 4.13Å; R440-C446 WeakPolarHBondContact CB-O 3.44Å; R440-C446 WeakPolarHBondContact CD-O 3.44Å; R440-C446 WeakPolarHBondContact CG-O 3.39Å
441Q88.2Confident90.5Very high83 Ų8369.9 Ų69.939%0.38833%0.333SS..  trans-61.6132.8170.7-74.5-68.3-60.400111.3W420 D422 N443 C446W420-Q441 PolarHBondContact O-NE2 3.48Å; W420-Q441 PolarHBondContact O-OE1 3.15Å; W420-Q441 VanDerWaalsContact O-OE1 3.05Å; D422-Q441 PolarHBondContact OD1-NE2 2.98Å; Q441-N443 PolarHBondContact O-N 3.19Å; Q441-N443 PolarHBondContact O-ND2 3.36Å; Q441-C446 WeakPolarHBondContact O-CB 3.47Å
442P88.6Confident90.7Very high34 Ų3468.2 Ų68.222%0.22133%0.33CS..  trans-65.1124.3-173.624.6-32.8000112.4W420 V423W420-P442 HydrophobicContact CB-CG 3.53Å; W420-P442 HydrophobicContact CD2-CG 3.77Å; W420-P442 HydrophobicContact CE3-CG 3.96Å; W420-P442 HydrophobicContact CG-CG 3.59Å; V423-P442 HydrophobicContact CG1-CB 4.3Å; V423-P442 HydrophobicContact CG1-CG 4.44Å; V423-P442 HydrophobicContact CG2-CB 3.72Å; V423-P442 HydrophobicContact CG2-CG 4.39Å
443N87.5Confident90.6Very high83 Ų8361.7 Ų61.744%0.44430%0.302SS..SBendtrans-160.2172.3167.470.875.2000109.8G379 C380 Q441 Q445 C446G379-N443 CarbonylContact C-O 3.55Å; G379-N443 WeakPolarHBondContact CA-O 3.21Å; C380-N443 PolarHBondContact N-O 3.24Å; C380-N443 CarbonylContact O-C 3.45Å; C380-N443 VanDerWaalsContact O-O 3.12Å; Q441-N443 PolarHBondContact O-N 3.19Å; Q441-N443 PolarHBondContact O-ND2 3.36Å; N443-Q445 PolarHBondContact O-N 3.04Å; N443-Q445 VanDerWaalsContact OD1-C 3.3Å; N443-Q445 PolarHBondContact OD1-N 2.73Å; N443-C446 WeakPolarHBondContact ND2-CB 3.35Å; N443-C446 PolarHBondContact O-N 2.84Å; N443-C446 PolarHBondContact O-SG 3.36Å; N443-C446 PolarHBondContact OD1-N 3.37Å; N443-C446 VanDerWaalsContact OD1-N 3.08Å
444Q88.8Confident90.5Very high109 Ų10964.7 Ų64.751%0.50932%0.324SS..THydrogen-bonded Turntrans-59.2-20.4-174.2-62.7-178.2-800114.9G379 F532G379-Q444 WeakPolarHBondContact CA-O 3.36Å; G379-Q444 PolarHBondContact N-O 3.03Å; Q444-F532 HydrophobicContact CB-CD2 4.3Å; Q444-F532 HydrophobicContact CB-CE2 4.08Å; Q444-F532 HydrophobicContact CG-CE2 3.81Å; Q444-F532 HydrophobicContact CG-CZ 4.12Å
445Q90.3Very high90.1Very high137 Ų13762.3 Ų62.364%0.6431%0.309SS*.THydrogen-bonded Turntrans-131.127.5179.9-64.7-177.5-18.900112.3L378 N443 W447L378-Q445 CarbonylContact O-C 3.53Å; L378-Q445 VanDerWaalsContact O-CA 3.23Å; L378-Q445 WeakPolarHBondContact O-CA 3.38Å; N443-Q445 PolarHBondContact O-N 3.04Å; N443-Q445 VanDerWaalsContact OD1-C 3.3Å; N443-Q445 PolarHBondContact OD1-N 2.73Å; Q445-W447 VanDerWaalsContact C-N 3.27Å; Q445-W447 PolarHBondContact O-N 2.86Å; Q445-W447 VanDerWaalsContact O-N 3.17Å
446C90.1Very high89.4Confident11 Ų1165.6 Ų65.67%0.07433%0.33CS..SBendtrans-64.1-23.9-16960.10000115.8L378 G379 R440 Q441 N443L378-C446 PolarHBondContact O-N 3.42Å; L378-C446 VanDerWaalsContact O-N 3.14Å; G379-C446 VanDerWaalsContact CA-SG 3.59Å; R440-C446 HydrophobicContact CB-CB 4.13Å; R440-C446 WeakPolarHBondContact CB-O 3.44Å; R440-C446 WeakPolarHBondContact CD-O 3.44Å; R440-C446 WeakPolarHBondContact CG-O 3.39Å; Q441-C446 WeakPolarHBondContact O-CB 3.47Å; N443-C446 WeakPolarHBondContact ND2-CB 3.35Å; N443-C446 PolarHBondContact O-N 2.84Å; N443-C446 PolarHBondContact O-SG 3.36Å; N443-C446 PolarHBondContact OD1-N 3.37Å; N443-C446 VanDerWaalsContact OD1-N 3.08Å
447W92.3Very high88.6Confident13 Ų1366.7 Ų66.75%0.04933%0.33CS..SBendtrans-110.1-33.4-177.7-56.5-57.7000113.7C377 L378 G379 C380 V423 C425 S437 P438 Q445 S449 V465 V531C377-W447 VanDerWaalsContact SG-CE3 3.51Å; L378-W447 PolarHBondContact O-N 3.06Å; G379-W447 VanDerWaalsContact C-CZ3 3.5Å; G379-W447 VanDerWaalsContact CA-CE3 3.48Å; C380-W447 HydrophobicContact CB-CH2 3.74Å; C380-W447 HydrophobicContact CB-CZ3 3.89Å; C380-W447 VanDerWaalsContact SG-CH2 3.52Å; V423-W447 HydrophobicContact CB-CZ2 4.03Å; V423-W447 HydrophobicContact CG2-CH2 4.38Å; V423-W447 HydrophobicContact CG2-CZ2 3.59Å; V423-W447 PolarHBondContact O-NE1 3.23Å; V423-W447 VanDerWaalsContact O-NE1 3.07Å; C425-W447 HydrophobicContact CB-CD2 4.07Å; C425-W447 HydrophobicContact CB-CE3 3.79Å; C425-W447 HydrophobicContact CB-CH2 3.66Å; C425-W447 HydrophobicContact CB-CZ2 3.91Å; C425-W447 HydrophobicContact CB-CZ3 3.6Å; S437-W447 PolarHBondContact OG-NE1 3Å; P438-W447 VanDerWaalsContact O-CD1 3.24Å; P438-W447 PolarHBondContact O-NE1 3.46Å; Q445-W447 VanDerWaalsContact C-N 3.27Å; Q445-W447 PolarHBondContact O-N 2.86Å; Q445-W447 VanDerWaalsContact O-N 3.17Å; W447-S449 PolarHBondContact O-N 2.89Å; W447-S449 PolarHBondContact O-OG 2.94Å; W447-V465 HydrophobicContact CH2-CG1 4.2Å; W447-V465 HydrophobicContact CH2-CG2 4.12Å; W447-V531 HydrophobicContact CZ3-CG1 4.48Å
448D90.7Very high88.1Confident71 Ų7166.4 Ų66.438%0.3833%0.328SS..  trans22.557.4-171.4-163.317.2000115.8R376 C377 L378R376-D448 IonicContact CZ-OD1 3.28Å; R376-D448 IonicContact CZ-OD2 2.84Å; R376-D448 IonicContact NE-OD1 3.76Å; R376-D448 PolarHBondContact NE-OD1 3.01Å; R376-D448 IonicContact NH2-OD1 3.98Å; R376-D448 PolarHBondContact NH2-OD1 3.18Å; R376-D448 IonicContact NH2-OD2 2.82Å; R376-D448 PolarHBondContact NH2-OD2 3.47Å; C377-D448 WeakPolarHBondContact O-CA 3.33Å; C377-D448 PolarHBondContact O-N 3.43Å; L378-D448 VanDerWaalsContact CD2-OD1 3.3Å; L378-D448 WeakPolarHBondContact CD2-OD1 3.21Å; L378-D448 PolarHBondContact O-N 3.07Å
449S89.8Confident87.9Confident31 Ų3168.3 Ų68.322%0.21733%0.332CS..EExtended strand (participates in β ladder)trans-117.3125.1-171.3-68.70000111.2R376 C377 W447R376-S449 CarbonylContact C-O 2.97Å; R376-S449 WeakPolarHBondContact CA-O 3.27Å; C377-S449 PolarHBondContact N-O 3.2Å; C377-S449 PolarHBondContact O-N 3.4Å; W447-S449 PolarHBondContact O-N 2.89Å; W447-S449 PolarHBondContact O-OG 2.94Å
450K91.1Very high87.8Confident125 Ų12566.4 Ų66.454%0.54333%0.325SS..EExtended strand (participates in β ladder)trans-94.8138.5173.4173.4171164.8158.80111.1E374 V375 R376E374-K450 HydrophobicContact CG-CD 4.36Å; E374-K450 HydrophobicContact CG-CG 4.43Å; E374-K450 VanDerWaalsContact OE1-CE 3.23Å; E374-K450 WeakPolarHBondContact OE1-CE 3.29Å; E374-K450 IonicContact OE1-NZ 2.75Å; E374-K450 PolarHBondContact OE1-NZ 3.26Å; E374-K450 WeakPolarHBondContact OE2-CE 3.48Å; E374-K450 IonicContact OE2-NZ 3.51Å; E374-K450 PolarHBondContact OE2-NZ 3.44Å; V375-K450 WeakPolarHBondContact O-CA 3.45Å; R376-K450 HydrophobicContact CB-CB 4.42Å; R376-K450 HydrophobicContact CG-CB 4.38Å
451T91.1Very high87.8Confident26 Ų2660.4 Ų60.416%0.1630%0.303CS..EExtended strand (participates in β ladder)trans-146160175.3-174.70000109.4V375 L427 W435 F453V375-T451 HydrophobicContact CB-CG2 4.2Å; V375-T451 PolarHBondContact N-O 3.02Å; V375-T451 PolarHBondContact O-N 3.21Å; V375-T451 VanDerWaalsContact O-O 3.09Å; L427-T451 HydrophobicContact CD1-CG2 4.24Å; W435-T451 HydrophobicContact CB-CG2 4.43Å; W435-T451 HydrophobicContact CD2-CG2 4.03Å; W435-T451 HydrophobicContact CG-CG2 3.89Å; T451-F453 HydrophobicContact CG2-CE1 4.22Å; T451-F453 HydrophobicContact CG2-CE2 3.79Å; T451-F453 HydrophobicContact CG2-CZ 3.42Å; T451-F453 VanDerWaalsContact CG2-CZ 3.42Å
452T90.2Very high88.1Confident70 Ų7056.6 Ų56.643%0.42929%0.285SS..EExtended strand (participates in β ladder)trans-138.5134.6180-58.90000109.9S372 L373 E374S372-T452 WeakPolarHBondContact OG-CG2 3.36Å; L373-T452 CarbonylContact O-C 3.46Å; L373-T452 WeakPolarHBondContact O-CA 3.23Å; E374-T452 HydrophobicContact CB-CG2 4.48Å
453F87.2Confident88.4Confident21 Ų2155 Ų559%0.09227%0.274CS..EExtended strand (participates in β ladder)trans-117126-179.2-49.4-66000110.4S372 L373 V375 L427 V434 W435 T451 I455S372-F453 CarbonylContact C-O 3.59Å; S372-F453 WeakPolarHBondContact CA-O 3.47Å; L373-F453 PolarHBondContact N-O 3.08Å; L373-F453 PolarHBondContact O-N 3.26Å; V375-F453 HydrophobicContact CB-CE2 4.26Å; V375-F453 HydrophobicContact CG2-CD2 4.1Å; V375-F453 HydrophobicContact CG2-CE2 3.79Å; L427-F453 HydrophobicContact CB-CZ 4.37Å; L427-F453 HydrophobicContact CD1-CE2 3.97Å; L427-F453 HydrophobicContact CD1-CZ 4.03Å; V434-F453 HydrophobicContact CB-CD1 3.91Å; V434-F453 HydrophobicContact CB-CE1 3.75Å; V434-F453 HydrophobicContact CB-CZ 4.42Å; V434-F453 HydrophobicContact CG2-CD1 3.82Å; V434-F453 HydrophobicContact CG2-CD2 4.45Å; V434-F453 HydrophobicContact CG2-CE1 3.51Å; V434-F453 HydrophobicContact CG2-CE2 4.18Å; V434-F453 HydrophobicContact CG2-CG 4.28Å; V434-F453 HydrophobicContact CG2-CZ 3.69Å; W435-F453 HydrophobicContact CB-CE1 3.72Å; W435-F453 HydrophobicContact CB-CZ 3.51Å; W435-F453 HydrophobicContact CG-CZ 4.23Å; T451-F453 HydrophobicContact CG2-CE1 4.22Å; T451-F453 HydrophobicContact CG2-CE2 3.79Å; T451-F453 HydrophobicContact CG2-CZ 3.42Å; T451-F453 VanDerWaalsContact CG2-CZ 3.42Å; F453-I455 HydrophobicContact CB-CG1 4.14Å; F453-I455 PolarHBondContact O-N 2.8Å
454N86.2Confident88.8Confident144 Ų14451 Ų5177%0.7725%0.253SS*.EExtended strand (participates in β ladder)trans-79.2108.1162.1-67.6-17.2000107.4S372S372-N454 PolarHBondContact OG-OD1 2.94Å
455I83.2Confident89.1Confident10 Ų1045.8 Ų45.85%0.05123%0.229CC..EExtended strand (participates in β ladder)trans-93.4127.6179.9-60.8-175.1000107.3I369 T370 G371 L373 I429 F453 L510 F537I369-I455 WeakPolarHBondContact O-CG2 3.46Å; T370-I455 CarbonylContact C-O 3.48Å; T370-I455 VanDerWaalsContact CA-O 3.24Å; T370-I455 WeakPolarHBondContact CA-O 3.38Å; T370-I455 WeakPolarHBondContact CG2-O 3.38Å; G371-I455 PolarHBondContact N-O 2.71Å; G371-I455 PolarHBondContact O-N 2.97Å; L373-I455 HydrophobicContact CB-CD1 3.58Å; L373-I455 HydrophobicContact CB-CG1 4.23Å; L373-I455 HydrophobicContact CD2-CD1 3.76Å; L373-I455 HydrophobicContact CG-CD1 4.32Å; I429-I455 HydrophobicContact CD1-CD1 3.79Å; I429-I455 HydrophobicContact CG1-CD1 4.33Å; I429-I455 HydrophobicContact CG2-CG2 4.43Å; F453-I455 HydrophobicContact CB-CG1 4.14Å; F453-I455 PolarHBondContact O-N 2.8Å; I455-L510 HydrophobicContact CD1-CD1 3.74Å; I455-L510 HydrophobicContact CD1-CD2 4.18Å; I455-L510 HydrophobicContact CG2-CD1 4.1Å; I455-F537 HydrophobicContact CD1-CE2 4.1Å
456D80.8Confident89.2Confident110 Ų11039.5 Ų39.559%0.58820%0.199SC*.EExtended strand (participates in β ladder)trans-113120.5163.1-176.441.8000109.3T370 G458T370-D456 HydrophobicContact CG2-CB 4.41Å; T370-D456 WeakPolarHBondContact CG2-OD1 3.44Å; T370-D456 PolarHBondContact OG1-OD1 3.36Å; D456-G458 PolarHBondContact O-N 3.01Å
457R76.9Confident89.1Confident73 Ų7339.7 Ų39.728%0.27520%0.198SC..EExtended strand (participates in β ladder)trans5420.3176.7-61.6150.6167.9-89.79.2115.6A368 I369 T370 R546 C547A368-R457 HydrophobicContact CB-CB 4.2Å; A368-R457 VanDerWaalsContact CB-O 3.31Å; A368-R457 WeakPolarHBondContact CB-O 3.33Å; I369-R457 CarbonylContact O-C 3.35Å; I369-R457 WeakPolarHBondContact O-CA 3.31Å; I369-R457 PolarHBondContact O-N 2.75Å; I369-R457 VanDerWaalsContact O-N 3.08Å; T370-R457 PolarHBondContact OG1-N 3.43Å; R457-R546 PolarHBondContact NH1-O 3.42Å; R457-C547 PolarHBondContact NH2-O 2.75Å
458G83.1Confident88.7Confident1 Ų142.7 Ų42.71%0.0121%0.212CC..EExtended strand (participates in β ladder)trans-64.8151.1175.700000111.2I369 D430 D456I369-G458 PolarHBondContact N-O 2.82Å; I369-G458 PolarHBondContact O-N 3.18Å; I369-G458 VanDerWaalsContact O-N 3.11Å; D430-G458 WeakPolarHBondContact OD2-CA 3.38Å; D456-G458 PolarHBondContact O-N 3.01Å
459K86.2Confident87.7Confident91 Ų9142.3 Ų42.340%0.39621%0.205SC..  trans-113.7-44.8-178.8-56177.4-174.1176.60112.6P366 A368 D430 L510P366-K459 HydrophobicContact CB-CB 4.18Å; P366-K459 HydrophobicContact CG-CB 3.95Å; P366-K459 HydrophobicContact CG-CD 4.44Å; A368-K459 HydrophobicContact CB-CG 4.25Å; D430-K459 WeakPolarHBondContact OD1-CA 3.22Å; D430-K459 PolarHBondContact OD1-N 2.84Å; D430-K459 PolarHBondContact OD2-N 3.23Å; K459-L510 PolarHBondContact O-N 3.15Å
460E89.9Confident86.1Confident26 Ų2645.9 Ų45.912%0.12122%0.219CC..EExtended strand (participates in β ladder)trans-132.5139.7-177.4-59.9-162.4137.300112.6R264 P366 I429 D430 V508 R509R264-E460 IonicContact CZ-OE1 2.75Å; R264-E460 IonicContact CZ-OE2 3.51Å; R264-E460 IonicContact NH2-OE1 3.48Å; R264-E460 PolarHBondContact NH2-OE1 3.13Å; R264-E460 IonicContact NH2-OE2 3.42Å; R264-E460 PolarHBondContact NH2-OE2 3.07Å; P366-E460 HydrophobicContact CB-CG 4.4Å; P366-E460 HydrophobicContact CG-CG 3.91Å; I429-E460 WeakPolarHBondContact CA-O 3.37Å; D430-E460 PolarHBondContact N-O 2.64Å; D430-E460 PolarHBondContact OD1-N 2.58Å; E460-V508 WeakPolarHBondContact CA-O 3.39Å; E460-R509 HydrophobicContact CG-CG 4.27Å; E460-R509 WeakPolarHBondContact OE1-CG 3.28Å; E460-R509 IonicContact OE1-NE 2.69Å
461L92Very high84.2Confident0 Ų048.4 Ų48.40%023%0.231CC..EExtended strand (participates in β ladder)trans-89.7112.2162172.971.7000108.3L373 L427 L428 I429 V463 Y507 V508 L510 L535L373-L461 HydrophobicContact CD2-CD2 4.33Å; L427-L461 HydrophobicContact CB-CD1 4.25Å; L427-L461 HydrophobicContact CD2-CD1 4.28Å; L428-L461 WeakPolarHBondContact O-CA 3.46Å; I429-L461 HydrophobicContact CD1-CB 4.19Å; I429-L461 HydrophobicContact CD1-CD1 3.65Å; L461-V463 HydrophobicContact CD2-CG2 4.14Å; L461-V463 HydrophobicContact CG-CG2 4.01Å; L461-Y507 CarbonylContact O-C 3.59Å; L461-Y507 WeakPolarHBondContact O-CA 3.49Å; L461-V508 HydrophobicContact CB-CB 4.39Å; L461-V508 PolarHBondContact N-O 3.36Å; L461-V508 PolarHBondContact O-N 2.96Å; L461-L510 HydrophobicContact CB-CD2 3.98Å; L461-L535 HydrophobicContact CD2-CD1 4.4Å; L461-L535 HydrophobicContact CD2-CD2 4.02Å
462E94.2Very high82Confident2 Ų251.5 Ų51.51%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-91.7129169.6173.6-179.5-179.500109.5R307 L428 H431 Q464 V505 Y507R307-E462 IonicContact CZ-OE1 3.57Å; R307-E462 IonicContact NE-OE1 2.83Å; R307-E462 PolarHBondContact NE-OE1 3.19Å; R307-E462 IonicContact NH2-OE1 2.75Å; L428-E462 HydrophobicContact CB-CB 4.14Å; L428-E462 HydrophobicContact CD1-CG 4.24Å; L428-E462 PolarHBondContact N-O 3.21Å; L428-E462 PolarHBondContact O-N 3.35Å; H431-E462 IonicContact CE1-OE2 3.21Å; H431-E462 IonicContact CG-OE2 3.11Å; H431-E462 IonicContact ND1-OE2 3.34Å; H431-E462 PolarHBondContact ND1-OE2 2.7Å; E462-Q464 VanDerWaalsContact CD-NE2 3.33Å; E462-Q464 HydrophobicContact CG-CG 4.21Å; E462-Q464 PolarHBondContact OE1-NE2 2.82Å; E462-V505 HydrophobicContact CG-CG2 4.01Å; E462-Y507 HydrophobicContact CB-CD1 3.71Å; E462-Y507 HydrophobicContact CB-CE1 3.59Å; E462-Y507 VanDerWaalsContact CD-OH 3.26Å; E462-Y507 HydrophobicContact CG-CD1 3.96Å; E462-Y507 HydrophobicContact CG-CE1 3.42Å; E462-Y507 VanDerWaalsContact CG-CE1 3.42Å; E462-Y507 PolarHBondContact OE1-OH 2.64Å; E462-Y507 WeakPolarHBondContact OE2-CE1 3.45Å
463V95.2Very high79.6Confident0 Ų052.8 Ų52.80%026%0.255CS..EExtended strand (participates in β ladder)trans-115.6122-178.4-175.60000107.8L427 L461 V505 N506 L523 M525 V531 L533L427-V463 HydrophobicContact CD2-CB 4.35Å; L427-V463 HydrophobicContact CD2-CG1 4.07Å; L427-V463 HydrophobicContact CD2-CG2 3.88Å; L461-V463 HydrophobicContact CD2-CG2 4.14Å; L461-V463 HydrophobicContact CG-CG2 4.01Å; V463-V505 CarbonylContact O-C 3.59Å; V463-V505 VanDerWaalsContact O-CA 3.3Å; V463-V505 WeakPolarHBondContact O-CA 3.37Å; V463-N506 PolarHBondContact N-O 3.2Å; V463-N506 PolarHBondContact O-N 3.12Å; V463-L523 HydrophobicContact CB-CD2 3.85Å; V463-L523 HydrophobicContact CG1-CD2 4.21Å; V463-L523 HydrophobicContact CG2-CD2 3.69Å; V463-M525 HydrophobicContact CG1-CE 4.28Å; V463-M525 WeakPolarHBondContact O-CE 3.37Å; V463-V531 HydrophobicContact CG1-CG1 4.32Å; V463-L533 HydrophobicContact CG2-CD1 4.05Å
464Q95.7Very high77Confident0 Ų057.8 Ų57.80%029%0.293CS..EExtended strand (participates in β ladder)trans-121.7141.3-178-73.5167.89.700110.1C425 S426 L428 E462 Y466 L502 A504 V505C425-Q464 CarbonylContact C-O 3.52Å; C425-Q464 WeakPolarHBondContact CA-O 3.42Å; S426-Q464 PolarHBondContact N-O 3.1Å; S426-Q464 PolarHBondContact O-N 3.22Å; L428-Q464 HydrophobicContact CD1-CB 4.25Å; L428-Q464 HydrophobicContact CD1-CG 3.83Å; L428-Q464 VanDerWaalsContact CD2-NE2 3.3Å; E462-Q464 VanDerWaalsContact CD-NE2 3.33Å; E462-Q464 HydrophobicContact CG-CG 4.21Å; E462-Q464 PolarHBondContact OE1-NE2 2.82Å; Q464-Y466 HydrophobicContact CB-CD2 4.37Å; Q464-Y466 HydrophobicContact CB-CE2 3.7Å; Q464-Y466 VanDerWaalsContact OE1-CE2 3.28Å; Q464-Y466 PolarHBondContact OE1-OH 3.04Å; Q464-L502 HydrophobicContact CB-CD1 3.59Å; Q464-L502 HydrophobicContact CG-CD1 3.77Å; Q464-L502 HydrophobicContact CG-CD2 4.47Å; Q464-A504 CarbonylContact C-O 3.52Å; Q464-A504 WeakPolarHBondContact CA-O 3.38Å; Q464-V505 HydrophobicContact CG-CG2 3.94Å
465V94.6Very high74.7Confident0 Ų056.5 Ų56.50%030%0.295CS..EExtended strand (participates in β ladder)trans-119.3123170.6179.70000109.4I383 V423 R424 W447 A503 A504 M525 V531I383-V465 HydrophobicContact CD1-CG2 4.48Å; I383-V465 HydrophobicContact CG1-CG1 4.44Å; V423-V465 HydrophobicContact CB-CG1 4.24Å; V423-V465 HydrophobicContact CG1-CG1 4.47Å; R424-V465 WeakPolarHBondContact O-CA 3.25Å; W447-V465 HydrophobicContact CH2-CG1 4.2Å; W447-V465 HydrophobicContact CH2-CG2 4.12Å; V465-A503 WeakPolarHBondContact O-CA 3.47Å; V465-A503 PolarHBondContact O-N 3.01Å; V465-A504 HydrophobicContact CB-CB 4.16Å; V465-A504 PolarHBondContact N-O 2.91Å; V465-A504 PolarHBondContact O-N 3.39Å; V465-A504 VanDerWaalsContact O-N 3.1Å; V465-M525 HydrophobicContact CG2-CE 4.28Å; V465-V531 HydrophobicContact CG2-CG2 3.43Å; V465-V531 VanDerWaalsContact CG2-CG2 3.43Å
466Y92.6Very high72.2Confident5 Ų561.2 Ų61.22%0.0233%0.329CS..EExtended strand (participates in β ladder)trans-103147176.2-67.6-95.3000110.2E303 V423 R424 S426 R433 Q464 W500 V501 L502E303-Y466 PolarHBondContact OE1-OH 3.11Å; V423-Y466 CarbonylContact C-O 3.52Å; V423-Y466 WeakPolarHBondContact CA-O 3.39Å; V423-Y466 WeakPolarHBondContact CB-O 3.41Å; R424-Y466 PolarHBondContact N-O 2.84Å; R424-Y466 PolarHBondContact O-N 3.15Å; S426-Y466 WeakPolarHBondContact OG-CD2 3.36Å; S426-Y466 WeakPolarHBondContact OG-CE2 3.4Å; R433-Y466 PolarHBondContact NH2-OH 3.39Å; Q464-Y466 HydrophobicContact CB-CD2 4.37Å; Q464-Y466 HydrophobicContact CB-CE2 3.7Å; Q464-Y466 VanDerWaalsContact OE1-CE2 3.28Å; Q464-Y466 PolarHBondContact OE1-OH 3.04Å; Y466-W500 HydrophobicContact CD1-CB 4.44Å; Y466-W500 HydrophobicContact CD1-CD2 4.05Å; Y466-W500 AromaticContact CD1-CE3 3.54Å; Y466-W500 HydrophobicContact CD1-CE3 3.54Å; Y466-W500 HydrophobicContact CD1-CG 4.43Å; Y466-W500 HydrophobicContact CD1-CZ3 4.21Å; Y466-W500 HydrophobicContact CE1-CD2 4.21Å; Y466-W500 AromaticContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CH2 4.48Å; Y466-W500 AromaticContact CE1-CZ3 3.69Å; Y466-W500 HydrophobicContact CE1-CZ3 3.69Å; Y466-V501 WeakPolarHBondContact CA-O 3.42Å; Y466-V501 WeakPolarHBondContact CD1-O 3.44Å; Y466-L502 HydrophobicContact CD1-CB 4.15Å; Y466-L502 HydrophobicContact CD1-CD1 4.44Å; Y466-L502 HydrophobicContact CD2-CD1 4.3Å; Y466-L502 HydrophobicContact CE1-CB 3.74Å; Y466-L502 HydrophobicContact CE1-CD1 4.07Å; Y466-L502 HydrophobicContact CE1-CG 4.46Å; Y466-L502 HydrophobicContact CE2-CD1 3.89Å
467W89Confident69.9Low14 Ų1462.9 Ų62.95%0.05334%0.344CS..EExtended strand (participates in β ladder)trans-111.1143.5168.159.5-1000110.4D385 F387 S413 V421 V423 W500 V501 A503D385-W467 WeakPolarHBondContact O-CZ3 3.38Å; F387-W467 HydrophobicContact CB-CZ2 4.18Å; F387-W467 AromaticContact CD2-CE2 3.95Å; F387-W467 AromaticContact CD2-CH2 3.65Å; F387-W467 HydrophobicContact CD2-CH2 3.65Å; F387-W467 AromaticContact CD2-CZ2 3.27Å; F387-W467 HydrophobicContact CD2-CZ2 3.27Å; F387-W467 HydrophobicContact CD2-CZ3 4.49Å; F387-W467 HydrophobicContact CE2-CH2 4.37Å; F387-W467 AromaticContact CE2-CZ2 3.91Å; F387-W467 HydrophobicContact CE2-CZ2 3.91Å; F387-W467 HydrophobicContact CG-CZ2 4.02Å; S413-W467 VanDerWaalsContact CB-CZ3 3.5Å; S413-W467 VanDerWaalsContact OG-CZ3 3.31Å; S413-W467 WeakPolarHBondContact OG-CZ3 3.48Å; V421-W467 HydrophobicContact CG2-CB 3.98Å; V423-W467 HydrophobicContact CG1-CB 4.28Å; W467-W500 WeakPolarHBondContact O-CA 3.31Å; W467-V501 HydrophobicContact CZ2-CG1 4.49Å; W467-V501 PolarHBondContact N-O 3.05Å; W467-V501 PolarHBondContact O-N 2.98Å; W467-A503 HydrophobicContact CB-CB 4.39Å; W467-A503 HydrophobicContact CD2-CB 4.05Å; W467-A503 HydrophobicContact CG-CB 3.9Å
468K83.6Confident67.7Low77 Ų7765 Ų6534%0.33537%0.369SS..EExtended strand (participates in β ladder)trans-89.5125.9-175.4-170.3179175.2-171.40110.8V421 D422 W439 M470V421-K468 WeakPolarHBondContact CB-O 3.5Å; V421-K468 VanDerWaalsContact CG1-O 3.28Å; V421-K468 WeakPolarHBondContact CG1-O 3.26Å; V421-K468 WeakPolarHBondContact CG2-O 3.31Å; D422-K468 HydrophobicContact CB-CB 4.25Å; D422-K468 HydrophobicContact CB-CD 4.27Å; D422-K468 VanDerWaalsContact O-CB 3.32Å; D422-K468 WeakPolarHBondContact O-CB 3.46Å; D422-K468 PolarHBondContact O-N 3.06Å; W439-K468 HydrophobicContact CD2-CB 4.21Å; W439-K468 HydrophobicContact CD2-CD 4.18Å; W439-K468 HydrophobicContact CD2-CG 4.45Å; W439-K468 HydrophobicContact CE3-CB 3.74Å; W439-K468 HydrophobicContact CE3-CD 4.47Å; W439-K468 HydrophobicContact CE3-CG 4.45Å; W439-K468 HydrophobicContact CG-CD 4.27Å; W439-K468 HydrophobicContact CH2-CB 4.1Å; W439-K468 HydrophobicContact CZ3-CB 3.69Å; K468-M470 PolarHBondContact O-N 3.05Å
469R68.6Low65.3Low63 Ų6369.9 Ų69.924%0.23841%0.41CS..  trans-76.9123.1-175.2-175.8-178.7-179.7137.41.8112N393 M411 L498 E499N393-R469 VanDerWaalsContact OD1-CZ 3.23Å; N393-R469 PolarHBondContact OD1-NH1 2.85Å; N393-R469 PolarHBondContact OD1-NH2 2.73Å; M411-R469 HydrophobicContact CE-CG 3.7Å; M411-R469 HydrophobicContact SD-CG 4.41Å; R469-L498 WeakPolarHBondContact CB-O 3.41Å; R469-L498 WeakPolarHBondContact CD-O 3.38Å; R469-E499 WeakPolarHBondContact CB-O 3.35Å; R469-E499 PolarHBondContact N-O 3.49Å
470M56.5Low62.8Low105 Ų10571.6 Ų71.652%0.51743%0.433SS..  trans-138112163.7-69-153.8-57.400111.9V421 K468V421-M470 HydrophobicContact CG1-CB 4.48Å; K468-M470 PolarHBondContact O-N 3.05Å
471F50.7Low60Low178 Ų17874.2 Ų74.278%0.78147%0.467SS*.  trans55.5161161.6-59.4-75.1000120.5
472L45.4Very low57.1Low92 Ų9280 Ų8048%0.48251%0.508SS..  trans-87143.8175.2-84.863.8000109.7P408 S474P408-L472 HydrophobicContact CG-CD2 4.14Å; P408-L472 HydrophobicContact CG-CG 4.25Å; L472-S474 PolarHBondContact O-N 2.84Å
473P40.9Very low54.2Low96 Ų9685.9 Ų85.962%0.62355%0.549SS*.  trans-66.7117.4170.6-18.832000111.6S475P473-S475 PolarHBondContact O-N 2.8Å
474S32.5Very low51.1Low127 Ų12790.5 Ų90.589%0.88859%0.587SS**  trans-80.692174.656.10000110.9L472L472-S474 PolarHBondContact O-N 2.84Å
475S37.5Very low47.9Very low116 Ų11699.2 Ų99.281%0.81163%0.633SS**  trans-87.8135.617148.80000111.1P473P473-S475 PolarHBondContact O-N 2.8Å
476S30.4Very low44.7Very low109 Ų109103.9 Ų103.976%0.76267%0.665SS**  trans-83139-169.7470000113.6
477T32.4Very low41.7Very low146 Ų146113.1 Ų113.190%0.89671%0.706SS**  -168.7158129.212.50000112.4
478S30.4Very low38.8Very low116 Ų116118.4 Ų118.481%0.81175%0.745SS**  trans-80.7139.8-170.8510000115.5
479A33.8Very low36Very low104 Ų104118.4 Ų118.486%0.8677%0.766SS**  trans-165148.5135.400000112.5
480S32.3Very low34.1Very low128 Ų128123.9 Ų123.990%0.89580%0.799SS**  trans-69.9144.2176.150.30000114.3
481G31.3Very low32.8Very low81 Ų81124.4 Ų124.484%0.83581%0.813SS**  trans-174.981.7172.900000114.8
482S31.6Very low31.5Very low121 Ų121125 Ų12585%0.84682%0.819SS**  trans-72.4131.4-176.1530000115.2
483S33Very low30.6Very low126 Ų126127.5 Ų127.588%0.88183%0.833SS**  -167.2159.2126.4540000110.2
484A29.7Very low29.9Very low97 Ų97128.3 Ų128.380%0.80284%0.841SS**  trans-123.3143.9-170.800000112.6
485L29.2Very low29.9Very low183 Ų183125.6 Ų125.696%0.95883%0.832SS**  trans-148.1141.9159-106152.4000107.9
486S27.7Very low30.1Very low97 Ų97124 Ų12468%0.67882%0.821SS**  trans-147.6157.6-159.875.20000114
487K28.9Very low31Very low200 Ų200120.7 Ų120.787%0.8781%0.805SS**  trans69.178.4161.6-61.5178.2178.5179.50118.3
488S29.4Very low32.3Very low125 Ų125116.1 Ų116.187%0.87477%0.774SS**  trans-157.6134.613056.10000107.4
489G24.6Very low34.3Very low76 Ų76117.3 Ų117.378%0.78477%0.767SS**  cis127.542.220.400000110.3
490L27.9Very low36.7Very low178 Ų178114 Ų11493%0.93273%0.733SS**  trans-131.6143.9179.7-73.5175.3000109.5
491S28.3Very low39.4Very low116 Ų116108.1 Ų108.181%0.81169%0.691SS**  trans-86166.7-16950.50000113.9D493S491-D493 PolarHBondContact O-N 3.31Å
492E24.7Very low42.2Very low191 Ų191104.2 Ų104.289%0.89365%0.651SS**  trans-65.6116.6175.8-59.3160.8127.900111.6
493D26.5Very low45.1Very low145 Ų14598.5 Ų98.578%0.77561%0.611SS**  trans-156.257.3158.6-163.915.8000109.8S491 G495S491-D493 PolarHBondContact O-N 3.31Å; D493-G495 PolarHBondContact O-N 3.49Å; D493-G495 VanDerWaalsContact O-N 3.11Å
494S26.9Very low48Very low113 Ų11392.5 Ų92.579%0.7957%0.569SS**  trans-8862.1-163.648.10000114.7S496S494-S496 VanDerWaalsContact C-N 3.29Å; S494-S496 PolarHBondContact O-N 3.46Å
495G31Very low51.1Low69 Ų6987.9 Ų87.971%0.71153%0.531SS*.  trans-79.148.8177.700000116.1D493 G497D493-G495 PolarHBondContact O-N 3.49Å; D493-G495 VanDerWaalsContact O-N 3.11Å; G495-G497 PolarHBondContact O-N 2.76Å
496S42.8Very low54.1Low82 Ų8280.5 Ų80.557%0.57349%0.493SS*.  trans-69115.1-18061.90000111.7S494 L498S494-S496 VanDerWaalsContact C-N 3.29Å; S494-S496 PolarHBondContact O-N 3.46Å; S496-L498 PolarHBondContact O-N 3.24Å
497G49Very low57.2Low41 Ų4176.8 Ų76.842%0.42346%0.464SS..THydrogen-bonded Turntrans-7038.3-173.200000116.8R302 G495R302-G497 PolarHBondContact NH1-O 2.9Å; G495-G497 PolarHBondContact O-N 2.76Å
498L59.3Low60Low50 Ų5067.8 Ų67.826%0.26243%0.425SS..THydrogen-bonded Turntrans-106.9-3.7-173.9-66.4175.5000113.5R469 S496 W500R469-L498 WeakPolarHBondContact CB-O 3.41Å; R469-L498 WeakPolarHBondContact CD-O 3.38Å; S496-L498 PolarHBondContact O-N 3.24Å; L498-W500 PolarHBondContact O-N 2.79Å
499E72.6Confident62.8Low141 Ų14163.3 Ų63.366%0.65939%0.389SS*.SBendtrans-54.3-18.2-167.3-60.7-167.2124.400116.8R469R469-E499 WeakPolarHBondContact CB-O 3.35Å; R469-E499 PolarHBondContact N-O 3.49Å
500W84.4Confident65.6Low35 Ų3559.7 Ų59.713%0.13335%0.352CS..EExtended strand (participates in β ladder)trans-145.4167.217954.4-99000110.3Q299 R302 E303 W439 Y466 W467 L498Q299-W500 HydrophobicContact CG-CZ2 4.27Å; R302-W500 PolarHBondContact NH1-O 3.42Å; R302-W500 PolarHBondContact NH2-O 3.13Å; R302-W500 VanDerWaalsContact NH2-O 3.07Å; E303-W500 HydrophobicContact CG-CH2 3.65Å; E303-W500 HydrophobicContact CG-CZ3 3.98Å; W439-W500 HydrophobicContact CH2-CB 3.89Å; W439-W500 HydrophobicContact CZ2-CB 4.26Å; Y466-W500 HydrophobicContact CD1-CB 4.44Å; Y466-W500 HydrophobicContact CD1-CD2 4.05Å; Y466-W500 AromaticContact CD1-CE3 3.54Å; Y466-W500 HydrophobicContact CD1-CE3 3.54Å; Y466-W500 HydrophobicContact CD1-CG 4.43Å; Y466-W500 HydrophobicContact CD1-CZ3 4.21Å; Y466-W500 HydrophobicContact CE1-CD2 4.21Å; Y466-W500 AromaticContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CE3 3.51Å; Y466-W500 HydrophobicContact CE1-CH2 4.48Å; Y466-W500 AromaticContact CE1-CZ3 3.69Å; Y466-W500 HydrophobicContact CE1-CZ3 3.69Å; W467-W500 WeakPolarHBondContact O-CA 3.31Å; L498-W500 PolarHBondContact O-N 2.79Å
501V87.9Confident68Low3 Ų353.2 Ų53.22%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-142.3151.1165.7154.90000107.2R302 F387 V392 Y466 W467 A503R302-V501 VanDerWaalsContact NH2-CG2 3.29Å; F387-V501 HydrophobicContact CD1-CG1 4.13Å; F387-V501 HydrophobicContact CD2-CG1 4.41Å; F387-V501 HydrophobicContact CE1-CG1 4.01Å; F387-V501 HydrophobicContact CE2-CG1 4.29Å; F387-V501 HydrophobicContact CG-CG1 4.33Å; F387-V501 HydrophobicContact CZ-CG1 4.1Å; V392-V501 HydrophobicContact CB-CG2 4.19Å; V392-V501 HydrophobicContact CG1-CG2 3.71Å; V392-V501 HydrophobicContact CG2-CG1 4.43Å; V392-V501 HydrophobicContact CG2-CG2 4.04Å; Y466-V501 WeakPolarHBondContact CA-O 3.42Å; Y466-V501 WeakPolarHBondContact CD1-O 3.44Å; W467-V501 HydrophobicContact CZ2-CG1 4.49Å; W467-V501 PolarHBondContact N-O 3.05Å; W467-V501 PolarHBondContact O-N 2.98Å; V501-A503 PolarHBondContact O-N 3.27Å
502L91.3Very high70.3Confident0 Ų052.8 Ų52.80%030%0.302CS..EExtended strand (participates in β ladder)trans-80.4113.9176.1173.362.8000109H306 R307 L310 F387 Q464 Y466 A504H306-L502 HydrophobicContact CB-CB 3.78Å; H306-L502 HydrophobicContact CB-CD2 4.35Å; H306-L502 HydrophobicContact CB-CG 4.44Å; H306-L502 PolarHBondContact ND1-N 3.49Å; R307-L502 HydrophobicContact CG-CD2 3.55Å; L310-L502 HydrophobicContact CD1-CD2 4.18Å; L310-L502 HydrophobicContact CD1-CG 3.88Å; F387-L502 WeakPolarHBondContact CZ-O 3.37Å; Q464-L502 HydrophobicContact CB-CD1 3.59Å; Q464-L502 HydrophobicContact CG-CD1 3.77Å; Q464-L502 HydrophobicContact CG-CD2 4.47Å; Y466-L502 HydrophobicContact CD1-CB 4.15Å; Y466-L502 HydrophobicContact CD1-CD1 4.44Å; Y466-L502 HydrophobicContact CD2-CD1 4.3Å; Y466-L502 HydrophobicContact CE1-CB 3.74Å; Y466-L502 HydrophobicContact CE1-CD1 4.07Å; Y466-L502 HydrophobicContact CE1-CG 4.46Å; Y466-L502 HydrophobicContact CE2-CD1 3.89Å; L502-A504 WeakPolarHBondContact CD1-O 3.35Å
503A91.7Very high72.7Confident1 Ų144.4 Ų44.41%0.00826%0.263CS..EExtended strand (participates in β ladder)trans-95.6-26.5-17200000113.9L310 I383 V384 F387 V465 W467 V501L310-A503 VanDerWaalsContact CD2-O 3.3Å; L310-A503 WeakPolarHBondContact CD2-O 3.44Å; I383-A503 HydrophobicContact CG2-CB 3.84Å; V384-A503 WeakPolarHBondContact CG1-O 3.35Å; F387-A503 HydrophobicContact CE2-CB 4.29Å; V465-A503 WeakPolarHBondContact O-CA 3.47Å; V465-A503 PolarHBondContact O-N 3.01Å; W467-A503 HydrophobicContact CB-CB 4.39Å; W467-A503 HydrophobicContact CD2-CB 4.05Å; W467-A503 HydrophobicContact CG-CB 3.9Å; V501-A503 PolarHBondContact O-N 3.27Å
504A94Very high74.6Confident0 Ų038 Ų380%023%0.229CC..EExtended strand (participates in β ladder)trans-154.4148.5179.200000111I383 Q464 V465 L502 M525I383-A504 HydrophobicContact CD1-CB 3.93Å; I383-A504 HydrophobicContact CG2-CB 3.85Å; Q464-A504 CarbonylContact C-O 3.52Å; Q464-A504 WeakPolarHBondContact CA-O 3.38Å; V465-A504 HydrophobicContact CB-CB 4.16Å; V465-A504 PolarHBondContact N-O 2.91Å; V465-A504 PolarHBondContact O-N 3.39Å; V465-A504 VanDerWaalsContact O-N 3.1Å; L502-A504 WeakPolarHBondContact CD1-O 3.35Å; A504-M525 HydrophobicContact CB-CB 3.78Å; A504-M525 HydrophobicContact CB-CE 4.07Å; A504-M525 HydrophobicContact CB-CG 4.25Å
505V94.9Very high76.1Confident0 Ų034.6 Ų34.60%021%0.211CC..EExtended strand (participates in β ladder)trans-140.2149.9174.167.20000110.8L310 F311 E462 V463 Q464 Y507 L526L310-V505 HydrophobicContact CB-CG1 4.39Å; L310-V505 HydrophobicContact CD1-CB 4.42Å; L310-V505 HydrophobicContact CD1-CG1 4.05Å; F311-V505 HydrophobicContact CD1-CG1 4.4Å; F311-V505 HydrophobicContact CE1-CG1 3.65Å; F311-V505 HydrophobicContact CZ-CG1 4.14Å; E462-V505 HydrophobicContact CG-CG2 4.01Å; V463-V505 CarbonylContact O-C 3.59Å; V463-V505 VanDerWaalsContact O-CA 3.3Å; V463-V505 WeakPolarHBondContact O-CA 3.37Å; Q464-V505 HydrophobicContact CG-CG2 3.94Å; V505-Y507 HydrophobicContact CG1-CE2 4.5Å; V505-Y507 HydrophobicContact CG2-CE2 3.73Å; V505-L526 HydrophobicContact CG1-CB 4.35Å; V505-L526 PolarHBondContact N-O 3.02Å; V505-L526 WeakPolarHBondContact O-CB 3.43Å; V505-L526 WeakPolarHBondContact O-CG 3.35Å; V505-L526 PolarHBondContact O-N 3.02Å
506N93.4Very high77.3Confident28 Ų2833 Ų3315%0.1520%0.195CC..EExtended strand (participates in β ladder)trans-155.1168.1158.7-162.714.4000110.8V463 L523 P524 M525V463-N506 PolarHBondContact N-O 3.2Å; V463-N506 PolarHBondContact O-N 3.12Å; N506-L523 HydrophobicContact CB-CD2 4.15Å; N506-L523 HydrophobicContact CB-CG 4.22Å; N506-L523 WeakPolarHBondContact ND2-CD1 3.36Å; N506-P524 PolarHBondContact ND2-O 3.42Å; N506-M525 HydrophobicContact CB-CE 4.28Å; N506-M525 HydrophobicContact CB-SD 4.04Å
507Y91.6Very high78.1Confident19 Ų1935.6 Ų35.68%0.07520%0.198CC..EExtended strand (participates in β ladder)trans-125.6144.1-175-58.5-101.1000109.6R264 F311 H431 L461 E462 V505R264-Y507 VanDerWaalsContact NE-CG 3.3Å; R264-Y507 VanDerWaalsContact NH2-CB 3.32Å; F311-Y507 AromaticContact CE1-CE2 3.9Å; F311-Y507 HydrophobicContact CE1-CE2 3.9Å; F311-Y507 AromaticContact CZ-CE2 3.73Å; F311-Y507 HydrophobicContact CZ-CE2 3.73Å; H431-Y507 AromaticContact CE1-CE1 3.95Å; L461-Y507 CarbonylContact O-C 3.59Å; L461-Y507 WeakPolarHBondContact O-CA 3.49Å; E462-Y507 HydrophobicContact CB-CD1 3.71Å; E462-Y507 HydrophobicContact CB-CE1 3.59Å; E462-Y507 VanDerWaalsContact CD-OH 3.26Å; E462-Y507 HydrophobicContact CG-CD1 3.96Å; E462-Y507 HydrophobicContact CG-CE1 3.42Å; E462-Y507 VanDerWaalsContact CG-CE1 3.42Å; E462-Y507 PolarHBondContact OE1-OH 2.64Å; E462-Y507 WeakPolarHBondContact OE2-CE1 3.45Å; V505-Y507 HydrophobicContact CG1-CE2 4.5Å; V505-Y507 HydrophobicContact CG2-CE2 3.73Å
508V88.7Confident79Confident10 Ų1037.1 Ų37.16%0.06120%0.202CC..EExtended strand (participates in β ladder)trans-128.3118.9174.8179.30000107.9E460 L461 L510 L513 L523E460-V508 WeakPolarHBondContact CA-O 3.39Å; L461-V508 HydrophobicContact CB-CB 4.39Å; L461-V508 PolarHBondContact N-O 3.36Å; L461-V508 PolarHBondContact O-N 2.96Å; V508-L510 PolarHBondContact O-N 2.86Å; V508-L513 HydrophobicContact CG1-CD1 4.25Å; V508-L513 HydrophobicContact CG1-CD2 4.02Å; V508-L513 HydrophobicContact CG1-CG 4.12Å; V508-L523 HydrophobicContact CG2-CD1 3.53Å; V508-L523 HydrophobicContact CG2-CD2 4.06Å; V508-L523 HydrophobicContact CG2-CG 4.47Å
509R86.9Confident79.6Confident31 Ų3139.6 Ų39.612%0.11721%0.208CC..EExtended strand (participates in β ladder)trans-70.4126.8176.4-60.1176.9177.8-149.53.4108.7E260 S364 P366 E460 E511 E512E260-R509 IonicContact OE1-CZ 2.75Å; E260-R509 IonicContact OE1-NE 2.79Å; E260-R509 IonicContact OE1-NH2 2.69Å; E260-R509 PolarHBondContact OE1-NH2 3.32Å; E260-R509 IonicContact OE2-NH2 2.69Å; E260-R509 PolarHBondContact OE2-NH2 3.13Å; S364-R509 PolarHBondContact O-NH1 2.92Å; P366-R509 HydrophobicContact CB-CB 4.41Å; P366-R509 HydrophobicContact CB-CG 4.15Å; E460-R509 HydrophobicContact CG-CG 4.27Å; E460-R509 WeakPolarHBondContact OE1-CG 3.28Å; E460-R509 IonicContact OE1-NE 2.69Å; R509-E511 HydrophobicContact CB-CG 4.02Å; R509-E511 IonicContact NH1-OE1 3.24Å; R509-E511 PolarHBondContact O-N 3.14Å; R509-E511 VanDerWaalsContact O-N 3.12Å; R509-E512 HydrophobicContact CB-CG 4.14Å; R509-E512 WeakPolarHBondContact O-CB 3.31Å; R509-E512 PolarHBondContact O-N 3.04Å
510L84.6Confident79.9Confident0 Ų037.7 Ų37.70%021%0.21CC..G310 helixtrans-65.2-21.1-175.3-63.9175.1000112.1I369 L373 I455 K459 L461 V508 E512 L513 F537I369-L510 HydrophobicContact CD1-CB 4.21Å; L373-L510 HydrophobicContact CD2-CD2 3.93Å; I455-L510 HydrophobicContact CD1-CD1 3.74Å; I455-L510 HydrophobicContact CD1-CD2 4.18Å; I455-L510 HydrophobicContact CG2-CD1 4.1Å; K459-L510 PolarHBondContact O-N 3.15Å; L461-L510 HydrophobicContact CB-CD2 3.98Å; V508-L510 PolarHBondContact O-N 2.86Å; L510-E512 PolarHBondContact O-N 2.87Å; L510-L513 HydrophobicContact CD2-CD1 3.88Å; L510-L513 PolarHBondContact O-N 2.88Å; L510-F537 HydrophobicContact CB-CE2 4.29Å; L510-F537 HydrophobicContact CD2-CE2 4.29Å
511E77.5Confident79.8Confident43 Ų4337.9 Ų37.920%0.20122%0.215CC..G310 helixtrans-66-22.4173.471.7-164.2162.100114.4R205 T367 I369 R509 L514R205-E511 PolarHBondContact NH2-O 2.69Å; T367-E511 WeakPolarHBondContact CB-OE2 3.35Å; T367-E511 PolarHBondContact N-OE2 2.82Å; T367-E511 PolarHBondContact OG1-OE2 2.92Å; I369-E511 HydrophobicContact CD1-CB 3.71Å; I369-E511 VanDerWaalsContact CD1-N 3.29Å; R509-E511 HydrophobicContact CB-CG 4.02Å; R509-E511 IonicContact NH1-OE1 3.24Å; R509-E511 PolarHBondContact O-N 3.14Å; R509-E511 VanDerWaalsContact O-N 3.12Å; E511-L514 HydrophobicContact CB-CD1 4.19Å; E511-L514 WeakPolarHBondContact O-CB 3.38Å; E511-L514 WeakPolarHBondContact O-CD1 3.15Å; E511-L514 WeakPolarHBondContact O-CG 3.42Å
512E77.1Confident79.7Confident107 Ų10742.6 Ų42.650%0.524%0.238SC..G310 helixtrans-77.4-26.9174.9-62.4168.6-164.900111.7R509 L510 L514 R519R509-E512 HydrophobicContact CB-CG 4.14Å; R509-E512 WeakPolarHBondContact O-CB 3.31Å; R509-E512 PolarHBondContact O-N 3.04Å; L510-E512 PolarHBondContact O-N 2.87Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 3.08Å; E512-R519 PolarHBondContact O-NH1 3.28Å
513L75.3Confident79.7Confident14 Ų1443.1 Ų43.17%0.07324%0.241CC..G310 helixtrans-81.5-1.5179.9-55.7-178.7000113.8L373 V508 L510 G515 L535 F537L373-L513 HydrophobicContact CD1-CD1 3.9Å; V508-L513 HydrophobicContact CG1-CD1 4.25Å; V508-L513 HydrophobicContact CG1-CD2 4.02Å; V508-L513 HydrophobicContact CG1-CG 4.12Å; L510-L513 HydrophobicContact CD2-CD1 3.88Å; L510-L513 PolarHBondContact O-N 2.88Å; L513-G515 VanDerWaalsContact C-N 3.31Å; L513-G515 PolarHBondContact O-N 2.96Å; L513-L535 HydrophobicContact CD1-CB 4.48Å; L513-L535 HydrophobicContact CD1-CD1 4.07Å; L513-L535 HydrophobicContact CD2-CB 4.23Å; L513-L535 HydrophobicContact CD2-CD1 3.76Å; L513-F537 HydrophobicContact CB-CB 4.08Å; L513-F537 HydrophobicContact CB-CD2 4.25Å
514L66.1Low79.7Confident12 Ų1246.9 Ų46.96%0.06327%0.266CS..THydrogen-bonded Turntrans-7077.3-178.3-66.1175.9000112.8R205 I369 E511 E512 P540 L542R205-L514 PolarHBondContact NH1-O 2.75Å; I369-L514 HydrophobicContact CD1-CD1 3.84Å; I369-L514 HydrophobicContact CD1-CD2 3.99Å; I369-L514 HydrophobicContact CD1-CG 4.02Å; I369-L514 HydrophobicContact CG1-CD1 4.49Å; I369-L514 HydrophobicContact CG1-CD2 4.34Å; I369-L514 HydrophobicContact CG2-CD2 4Å; E511-L514 HydrophobicContact CB-CD1 4.19Å; E511-L514 WeakPolarHBondContact O-CB 3.38Å; E511-L514 WeakPolarHBondContact O-CD1 3.15Å; E511-L514 WeakPolarHBondContact O-CG 3.42Å; E512-L514 VanDerWaalsContact C-N 3.27Å; E512-L514 PolarHBondContact O-N 3.08Å; L514-P540 HydrophobicContact CD2-CB 3.37Å; L514-P540 HydrophobicContact CD2-CG 4.22Å; L514-L542 HydrophobicContact CD1-CD1 4.1Å; L514-L542 HydrophobicContact CD1-CD2 3.68Å; L514-L542 HydrophobicContact CD1-CG 3.91Å
515G58.7Low79.7Confident40 Ų4047.2 Ų47.241%0.41227%0.267SS..THydrogen-bonded Turntrans-148.4-10.517700000116.6L513 E517L513-G515 VanDerWaalsContact C-N 3.31Å; L513-G515 PolarHBondContact O-N 2.96Å; G515-E517 PolarHBondContact O-N 3.36Å
516G54.9Low79.5Confident36 Ų3648.1 Ų48.137%0.37127%0.272SS..SBendtrans75.1-28.1-17800000115.3F537G516-F537 WeakPolarHBondContact CA-O 3.31Å
517E60.7Low79.4Confident137 Ų13748.6 Ų48.664%0.6428%0.276SS*.SBendtrans-70146176.1-62.5178.1150.600112.9G515 R519G515-E517 PolarHBondContact O-N 3.36Å; E517-R519 PolarHBondContact O-N 3.49Å
518S67.7Low79.3Confident72 Ų7251.7 Ų51.750%0.50329%0.293SS..  trans-74.9109.1169.5-59.10000110.3
519R71.9Confident79.4Confident103 Ų10351.9 Ų51.939%0.38930%0.297SS..EExtended strand (participates in β ladder)trans-97119.8176.8-67.9-174.8178.4163.44111.2E512 E517 V521 V534 L535E512-R519 PolarHBondContact O-NH1 3.28Å; E517-R519 PolarHBondContact O-N 3.49Å; R519-V521 HydrophobicContact CB-CG2 4.06Å; R519-V521 PolarHBondContact O-N 2.87Å; R519-V534 CarbonylContact O-C 3.16Å; R519-V534 WeakPolarHBondContact O-CA 3.42Å; R519-L535 PolarHBondContact N-O 3.5Å; R519-L535 PolarHBondContact O-N 3.02Å
520S79.5Confident79.7Confident101 Ų10153.3 Ų53.371%0.70630%0.304SS*.EExtended strand (participates in β ladder)trans-72.6112.6163.2-62.40000109L533S520-L533 CarbonylContact C-O 3.57Å; S520-L533 WeakPolarHBondContact CA-O 3.21Å
521V80.9Confident80.1Confident39 Ų3953.3 Ų53.324%0.23630%0.304CS..EExtended strand (participates in β ladder)trans-112.6112.6-176.7-178.70000109.5R519 L523 L533 L535R519-V521 HydrophobicContact CB-CG2 4.06Å; R519-V521 PolarHBondContact O-N 2.87Å; V521-L523 HydrophobicContact CG1-CB 4.21Å; V521-L523 HydrophobicContact CG1-CD1 4.39Å; V521-L523 PolarHBondContact O-N 3.18Å; V521-L533 PolarHBondContact N-O 3.16Å; V521-L533 PolarHBondContact O-N 3.12Å; V521-L535 HydrophobicContact CB-CD1 4.43Å; V521-L535 HydrophobicContact CG2-CD1 4.08Å; V521-L535 HydrophobicContact CG2-CG 4.45Å
522M87.3Confident80.9Confident102 Ų10253.1 Ų53.150%0.50230%0.302SS..EExtended strand (participates in β ladder)trans-81.685.5164.8179.1-174.161.700107.9P524 K530 F532M522-P524 VanDerWaalsContact O-CD 3.31Å; M522-P524 WeakPolarHBondContact O-CD 3.48Å; M522-K530 HydrophobicContact CG-CB 4.44Å; M522-K530 HydrophobicContact CG-CD 3.87Å; M522-K530 HydrophobicContact CG-CG 4.28Å; M522-K530 HydrophobicContact SD-CD 3.67Å; M522-K530 PolarHBondContact SD-NZ 3.1Å; M522-K530 VanDerWaalsContact SD-NZ 3.37Å; M522-F532 HydrophobicContact CB-CD1 4.39Å; M522-F532 HydrophobicContact CB-CE1 4.48Å; M522-F532 HydrophobicContact CG-CD1 4.21Å; M522-F532 HydrophobicContact CG-CE1 3.88Å; M522-F532 HydrophobicContact SD-CE1 4.3Å
523L89.7Confident81.7Confident10 Ų1048.1 Ų48.15%0.05228%0.279CS..EExtended strand (participates in β ladder)trans-75.1115-175-170.666.2000109.7V463 N506 V508 V521 M525 K530 V531 L533V463-L523 HydrophobicContact CB-CD2 3.85Å; V463-L523 HydrophobicContact CG1-CD2 4.21Å; V463-L523 HydrophobicContact CG2-CD2 3.69Å; N506-L523 HydrophobicContact CB-CD2 4.15Å; N506-L523 HydrophobicContact CB-CG 4.22Å; N506-L523 WeakPolarHBondContact ND2-CD1 3.36Å; V508-L523 HydrophobicContact CG2-CD1 3.53Å; V508-L523 HydrophobicContact CG2-CD2 4.06Å; V508-L523 HydrophobicContact CG2-CG 4.47Å; V521-L523 HydrophobicContact CG1-CB 4.21Å; V521-L523 HydrophobicContact CG1-CD1 4.39Å; V521-L523 PolarHBondContact O-N 3.18Å; L523-M525 HydrophobicContact CD2-SD 4.19Å; L523-M525 HydrophobicContact CG-SD 4.27Å; L523-K530 CarbonylContact O-C 3.59Å; L523-K530 VanDerWaalsContact O-CA 3.3Å; L523-K530 WeakPolarHBondContact O-CA 3.08Å; L523-V531 PolarHBondContact N-O 3.28Å; L523-V531 PolarHBondContact O-N 3.17Å; L523-L533 HydrophobicContact CD2-CD1 4.21Å
524P91.6Very high82.4Confident81 Ų8148.8 Ų48.853%0.52628%0.283SS..EExtended strand (participates in β ladder)trans-69.3138.5173.230.1-34000109.3N506 M522N506-P524 PolarHBondContact ND2-O 3.42Å; M522-P524 VanDerWaalsContact O-CD 3.31Å; M522-P524 WeakPolarHBondContact O-CD 3.48Å
525M93.9Very high83.5Confident6 Ų648.3 Ų48.33%0.0328%0.281CS..PPolyproline II helixtrans-102.2153.1-177.1-57.6-54.5-72.100111.9I383 V463 V465 A504 N506 L523 P527 M528 G529 V531I383-M525 HydrophobicContact CD1-CB 4.34Å; I383-M525 HydrophobicContact CD1-CG 4Å; V463-M525 HydrophobicContact CG1-CE 4.28Å; V463-M525 WeakPolarHBondContact O-CE 3.37Å; V465-M525 HydrophobicContact CG2-CE 4.28Å; A504-M525 HydrophobicContact CB-CB 3.78Å; A504-M525 HydrophobicContact CB-CE 4.07Å; A504-M525 HydrophobicContact CB-CG 4.25Å; N506-M525 HydrophobicContact CB-CE 4.28Å; N506-M525 HydrophobicContact CB-SD 4.04Å; L523-M525 HydrophobicContact CD2-SD 4.19Å; L523-M525 HydrophobicContact CG-SD 4.27Å; M525-P527 CarbonylContact O-C 3.54Å; M525-P527 VanDerWaalsContact O-C 3.32Å; M525-M528 CarbonylContact O-C 3.56Å; M525-M528 WeakPolarHBondContact O-CA 3.22Å; M525-M528 PolarHBondContact O-N 3.1Å; M525-M528 VanDerWaalsContact O-N 3.13Å; M525-G529 PolarHBondContact N-O 2.93Å; M525-V531 HydrophobicContact CE-CG2 3.98Å; M525-V531 HydrophobicContact CG-CB 4.43Å; M525-V531 HydrophobicContact CG-CG2 3.78Å; M525-V531 HydrophobicContact SD-CB 3.94Å; M525-V531 HydrophobicContact SD-CG2 3.57Å; M525-V531 VanDerWaalsContact SD-CG2 3.57Å
526L92.4Very high84.8Confident20 Ų2049.8 Ų49.811%0.10528%0.276CS..BIsolated β-bridgetrans-95.7127.9177.5-59.5176.4000109.9L261 F311 S314 V505L261-L526 HydrophobicContact CD2-CD1 3.88Å; L261-L526 HydrophobicContact CD2-CD2 4.29Å; F311-L526 HydrophobicContact CD1-CD1 4.04Å; F311-L526 HydrophobicContact CE1-CD1 3.96Å; S314-L526 WeakPolarHBondContact OG-CB 3.5Å; V505-L526 HydrophobicContact CG1-CB 4.35Å; V505-L526 PolarHBondContact N-O 3.02Å; V505-L526 WeakPolarHBondContact O-CB 3.43Å; V505-L526 WeakPolarHBondContact O-CG 3.35Å; V505-L526 PolarHBondContact O-N 3.02Å
527P90.1Very high86.1Confident37 Ų3748.1 Ų48.124%0.2426%0.259CS..SBendcis-82.4-18.3-2.134.7-38.1000114.4L310 E313 S314 M525L310-P527 HydrophobicContact CD2-CG 4.42Å; E313-P527 HydrophobicContact CB-CB 4.07Å; E313-P527 HydrophobicContact CB-CG 4.2Å; S314-P527 VanDerWaalsContact OG-CA 3.24Å; S314-P527 WeakPolarHBondContact OG-CA 3.29Å; M525-P527 CarbonylContact O-C 3.54Å; M525-P527 VanDerWaalsContact O-C 3.32Å
528M90.9Very high86.9Confident85 Ų8542.8 Ų42.842%0.41924%0.237SC..SBendtrans-150.1164.7-178.767.5-177.772.800112V384 M525V384-M528 HydrophobicContact CB-CG 3.93Å; V384-M528 HydrophobicContact CB-SD 4.11Å; V384-M528 HydrophobicContact CG2-CE 3.99Å; V384-M528 HydrophobicContact CG2-CG 4.4Å; V384-M528 HydrophobicContact CG2-SD 4.04Å; M525-M528 CarbonylContact O-C 3.56Å; M525-M528 WeakPolarHBondContact O-CA 3.22Å; M525-M528 PolarHBondContact O-N 3.1Å; M525-M528 VanDerWaalsContact O-N 3.13Å
529G90.5Very high86.9Confident14 Ų1445.5 Ų45.514%0.14425%0.245CC..  trans97.2-175.3178.600000113.9Q381 D382 M525Q381-G529 CarbonylContact O-C 3.56Å; Q381-G529 VanDerWaalsContact O-CA 3.23Å; Q381-G529 WeakPolarHBondContact O-CA 3.3Å; D382-G529 WeakPolarHBondContact O-CA 3.15Å; D382-G529 PolarHBondContact O-N 2.89Å; D382-G529 VanDerWaalsContact O-N 3.14Å; M525-G529 PolarHBondContact N-O 2.93Å
530K92.8Very high86.7Confident61 Ų6143 Ų4327%0.26524%0.243SC..EExtended strand (participates in β ladder)trans-144.9143.1-174.2-67.4171.2176-176.50110.7C380 Q381 M522 L523 F532C380-K530 CarbonylContact C-O 3.18Å; C380-K530 WeakPolarHBondContact CA-O 3.36Å; C380-K530 WeakPolarHBondContact CB-O 3.33Å; Q381-K530 PolarHBondContact N-O 3.04Å; Q381-K530 PolarHBondContact O-N 2.68Å; M522-K530 HydrophobicContact CG-CB 4.44Å; M522-K530 HydrophobicContact CG-CD 3.87Å; M522-K530 HydrophobicContact CG-CG 4.28Å; M522-K530 HydrophobicContact SD-CD 3.67Å; M522-K530 PolarHBondContact SD-NZ 3.1Å; M522-K530 VanDerWaalsContact SD-NZ 3.37Å; L523-K530 CarbonylContact O-C 3.59Å; L523-K530 VanDerWaalsContact O-CA 3.3Å; L523-K530 WeakPolarHBondContact O-CA 3.08Å; K530-F532 HydrophobicContact CB-CZ 4.46Å
531V93.7Very high85.5Confident0 Ų044 Ų440%024%0.24CC..EExtended strand (participates in β ladder)trans-116.5135.2165175.20000108.6G379 C380 W447 V463 V465 L523 M525 L533G379-V531 WeakPolarHBondContact O-CA 2.95Å; C380-V531 HydrophobicContact CB-CG2 4.08Å; W447-V531 HydrophobicContact CZ3-CG1 4.48Å; V463-V531 HydrophobicContact CG1-CG1 4.32Å; V465-V531 HydrophobicContact CG2-CG2 3.43Å; V465-V531 VanDerWaalsContact CG2-CG2 3.43Å; L523-V531 PolarHBondContact N-O 3.28Å; L523-V531 PolarHBondContact O-N 3.17Å; M525-V531 HydrophobicContact CE-CG2 3.98Å; M525-V531 HydrophobicContact CG-CB 4.43Å; M525-V531 HydrophobicContact CG-CG2 3.78Å; M525-V531 HydrophobicContact SD-CB 3.94Å; M525-V531 HydrophobicContact SD-CG2 3.57Å; M525-V531 VanDerWaalsContact SD-CG2 3.57Å; V531-L533 HydrophobicContact CG1-CD2 3.65Å; V531-L533 HydrophobicContact CG1-CG 3.95Å
532F93.7Very high84.3Confident38 Ų3845.3 Ų45.317%0.16725%0.245CC..EExtended strand (participates in β ladder)trans-98.7113.2179.8-58.8-85.6000109.1L378 G379 Q381 Q444 M522 K530L378-F532 HydrophobicContact CB-CB 3.98Å; L378-F532 WeakPolarHBondContact CB-O 3.2Å; L378-F532 HydrophobicContact CD1-CB 4.17Å; L378-F532 PolarHBondContact N-O 2.85Å; G379-F532 PolarHBondContact O-N 3.49Å; Q381-F532 HydrophobicContact CB-CE2 4.03Å; Q444-F532 HydrophobicContact CB-CD2 4.3Å; Q444-F532 HydrophobicContact CB-CE2 4.08Å; Q444-F532 HydrophobicContact CG-CE2 3.81Å; Q444-F532 HydrophobicContact CG-CZ 4.12Å; M522-F532 HydrophobicContact CB-CD1 4.39Å; M522-F532 HydrophobicContact CB-CE1 4.48Å; M522-F532 HydrophobicContact CG-CD1 4.21Å; M522-F532 HydrophobicContact CG-CE1 3.88Å; M522-F532 HydrophobicContact SD-CE1 4.3Å; K530-F532 HydrophobicContact CB-CZ 4.46Å
533L92.8Very high82.2Confident2 Ų241.6 Ų41.61%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-119.5154.6179.5-56.5179000110.3V375 R376 C377 V463 S520 V521 L523 V531 L535V375-L533 HydrophobicContact CG1-CD2 4.35Å; R376-L533 CarbonylContact O-C 3.59Å; R376-L533 WeakPolarHBondContact O-CA 3.37Å; C377-L533 HydrophobicContact CB-CD2 3.96Å; V463-L533 HydrophobicContact CG2-CD1 4.05Å; S520-L533 CarbonylContact C-O 3.57Å; S520-L533 WeakPolarHBondContact CA-O 3.21Å; V521-L533 PolarHBondContact N-O 3.16Å; V521-L533 PolarHBondContact O-N 3.12Å; L523-L533 HydrophobicContact CD2-CD1 4.21Å; V531-L533 HydrophobicContact CG1-CD2 3.65Å; V531-L533 HydrophobicContact CG1-CG 3.95Å; L533-L535 HydrophobicContact CB-CD2 4.25Å; L533-L535 HydrophobicContact CB-CG 4.21Å; L533-L535 HydrophobicContact CD1-CD2 4.24Å
534V90.6Very high79.7Confident28 Ų2848.7 Ų48.717%0.1726%0.259CS..EExtended strand (participates in β ladder)trans-116.7123155.1-167.50000107.2V375 R376 L378 R519V375-V534 WeakPolarHBondContact CA-O 3.49Å; R376-V534 HydrophobicContact CB-CB 4.11Å; R376-V534 HydrophobicContact CB-CG2 4.45Å; R376-V534 PolarHBondContact N-O 2.9Å; R376-V534 PolarHBondContact O-N 3.49Å; L378-V534 HydrophobicContact CD1-CG2 4.25Å; R519-V534 CarbonylContact O-C 3.16Å; R519-V534 WeakPolarHBondContact O-CA 3.42Å
535L89.9Confident76.7Confident3 Ų350.7 Ų50.72%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-115.4128.4-176.6-59.7177.7000109.3E374 V375 L461 L513 R519 V521 L533E374-L535 WeakPolarHBondContact O-CA 3.4Å; V375-L535 HydrophobicContact CB-CD2 4.1Å; V375-L535 HydrophobicContact CG1-CD2 3.72Å; V375-L535 HydrophobicContact CG2-CD2 3.65Å; L461-L535 HydrophobicContact CD2-CD1 4.4Å; L461-L535 HydrophobicContact CD2-CD2 4.02Å; L513-L535 HydrophobicContact CD1-CB 4.48Å; L513-L535 HydrophobicContact CD1-CD1 4.07Å; L513-L535 HydrophobicContact CD2-CB 4.23Å; L513-L535 HydrophobicContact CD2-CD1 3.76Å; R519-L535 PolarHBondContact N-O 3.5Å; R519-L535 PolarHBondContact O-N 3.02Å; V521-L535 HydrophobicContact CB-CD1 4.43Å; V521-L535 HydrophobicContact CG2-CD1 4.08Å; V521-L535 HydrophobicContact CG2-CG 4.45Å; L533-L535 HydrophobicContact CB-CD2 4.25Å; L533-L535 HydrophobicContact CB-CG 4.21Å; L533-L535 HydrophobicContact CD1-CD2 4.24Å
536K85.5Confident73.8Confident70 Ų7055.9 Ų55.930%0.30429%0.292SS..EExtended strand (participates in β ladder)trans-132.5109.2173.3-176-161.3174.5-167.50109.6E374 S538E374-K536 HydrophobicContact CB-CB 4.24Å; E374-K536 PolarHBondContact N-O 3.4Å; E374-K536 PolarHBondContact O-N 3.34Å; K536-S538 WeakPolarHBondContact CE-OG 3.38Å
537F82.8Confident70.7Confident1 Ų157.6 Ų57.60%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-90.7109.2174.7-152.7-62.5000109.6I369 L373 I455 L510 L513 G516 P540I369-F537 HydrophobicContact CG2-CE1 3.86Å; I369-F537 HydrophobicContact CG2-CE2 4.22Å; I369-F537 HydrophobicContact CG2-CZ 3.52Å; L373-F537 HydrophobicContact CB-CD2 4.17Å; L373-F537 HydrophobicContact CB-CE2 4.27Å; L373-F537 HydrophobicContact CD1-CB 4.36Å; L373-F537 HydrophobicContact CD1-CD2 4.03Å; I455-F537 HydrophobicContact CD1-CE2 4.1Å; L510-F537 HydrophobicContact CB-CE2 4.29Å; L510-F537 HydrophobicContact CD2-CE2 4.29Å; L513-F537 HydrophobicContact CB-CB 4.08Å; L513-F537 HydrophobicContact CB-CD2 4.25Å; G516-F537 WeakPolarHBondContact CA-O 3.31Å; F537-P540 HydrophobicContact CD1-CB 3.78Å; F537-P540 HydrophobicContact CE1-CB 3.91Å
538S76.8Confident67.9Low26 Ų2657.1 Ų57.118%0.18231%0.306CS..EExtended strand (participates in β ladder)trans-99150.4178-49.60000110.5S372 K536 P540S372-S538 PolarHBondContact N-O 3.14Å; S372-S538 PolarHBondContact O-N 2.99Å; K536-S538 WeakPolarHBondContact CE-OG 3.38Å; S538-P540 VanDerWaalsContact C-CD 3.44Å
539D67.8Low65.1Low128 Ų12854.6 Ų54.668%0.68429%0.294SS*.EExtended strand (participates in β ladder)trans47.749.7178.5-49.6-49.4000115.6G371 L541G371-D539 WeakPolarHBondContact CA-O 3.43Å; D539-L541 PolarHBondContact O-N 2.96Å
540P66.8Low62.7Low52 Ų5258.4 Ų58.434%0.33831%0.308SS..EExtended strand (participates in β ladder)trans-69.5100.2-17728.6-35000113I369 L514 F537 S538 L542I369-P540 HydrophobicContact CG2-CB 4.49Å; L514-P540 HydrophobicContact CD2-CB 3.37Å; L514-P540 HydrophobicContact CD2-CG 4.22Å; F537-P540 HydrophobicContact CD1-CB 3.78Å; F537-P540 HydrophobicContact CE1-CB 3.91Å; S538-P540 VanDerWaalsContact C-CD 3.44Å; P540-L542 PolarHBondContact O-N 3.33Å
541L54.8Low60Low122 Ų12258 Ų5864%0.63931%0.305SS*.EExtended strand (participates in β ladder)trans-80.695.4163-64.7178000108.8T370 D539 S543T370-L541 PolarHBondContact N-O 3.46Å; T370-L541 WeakPolarHBondContact O-CA 3.47Å; T370-L541 PolarHBondContact O-N 3.01Å; D539-L541 PolarHBondContact O-N 2.96Å; L541-S543 VanDerWaalsContact C-N 3.33Å; L541-S543 PolarHBondContact O-N 3.12Å
542L56.5Low57.1Low65 Ų6564.3 Ų64.334%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-57.397.6161.1-89.9159.4000108.9F198 T367 I369 L514 P540 K544F198-L542 HydrophobicContact CE2-CD1 3.56Å; F198-L542 HydrophobicContact CE2-CD2 4.04Å; F198-L542 HydrophobicContact CE2-CG 4.46Å; F198-L542 HydrophobicContact CZ-CD1 3.7Å; T367-L542 HydrophobicContact CG2-CD2 4.04Å; I369-L542 HydrophobicContact CG1-CD2 4.16Å; L514-L542 HydrophobicContact CD1-CD1 4.1Å; L514-L542 HydrophobicContact CD1-CD2 3.68Å; L514-L542 HydrophobicContact CD1-CG 3.91Å; P540-L542 PolarHBondContact O-N 3.33Å; L542-K544 PolarHBondContact O-N 2.94Å
543S43.3Very low54.2Low25 Ų2569.6 Ų69.618%0.17536%0.357CS..  trans-66.1125.5168.180.70000107.5A368 L541A368-S543 PolarHBondContact O-OG 3.36Å; L541-S543 VanDerWaalsContact C-N 3.33Å; L541-S543 PolarHBondContact O-N 3.12Å
544K37.6Very low51.3Low158 Ų15876.1 Ų76.169%0.68738%0.382SS*.  trans-52.5160.4145.1-73.5-179.6177.5177.20107.1L542 R546L542-K544 PolarHBondContact O-N 2.94Å; K544-R546 PolarHBondContact O-N 2.88Å
545P27.9Very low48.5Very low124 Ų12480.6 Ų80.681%0.80540%0.404SS*.  trans-63.176.8158.230.1-35000109.3
546R31.9Very low45.5Very low114 Ų11485.5 Ų85.543%0.4343%0.426SS..PPolyproline II helixtrans-63.9119.8142.8-73.5-178.7173.2-176.8-3.4103.4R457 K544 G548 N870 E972R457-R546 PolarHBondContact NH1-O 3.42Å; K544-R546 PolarHBondContact O-N 2.88Å; R546-G548 PolarHBondContact O-N 2.65Å; R546-N870 PolarHBondContact NH2-OD1 3.47Å; R546-E972 VanDerWaalsContact CA-OE1 3.24Å; R546-E972 WeakPolarHBondContact CA-OE1 3.41Å
547C28.1Very low42.7Very low57 Ų5785.9 Ų85.939%0.38544%0.437SS..PPolyproline II helixtrans-51.9137.6154.6-64.50000107.1R457 L549 E972R457-C547 PolarHBondContact NH2-O 2.75Å; C547-L549 PolarHBondContact O-N 3.47Å; C547-E972 HydrophobicContact CB-CB 4.32Å; C547-E972 HydrophobicContact CB-CG 3.79Å; C547-E972 WeakPolarHBondContact CB-OE2 3.49Å; C547-E972 VanDerWaalsContact N-CD 3.27Å; C547-E972 PolarHBondContact N-OE1 3.47Å; C547-E972 PolarHBondContact SG-OE2 3.43Å
548G31Very low40.6Very low26 Ų2692.8 Ų92.827%0.26847%0.467SS..PPolyproline II helixtrans-61.5137.4157.200000106.4R546 H550R546-G548 PolarHBondContact O-N 2.65Å; G548-H550 VanDerWaalsContact C-N 3.31Å; G548-H550 PolarHBondContact O-N 2.93Å; G548-H550 PolarHBondContact O-ND1 2.88Å
549L33Very low38.7Very low32 Ų32102.3 Ų102.317%0.16850%0.499CS..  trans-56100.8167.8-84.7156.3000107.4C547 R551 Q552 M864 I867 E967 G971C547-L549 PolarHBondContact O-N 3.47Å; L549-R551 PolarHBondContact O-N 3.4Å; L549-Q552 PolarHBondContact O-N 2.69Å; L549-M864 HydrophobicContact CB-CE 4.37Å; L549-M864 HydrophobicContact CD1-CE 4.08Å; L549-M864 HydrophobicContact CD1-SD 4.41Å; L549-I867 HydrophobicContact CD1-CG2 4.17Å; L549-E967 HydrophobicContact CD2-CG 4.01Å; L549-E967 VanDerWaalsContact CD2-OE1 3.22Å; L549-E967 WeakPolarHBondContact CD2-OE1 3.15Å; L549-G971 VanDerWaalsContact CG-O 3.29Å; L549-G971 WeakPolarHBondContact CG-O 3.35Å
550H39.2Very low37Very low94 Ų94104.7 Ų104.744%0.43550%0.503SS..G310 helixtrans-61.9-20.6-166.4-93.758.8000112G548 Q552 K553G548-H550 VanDerWaalsContact C-N 3.31Å; G548-H550 PolarHBondContact O-N 2.93Å; G548-H550 PolarHBondContact O-ND1 2.88Å; H550-Q552 PolarHBondContact O-N 2.75Å; H550-K553 PolarHBondContact O-N 2.84Å
551R35.8Very low35.6Very low54 Ų54103.6 Ų103.620%0.20450%0.502CS..G310 helixtrans-27.7-41.7161.3-63.7-179.1121.1-130.8-14115.5L549 M864 D904 E940 E967L549-R551 PolarHBondContact O-N 3.4Å; R551-M864 HydrophobicContact CB-CE 4.42Å; R551-M864 PolarHBondContact NH1-SD 2.86Å; R551-M864 VanDerWaalsContact NH1-SD 3.41Å; R551-D904 IonicContact CZ-OD1 2.95Å; R551-D904 IonicContact CZ-OD2 3.53Å; R551-D904 VanDerWaalsContact CZ-OD2 3.24Å; R551-D904 VanDerWaalsContact NH1-CG 3.28Å; R551-D904 IonicContact NH1-OD1 2.95Å; R551-D904 PolarHBondContact NH1-OD1 2.76Å; R551-D904 IonicContact NH1-OD2 3.34Å; R551-D904 PolarHBondContact NH1-OD2 3.12Å; R551-D904 IonicContact NH2-OD1 3.09Å; R551-D904 IonicContact NH2-OD2 2.7Å; R551-D904 PolarHBondContact NH2-OD2 2.87Å; R551-E940 WeakPolarHBondContact CG-OE2 3.33Å; R551-E940 IonicContact CZ-OE1 2.71Å; R551-E940 VanDerWaalsContact CZ-OE1 3.26Å; R551-E940 IonicContact NE-OE1 3.78Å; R551-E940 PolarHBondContact NE-OE1 2.97Å; R551-E940 IonicContact NE-OE2 3.89Å; R551-E940 IonicContact NH2-OE1 3.99Å; R551-E940 PolarHBondContact NH2-OE1 3.19Å; R551-E967 WeakPolarHBondContact CD-OE1 3.38Å; R551-E967 IonicContact NE-OE1 3.58Å
552Q34.1Very low35.1Very low132 Ų132104.6 Ų104.662%0.61751%0.507SS*.G310 helixtrans-86.4-13.2-178.3-77.7-174.9-9.700116L549 H550 R554L549-Q552 PolarHBondContact O-N 2.69Å; H550-Q552 PolarHBondContact O-N 2.75Å; Q552-R554 PolarHBondContact O-N 2.81Å
553K33Very low35Very low148 Ų148107.4 Ų107.464%0.64352%0.523SS*.SBendtrans-74.480.6160-86.6-173.4176178.10108.1H550 L555H550-K553 PolarHBondContact O-N 2.84Å; K553-L555 VanDerWaalsContact C-N 3.33Å; K553-L555 PolarHBondContact O-N 3.01Å
554R30.7Very low35.7Very low139 Ų139110 Ų11053%0.52553%0.534SS..  trans-55.189.7176.6-71.8-179.8175.9166.2-0.6110.5Q552 F556 E1067Q552-R554 PolarHBondContact O-N 2.81Å; R554-F556 CarbonylContact O-C 3.32Å; R554-F556 PolarHBondContact O-N 3.24Å; R554-E1067 IonicContact CZ-OE2 2.73Å; R554-E1067 VanDerWaalsContact CZ-OE2 3.31Å; R554-E1067 IonicContact NH1-OE1 3.42Å; R554-E1067 IonicContact NH1-OE2 3.49Å; R554-E1067 PolarHBondContact NH1-OE2 3.32Å; R554-E1067 IonicContact NH2-OE2 2.97Å; R554-E1067 PolarHBondContact NH2-OE2 3.45Å
555L31.4Very low36.8Very low122 Ų122102.5 Ų102.564%0.63950%0.502SS*.SBendtrans-60.3-15.4-177.9-90150.8000113.9K553 E978K553-L555 VanDerWaalsContact C-N 3.33Å; K553-L555 PolarHBondContact O-N 3.01Å; L555-E978 WeakPolarHBondContact CD1-O 3.48Å; L555-E978 WeakPolarHBondContact CD2-O 3.4Å
556F27.2Very low38.2Very low106 Ų106102.2 Ų102.247%0.46548%0.484SS..SBendtrans-112109.9157.6-64.4-78.9000111R554 K558R554-F556 CarbonylContact O-C 3.32Å; R554-F556 PolarHBondContact O-N 3.24Å; F556-K558 PolarHBondContact O-N 3.18Å
557S27.9Very low39.5Very low78 Ų7897.7 Ų97.755%0.54547%0.468SS..  trans-54.5129.9147.8178.30000107.8R559 K560S557-R559 PolarHBondContact O-N 2.91Å; S557-K560 PolarHBondContact O-N 2.98Å; S557-K560 VanDerWaalsContact O-N 3.09Å
558K38.7Very low40.5Very low146 Ų146100.6 Ų100.664%0.63548%0.48SS*.THydrogen-bonded Turntrans-63.525.6-175.9-63.9175.1179.8169.30114.2F556 E1067F556-K558 PolarHBondContact O-N 3.18Å; K558-E1067 IonicContact NZ-OE1 2.65Å; K558-E1067 PolarHBondContact NZ-OE1 2.86Å
559R35.2Very low41.8Very low226 Ų226103.4 Ų103.485%0.85349%0.486SS*.THydrogen-bonded Turntrans-137.4-0.9179-61.7-173-179.3-174.31.1114.5S557S557-R559 PolarHBondContact O-N 2.91Å
560K33.3Very low43.2Very low179 Ų179103.2 Ų103.278%0.77849%0.485SS*.THydrogen-bonded Turntrans-117.3-8.9-178.3-93-168.5172.4-172.20115.8S557S557-K560 PolarHBondContact O-N 2.98Å; S557-K560 VanDerWaalsContact O-N 3.09Å
561G36.9Very low44.2Very low29 Ų29105 Ų10530%0.29950%0.498SS..  trans-82-12.4-177.700000115.8N563G561-N563 PolarHBondContact O-N 3.16Å
562N44.6Very low45.6Very low142 Ų142104.1 Ų104.176%0.75950%0.497SS*.THydrogen-bonded Turntrans-69.7-2.4-164-65.529.2000116.3
563N53.4Low46.8Very low125 Ų125102.6 Ų102.667%0.66849%0.493SS*.THydrogen-bonded Turntrans-1200.5-170.1-69.238.7000114.2G561G561-N563 PolarHBondContact O-N 3.16Å
564I58.5Low47.9Very low79 Ų7997.4 Ų97.441%0.40547%0.472SS..SBendtrans-112.8108.4175.3-58.6178.6000108.1R566 L581 L586I564-R566 PolarHBondContact O-N 2.9Å; I564-L581 HydrophobicContact CG2-CD1 4.48Å; I564-L586 HydrophobicContact CG2-CB 4.39Å
565P60.4Low49.3Very low1 Ų195.5 Ų95.51%0.00648%0.477CS..  trans-63.4132.6179.917.2-26.1000113.2E569 L570 W577 M589 W598P565-E569 WeakPolarHBondContact CA-OE2 3.38Å; P565-E569 HydrophobicContact CB-CB 4.45Å; P565-L570 HydrophobicContact CB-CD1 3.81Å; P565-L570 HydrophobicContact CB-CD2 3.88Å; P565-L570 HydrophobicContact CB-CG 3.76Å; P565-L570 HydrophobicContact CG-CD1 3.93Å; P565-L570 HydrophobicContact CG-CD2 3.9Å; P565-L570 HydrophobicContact CG-CG 4.16Å; P565-W577 PolarHBondContact O-NE1 2.95Å; P565-W577 VanDerWaalsContact O-NE1 3.15Å; P565-M589 HydrophobicContact CG-CB 4.44Å; P565-M589 HydrophobicContact CG-SD 4.22Å; P565-W598 HydrophobicContact CB-CH2 3.71Å; P565-W598 HydrophobicContact CB-CZ2 3.56Å; P565-W598 HydrophobicContact CB-CZ3 4.27Å; P565-W598 HydrophobicContact CG-CE3 4.34Å; P565-W598 HydrophobicContact CG-CH2 3.94Å; P565-W598 HydrophobicContact CG-CZ2 4.19Å; P565-W598 HydrophobicContact CG-CZ3 4.01Å
566R58.4Low51Low118 Ų11891.7 Ų91.745%0.44546%0.458SS..  trans-70.4157.1172.3-74.7-62.4-150.7-172.86.3110I564 N568 E569 E980I564-R566 PolarHBondContact O-N 2.9Å; R566-N568 VanDerWaalsContact C-N 3.27Å; R566-N568 PolarHBondContact O-N 3.36Å; R566-E569 HydrophobicContact CB-CG 4.28Å; R566-E569 PolarHBondContact N-OE2 3Å; R566-E569 WeakPolarHBondContact O-CA 3.45Å; R566-E569 WeakPolarHBondContact O-CB 3.45Å; R566-E569 PolarHBondContact O-N 3.18Å; R566-E980 IonicContact CZ-OE1 3.64Å; R566-E980 IonicContact CZ-OE2 3.17Å; R566-E980 IonicContact NH1-OE1 3.44Å; R566-E980 PolarHBondContact NH1-OE1 3.18Å; R566-E980 VanDerWaalsContact NH1-OE1 3.1Å; R566-E980 IonicContact NH1-OE2 2.71Å; R566-E980 PolarHBondContact NH1-OE2 2.75Å; R566-E980 IonicContact NH2-OE1 2.84Å; R566-E980 PolarHBondContact NH2-OE1 2.99Å
567I59Low53.4Low18 Ų1887.9 Ų87.99%0.09244%0.44CS..G310 helixtrans-55.7-38.3-176.3-166.5169.8000113.6E569 L570 D571 M572 I574 W577 F935I567-E569 VanDerWaalsContact C-N 3.26Å; I567-E569 PolarHBondContact O-N 2.85Å; I567-L570 PolarHBondContact O-N 3.11Å; I567-D571 PolarHBondContact O-N 3.08Å; I567-M572 WeakPolarHBondContact CD1-O 3.3Å; I567-M572 HydrophobicContact CG1-CG 4.22Å; I567-M572 WeakPolarHBondContact CG1-O 3.49Å; I567-I574 HydrophobicContact CD1-CB 4.19Å; I567-I574 HydrophobicContact CD1-CG1 3.59Å; I567-W577 HydrophobicContact CB-CD2 4.43Å; I567-W577 HydrophobicContact CB-CG 4.12Å; I567-W577 HydrophobicContact CD1-CB 3.97Å; I567-W577 HydrophobicContact CD1-CG 4.31Å; I567-W577 HydrophobicContact CG1-CB 4.08Å; I567-W577 HydrophobicContact CG1-CG 4.12Å; I567-F935 HydrophobicContact CG2-CD1 3.91Å
568N48.3Very low54.7Low118 Ų11886.2 Ų86.263%0.63143%0.427SS*.G310 helixtrans-71-17.4176.7-59.5-0.9000113.5R566 L570R566-N568 VanDerWaalsContact C-N 3.27Å; R566-N568 PolarHBondContact O-N 3.36Å; N568-L570 VanDerWaalsContact C-N 3.29Å
569E59.3Low56.1Low86 Ų8687.2 Ų87.240%0.40243%0.426SS..G310 helixtrans-87.2-3.2176-57.6175.3142.100111.9P565 R566 I567 W598P565-E569 WeakPolarHBondContact CA-OE2 3.38Å; P565-E569 HydrophobicContact CB-CB 4.45Å; R566-E569 HydrophobicContact CB-CG 4.28Å; R566-E569 PolarHBondContact N-OE2 3Å; R566-E569 WeakPolarHBondContact O-CA 3.45Å; R566-E569 WeakPolarHBondContact O-CB 3.45Å; R566-E569 PolarHBondContact O-N 3.18Å; I567-E569 VanDerWaalsContact C-N 3.26Å; I567-E569 PolarHBondContact O-N 2.85Å; E569-W598 PolarHBondContact O-NE1 3.37Å
570L62.5Low57.8Low27 Ų2777.2 Ų77.214%0.14139%0.39CS..THydrogen-bonded Turntrans-126.6-7.9-171.2-69.2168.6000114.5P565 I567 N568 M572 L586 M589 W598P565-L570 HydrophobicContact CB-CD1 3.81Å; P565-L570 HydrophobicContact CB-CD2 3.88Å; P565-L570 HydrophobicContact CB-CG 3.76Å; P565-L570 HydrophobicContact CG-CD1 3.93Å; P565-L570 HydrophobicContact CG-CD2 3.9Å; P565-L570 HydrophobicContact CG-CG 4.16Å; I567-L570 PolarHBondContact O-N 3.11Å; N568-L570 VanDerWaalsContact C-N 3.29Å; L570-M572 HydrophobicContact CB-CE 3.94Å; L570-M572 HydrophobicContact CB-CG 3.78Å; L570-M572 HydrophobicContact CB-SD 4.03Å; L570-M572 HydrophobicContact CD1-CE 4.27Å; L570-M572 HydrophobicContact CD1-SD 3.92Å; L570-M572 PolarHBondContact O-N 2.96Å; L570-L586 HydrophobicContact CD1-CD2 3.91Å; L570-M589 HydrophobicContact CD2-SD 3.77Å; L570-W598 HydrophobicContact CD2-CD2 4.35Å; L570-W598 HydrophobicContact CD2-CG 4.07Å
571D59.2Low59.5Low133 Ų13371.1 Ų71.171%0.71137%0.365SS*.THydrogen-bonded Turntrans46.355.8-178.3-16428.4000113.9I567I567-D571 PolarHBondContact O-N 3.08Å
572M66.4Low60.7Low34 Ų3476.3 Ų76.317%0.16738%0.38CS..  trans-136.9155.7-176.359.5172.652.100112.9I567 L570 L576 W577 L580I567-M572 WeakPolarHBondContact CD1-O 3.3Å; I567-M572 HydrophobicContact CG1-CG 4.22Å; I567-M572 WeakPolarHBondContact CG1-O 3.49Å; L570-M572 HydrophobicContact CB-CE 3.94Å; L570-M572 HydrophobicContact CB-CG 3.78Å; L570-M572 HydrophobicContact CB-SD 4.03Å; L570-M572 HydrophobicContact CD1-CE 4.27Å; L570-M572 HydrophobicContact CD1-SD 3.92Å; L570-M572 PolarHBondContact O-N 2.96Å; M572-L576 HydrophobicContact CB-CD2 4.22Å; M572-L576 HydrophobicContact CE-CD2 4.46Å; M572-L576 HydrophobicContact SD-CG 4.46Å; M572-W577 HydrophobicContact CG-CB 4.16Å; M572-W577 HydrophobicContact SD-CB 3.77Å; M572-W577 HydrophobicContact SD-CG 4.22Å; M572-L580 HydrophobicContact CE-CD1 3.47Å; M572-L580 VanDerWaalsContact CE-CD1 3.47Å; M572-L580 HydrophobicContact SD-CD1 3.76Å
573N57.4Low61.9Low100 Ų10072.4 Ų72.454%0.53536%0.363SS..  trans-76.3155.4177.361.368.6000113P575 L576 W577N573-P575 WeakPolarHBondContact OD1-CD 3.32Å; N573-L576 PolarHBondContact O-N 2.97Å; N573-L576 VanDerWaalsContact O-N 3.1Å; N573-L576 WeakPolarHBondContact OD1-CB 3.29Å; N573-L576 PolarHBondContact OD1-N 2.83Å; N573-W577 PolarHBondContact O-N 2.88Å
574I56.8Low62.5Low39 Ų3967.9 Ų67.920%0.235%0.346CS..Hα-helixtrans-56.2-47.4-175.8-54.9165.8000112I567 L576 W577 T578 F935 V946I567-I574 HydrophobicContact CD1-CB 4.19Å; I567-I574 HydrophobicContact CD1-CG1 3.59Å; I574-L576 VanDerWaalsContact C-N 3.27Å; I574-L576 PolarHBondContact O-N 3.25Å; I574-W577 PolarHBondContact O-N 2.98Å; I574-W577 VanDerWaalsContact O-N 3.15Å; I574-T578 WeakPolarHBondContact O-CB 3.21Å; I574-T578 PolarHBondContact O-N 2.94Å; I574-T578 PolarHBondContact O-OG1 2.79Å; I574-T578 VanDerWaalsContact O-OG1 3.11Å; I574-F935 HydrophobicContact CD1-CD2 3.47Å; I574-F935 VanDerWaalsContact CD1-CD2 3.47Å; I574-F935 HydrophobicContact CD1-CE2 3.85Å; I574-F935 HydrophobicContact CD1-CG 4.2Å; I574-F935 HydrophobicContact CG1-CD2 4.25Å; I574-V946 WeakPolarHBondContact CD1-O 3.45Å
575P60.4Low62.9Low99 Ų9967.3 Ų67.364%0.64334%0.342SS*.Hα-helixtrans-57.7-35.3177.5-26.936.3000114.2N573 R579N573-P575 WeakPolarHBondContact OD1-CD 3.32Å; P575-R579 VanDerWaalsContact O-CB 3.31Å; P575-R579 WeakPolarHBondContact O-CB 3.37Å; P575-R579 PolarHBondContact O-N 2.67Å
576L66.8Low63.3Low43 Ų4367.4 Ų67.423%0.22534%0.342CS..Hα-helixtrans-72.9-46.7174.6-179.157.1000111.6M572 N573 I574 R579 L580M572-L576 HydrophobicContact CB-CD2 4.22Å; M572-L576 HydrophobicContact CE-CD2 4.46Å; M572-L576 HydrophobicContact SD-CG 4.46Å; N573-L576 PolarHBondContact O-N 2.97Å; N573-L576 VanDerWaalsContact O-N 3.1Å; N573-L576 WeakPolarHBondContact OD1-CB 3.29Å; N573-L576 PolarHBondContact OD1-N 2.83Å; I574-L576 VanDerWaalsContact C-N 3.27Å; I574-L576 PolarHBondContact O-N 3.25Å; L576-R579 PolarHBondContact O-N 3.39Å; L576-L580 HydrophobicContact CD1-CD1 4.17Å; L576-L580 HydrophobicContact CD1-CG 4.13Å; L576-L580 HydrophobicContact CG-CD1 4.08Å; L576-L580 HydrophobicContact CG-CG 4.46Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.19Å
577W77.7Confident63.4Low26 Ų2665.9 Ų65.910%0.09835%0.35CS..Hα-helixtrans-59.6-48.9178.8-174.684.4000111.6P565 I567 M572 N573 I574 R579 L580 L581 L586P565-W577 PolarHBondContact O-NE1 2.95Å; P565-W577 VanDerWaalsContact O-NE1 3.15Å; I567-W577 HydrophobicContact CB-CD2 4.43Å; I567-W577 HydrophobicContact CB-CG 4.12Å; I567-W577 HydrophobicContact CD1-CB 3.97Å; I567-W577 HydrophobicContact CD1-CG 4.31Å; I567-W577 HydrophobicContact CG1-CB 4.08Å; I567-W577 HydrophobicContact CG1-CG 4.12Å; M572-W577 HydrophobicContact CG-CB 4.16Å; M572-W577 HydrophobicContact SD-CB 3.77Å; M572-W577 HydrophobicContact SD-CG 4.22Å; N573-W577 PolarHBondContact O-N 2.88Å; I574-W577 PolarHBondContact O-N 2.98Å; I574-W577 VanDerWaalsContact O-N 3.15Å; W577-R579 VanDerWaalsContact C-N 3.31Å; W577-R579 PolarHBondContact O-N 2.99Å; W577-L580 PolarHBondContact O-N 3.36Å; W577-L580 VanDerWaalsContact O-N 3.16Å; W577-L581 HydrophobicContact CH2-CD2 3.83Å; W577-L581 HydrophobicContact CZ3-CD2 3.84Å; W577-L581 WeakPolarHBondContact O-CB 3.48Å; W577-L581 PolarHBondContact O-N 2.71Å; W577-L586 HydrophobicContact CD2-CD1 4.31Å; W577-L586 HydrophobicContact CG-CD1 4.31Å; W577-L586 HydrophobicContact CZ2-CD1 4.31Å
578T56.4Low63.4Low43 Ų4371 Ų7126%0.26437%0.371SS..Hα-helixtrans-60.5-37.3175.1-57.80000112.1I574 K582I574-T578 WeakPolarHBondContact O-CB 3.21Å; I574-T578 PolarHBondContact O-N 2.94Å; I574-T578 PolarHBondContact O-OG1 2.79Å; I574-T578 VanDerWaalsContact O-OG1 3.11Å; T578-K582 HydrophobicContact CG2-CD 4.08Å; T578-K582 WeakPolarHBondContact O-CB 3.49Å; T578-K582 WeakPolarHBondContact O-CG 3.35Å; T578-K582 PolarHBondContact O-N 3.05Å
579R68.2Low64Low167 Ų16766.8 Ų66.863%0.6335%0.348SS*.Hα-helixtrans-66.9-42.4174.8-167.9-17573.5145.94111.8P575 L576 W577 S583P575-R579 VanDerWaalsContact O-CB 3.31Å; P575-R579 WeakPolarHBondContact O-CB 3.37Å; P575-R579 PolarHBondContact O-N 2.67Å; L576-R579 PolarHBondContact O-N 3.39Å; W577-R579 VanDerWaalsContact C-N 3.31Å; W577-R579 PolarHBondContact O-N 2.99Å; R579-S583 WeakPolarHBondContact O-CB 3.13Å; R579-S583 PolarHBondContact O-N 3.35Å; R579-S583 PolarHBondContact O-OG 2.75Å; R579-S583 VanDerWaalsContact O-OG 3.14Å
580L70.5Confident63.8Low16 Ų1667.8 Ų67.88%0.08436%0.357CS..Hα-helixtrans-66.4-38.9177.6-67.8172.8000111.5M572 L576 W577 S583 G584 Q585 L586 M589M572-L580 HydrophobicContact CE-CD1 3.47Å; M572-L580 VanDerWaalsContact CE-CD1 3.47Å; M572-L580 HydrophobicContact SD-CD1 3.76Å; L576-L580 HydrophobicContact CD1-CD1 4.17Å; L576-L580 HydrophobicContact CD1-CG 4.13Å; L576-L580 HydrophobicContact CG-CD1 4.08Å; L576-L580 HydrophobicContact CG-CG 4.46Å; L576-L580 WeakPolarHBondContact O-CG 3.47Å; L576-L580 PolarHBondContact O-N 3.19Å; W577-L580 PolarHBondContact O-N 3.36Å; W577-L580 VanDerWaalsContact O-N 3.16Å; L580-S583 WeakPolarHBondContact CA-OG 3.44Å; L580-S583 PolarHBondContact O-N 2.87Å; L580-S583 PolarHBondContact O-OG 2.98Å; L580-G584 PolarHBondContact O-N 2.85Å; L580-Q585 HydrophobicContact CD2-CB 4.18Å; L580-Q585 PolarHBondContact O-N 3.35Å; L580-L586 HydrophobicContact CB-CD1 4.43Å; L580-L586 HydrophobicContact CB-CD2 3.7Å; L580-L586 HydrophobicContact CB-CG 3.79Å; L580-L586 HydrophobicContact CD1-CD2 4.12Å; L580-M589 HydrophobicContact CD1-CE 4.39Å
581L67.4Low63.2Low50 Ų5072 Ų7226%0.26237%0.37SS..Hα-helixtrans-60.3-54.7173.3-173.166.1000111.2I564 W577 S583 G584 L586I564-L581 HydrophobicContact CG2-CD1 4.48Å; W577-L581 HydrophobicContact CH2-CD2 3.83Å; W577-L581 HydrophobicContact CZ3-CD2 3.84Å; W577-L581 WeakPolarHBondContact O-CB 3.48Å; W577-L581 PolarHBondContact O-N 2.71Å; L581-S583 PolarHBondContact O-N 2.76Å; L581-G584 PolarHBondContact O-N 3.41Å; L581-L586 HydrophobicContact CB-CD1 3.87Å; L581-L586 HydrophobicContact CD1-CD1 4.09Å
582K62.7Low62.4Low138 Ų13868.5 Ų68.560%0.636%0.356SS*.Hα-helixtrans-64.6-23.6179.8-69.1178.4-167.8-99.10114.1T578 G584 E981T578-K582 HydrophobicContact CG2-CD 4.08Å; T578-K582 WeakPolarHBondContact O-CB 3.49Å; T578-K582 WeakPolarHBondContact O-CG 3.35Å; T578-K582 PolarHBondContact O-N 3.05Å; K582-G584 VanDerWaalsContact C-N 3.34Å; K582-E981 WeakPolarHBondContact CE-OE1 3.5Å; K582-E981 VanDerWaalsContact CE-OE2 3.28Å; K582-E981 WeakPolarHBondContact CE-OE2 3.28Å; K582-E981 IonicContact NZ-OE1 3.58Å; K582-E981 IonicContact NZ-OE2 2.78Å; K582-E981 PolarHBondContact NZ-OE2 3.24Å
583S71Confident61.2Low60 Ų6074.1 Ų74.142%0.4239%0.392SS..THydrogen-bonded Turntrans-84-1.217269.60000114.8R579 L580 L581 Q585R579-S583 WeakPolarHBondContact O-CB 3.13Å; R579-S583 PolarHBondContact O-N 3.35Å; R579-S583 PolarHBondContact O-OG 2.75Å; R579-S583 VanDerWaalsContact O-OG 3.14Å; L580-S583 WeakPolarHBondContact CA-OG 3.44Å; L580-S583 PolarHBondContact O-N 2.87Å; L580-S583 PolarHBondContact O-OG 2.98Å; L581-S583 PolarHBondContact O-N 2.76Å; S583-Q585 PolarHBondContact O-N 3.37Å; S583-Q585 WeakPolarHBondContact OG-CB 3.47Å; S583-Q585 VanDerWaalsContact OG-CG 3.28Å; S583-Q585 WeakPolarHBondContact OG-CG 3.41Å
584G64.6Low60.3Low30 Ų3076.4 Ų76.431%0.30940%0.403SS..THydrogen-bonded Turntrans62.326.6-175.200000113.8L580 L581 K582 S587L580-G584 PolarHBondContact O-N 2.85Å; L581-G584 PolarHBondContact O-N 3.41Å; K582-G584 VanDerWaalsContact C-N 3.34Å; G584-S587 PolarHBondContact O-OG 3.32Å
585Q68.3Low59.2Low68 Ų6878.1 Ų78.132%0.31843%0.43SS..  trans-89.1-30.4-179.2-74.4-176.1-10.600112.9L580 S583 S587 K588L580-Q585 HydrophobicContact CD2-CB 4.18Å; L580-Q585 PolarHBondContact O-N 3.35Å; S583-Q585 PolarHBondContact O-N 3.37Å; S583-Q585 WeakPolarHBondContact OG-CB 3.47Å; S583-Q585 VanDerWaalsContact OG-CG 3.28Å; S583-Q585 WeakPolarHBondContact OG-CG 3.41Å; Q585-S587 VanDerWaalsContact C-N 3.27Å; Q585-S587 PolarHBondContact O-N 3.01Å; Q585-K588 WeakPolarHBondContact O-CB 3.03Å; Q585-K588 PolarHBondContact O-N 3.11Å
586L67Low58.2Low2 Ų274.8 Ų74.81%0.0141%0.414CS..G310 helixtrans-63.3-31.3178.2-63.9-178.4000113I564 L570 W577 L580 L581 K588 M589I564-L586 HydrophobicContact CG2-CB 4.39Å; L570-L586 HydrophobicContact CD1-CD2 3.91Å; W577-L586 HydrophobicContact CD2-CD1 4.31Å; W577-L586 HydrophobicContact CG-CD1 4.31Å; W577-L586 HydrophobicContact CZ2-CD1 4.31Å; L580-L586 HydrophobicContact CB-CD1 4.43Å; L580-L586 HydrophobicContact CB-CD2 3.7Å; L580-L586 HydrophobicContact CB-CG 3.79Å; L580-L586 HydrophobicContact CD1-CD2 4.12Å; L581-L586 HydrophobicContact CB-CD1 3.87Å; L581-L586 HydrophobicContact CD1-CD1 4.09Å; L586-K588 PolarHBondContact O-N 3.49Å; L586-M589 HydrophobicContact CD2-CE 4.03Å; L586-M589 HydrophobicContact CD2-SD 3.76Å; L586-M589 PolarHBondContact O-N 2.93Å
587S61.5Low57.2Low86 Ų8676.5 Ų76.560%0.60143%0.43SS*.G310 helixtrans-73.9-4.2175.1550000114.3G584 Q585G584-S587 PolarHBondContact O-OG 3.32Å; Q585-S587 VanDerWaalsContact C-N 3.27Å; Q585-S587 PolarHBondContact O-N 3.01Å
588K59.4Low56Low126 Ų12678.6 Ų78.655%0.54844%0.438SS..G310 helixtrans-104.71176-57.5-179.8-176.2178.40112.9Q585 L586 L600Q585-K588 WeakPolarHBondContact O-CB 3.03Å; Q585-K588 PolarHBondContact O-N 3.11Å; L586-K588 PolarHBondContact O-N 3.49Å; K588-L600 HydrophobicContact CB-CD1 4.16Å
589M60.4Low55.7Low30 Ų3080 Ų8015%0.14845%0.446CS..EExtended strand (participates in β ladder)trans-84.3133.8176.8-67.5-176.7167.100110.6P565 L570 L580 L586 W598 T599 L600P565-M589 HydrophobicContact CG-CB 4.44Å; P565-M589 HydrophobicContact CG-SD 4.22Å; L570-M589 HydrophobicContact CD2-SD 3.77Å; L580-M589 HydrophobicContact CD1-CE 4.39Å; L586-M589 HydrophobicContact CD2-CE 4.03Å; L586-M589 HydrophobicContact CD2-SD 3.76Å; L586-M589 PolarHBondContact O-N 2.93Å; M589-W598 HydrophobicContact CB-CE3 3.92Å; M589-W598 HydrophobicContact CB-CZ3 4.37Å; M589-T599 WeakPolarHBondContact CA-O 3.2Å; M589-L600 HydrophobicContact CG-CD1 4.08Å
590N54.5Low54.8Low107 Ų10775.3 Ų75.357%0.57243%0.433SS*.EExtended strand (participates in β ladder)trans-122.3148.4171.7-103.9-34.5000110T599N590-T599 PolarHBondContact N-O 3.33Å; N590-T599 VanDerWaalsContact N-O 3.13Å; N590-T599 PolarHBondContact O-N 3.24Å
591R50.9Low53.6Low114 Ų11480 Ų8043%0.4346%0.458SS..EExtended strand (participates in β ladder)trans-100.9128.7177.4-161.9177.2-169.6-160.4-0.1109.9G596 W598R591-G596 PolarHBondContact NE-O 3.48Å; R591-G596 PolarHBondContact NH2-O 3.34Å; R591-G596 VanDerWaalsContact NH2-O 3.13Å; R591-W598 HydrophobicContact CB-CD2 4.21Å; R591-W598 HydrophobicContact CB-CE3 3.91Å; R591-W598 HydrophobicContact CB-CH2 4.04Å; R591-W598 HydrophobicContact CB-CZ2 4.32Å; R591-W598 HydrophobicContact CB-CZ3 3.84Å; R591-W598 HydrophobicContact CG-CD2 4.38Å; R591-W598 HydrophobicContact CG-CZ2 4.46Å
592S41.3Very low52.2Low60 Ų6085 Ų8542%0.4248%0.48SS..  trans-70.3132.4175-178.60000110.8I594 S597S592-I594 VanDerWaalsContact CB-O 3.28Å; S592-I594 WeakPolarHBondContact CB-O 3.39Å; S592-I594 PolarHBondContact O-N 2.65Å; S592-I594 PolarHBondContact OG-N 3.1Å; S592-I594 PolarHBondContact OG-O 2.87Å; S592-S597 PolarHBondContact N-O 2.74Å
593V41.8Very low50.8Low152 Ų15284.2 Ų84.292%0.92149%0.492SS*.THydrogen-bonded Turntrans-62.3-22.8171.8-178.40000111.3
594I38Very low48.8Very low148 Ų14891.1 Ų91.176%0.75951%0.514SS*.THydrogen-bonded Turntrans-113.9114.2176.2-55.1173.7000108.1S592S592-I594 VanDerWaalsContact CB-O 3.28Å; S592-I594 WeakPolarHBondContact CB-O 3.39Å; S592-I594 PolarHBondContact O-N 2.65Å; S592-I594 PolarHBondContact OG-N 3.1Å; S592-I594 PolarHBondContact OG-O 2.87Å
595G35.4Very low47.1Very low75 Ų7597.9 Ų97.977%0.77354%0.538SS*.THydrogen-bonded Turntrans96.2-317400000116.7S597G595-S597 PolarHBondContact O-N 3.49Å
596G39.1Very low45.3Very low30 Ų30104.7 Ų104.731%0.30957%0.567SS.*  trans67.9-6.6163.900000118R591R591-G596 PolarHBondContact NE-O 3.48Å; R591-G596 PolarHBondContact NH2-O 3.34Å; R591-G596 VanDerWaalsContact NH2-O 3.13Å
597S44.3Very low43.4Very low78 Ų78108.6 Ų108.655%0.54561%0.608SS.*  trans-80.5160.2179.1-168.90000113.1S592 G595S592-S597 PolarHBondContact N-O 2.74Å; G595-S597 PolarHBondContact O-N 3.49Å
598W52.3Low41.9Very low71 Ų71110.2 Ų110.227%0.26962%0.619SS.*EExtended strand (participates in β ladder)trans-97.6140.5177.5-66.9100.3000111.4P565 E569 L570 M589 R591P565-W598 HydrophobicContact CB-CH2 3.71Å; P565-W598 HydrophobicContact CB-CZ2 3.56Å; P565-W598 HydrophobicContact CB-CZ3 4.27Å; P565-W598 HydrophobicContact CG-CE3 4.34Å; P565-W598 HydrophobicContact CG-CH2 3.94Å; P565-W598 HydrophobicContact CG-CZ2 4.19Å; P565-W598 HydrophobicContact CG-CZ3 4.01Å; E569-W598 PolarHBondContact O-NE1 3.37Å; L570-W598 HydrophobicContact CD2-CD2 4.35Å; L570-W598 HydrophobicContact CD2-CG 4.07Å; M589-W598 HydrophobicContact CB-CE3 3.92Å; M589-W598 HydrophobicContact CB-CZ3 4.37Å; R591-W598 HydrophobicContact CB-CD2 4.21Å; R591-W598 HydrophobicContact CB-CE3 3.91Å; R591-W598 HydrophobicContact CB-CH2 4.04Å; R591-W598 HydrophobicContact CB-CZ2 4.32Å; R591-W598 HydrophobicContact CB-CZ3 3.84Å; R591-W598 HydrophobicContact CG-CD2 4.38Å; R591-W598 HydrophobicContact CG-CZ2 4.46Å
599T51.7Low40.3Very low72 Ų72110.5 Ų110.544%0.44264%0.637SS.*EExtended strand (participates in β ladder)trans-127.3147173.356.50000111.7M589 N590M589-T599 WeakPolarHBondContact CA-O 3.2Å; N590-T599 PolarHBondContact N-O 3.33Å; N590-T599 VanDerWaalsContact N-O 3.13Å; N590-T599 PolarHBondContact O-N 3.24Å
600L49.5Very low38.7Very low68 Ų68112.1 Ų112.136%0.35666%0.661SS.*EExtended strand (participates in β ladder)trans-105.4115.4179-173.674000109.6K588 M589 H602K588-L600 HydrophobicContact CB-CD1 4.16Å; M589-L600 HydrophobicContact CG-CD1 4.08Å; L600-H602 PolarHBondContact O-N 2.97Å
601N43.9Very low37.5Very low114 Ų114112 Ų11261%0.6167%0.669SS**  trans-78.6108.1176.2-84.4-13.1000111.1
602H39.5Very low36.7Very low156 Ų156112.5 Ų112.572%0.72268%0.684SS**  trans-82.2123160.5-88.4-97.6000110.2L600L600-H602 PolarHBondContact O-N 2.97Å
603S32.3Very low36.2Very low121 Ų121116.8 Ų116.885%0.84670%0.7SS**  trans-62.7141.2168.1-57.70000110.3E605S603-E605 PolarHBondContact O-N 3.16Å
604K29.1Very low35.8Very low205 Ų205117 Ų11789%0.89169%0.693SS**  trans-70.5108-174-66.8178.4178178.90112.6
605E29.1Very low35.5Very low172 Ų172117.2 Ų117.280%0.80469%0.69SS**SBendtrans-134.1128.9147.2-71.2-166.4150.900108.9S603S603-E605 PolarHBondContact O-N 3.16Å
606F31.3Very low35.2Very low212 Ų212115.8 Ų115.893%0.9368%0.675SS**SBendtrans60.3140.9-173.3-64.5-86.4000116.6
607G25.9Very low34.8Very low84 Ų84122.2 Ų122.287%0.86670%0.701SS**  trans-97.7111.4-163.500000114.9
608S30.1Very low33.9Very low119 Ų119127.9 Ų127.983%0.83272%0.719SS**  trans-158.7129.9143.1-170.20000110.3G610S608-G610 VanDerWaalsContact C-N 3.3Å; S608-G610 PolarHBondContact O-N 2.78Å
609S26.6Very low32.7Very low132 Ų132128 Ų12892%0.92374%0.742SS**  trans-81.468.2-173.9-64.10000112.7
610G26.7Very low31.6Very low64 Ų64135.7 Ų135.766%0.6676%0.763SS**  trans-90.692.9175.300000113.1S608 V612S608-G610 VanDerWaalsContact C-N 3.3Å; S608-G610 PolarHBondContact O-N 2.78Å; G610-V612 PolarHBondContact O-N 3.25Å
611S28.7Very low30.4Very low106 Ų106142.6 Ų142.674%0.74179%0.79SS**  trans-79.2104.2170.2-170.40000110.3M613S611-M613 PolarHBondContact O-N 2.77Å
612V33.3Very low29.6Very low124 Ų124145.4 Ų145.475%0.75280%0.8SS**  trans-85105.7179.5-176.40000109.8G610G610-V612 PolarHBondContact O-N 3.25Å
613M31Very low29Very low150 Ų150146.1 Ų146.174%0.73980%0.804SS**  trans-77.9121.2170.9-67.2-167.7-70.400110.4S611 H615S611-M613 PolarHBondContact O-N 2.77Å; M613-H615 PolarHBondContact O-N 3.03Å
614M34.3Very low28.7Very low157 Ų157148.8 Ų148.877%0.77381%0.808SS**  trans-83.190.4172.4-71.8-67.1-64.200109.8
615H32.4Very low28.6Very low152 Ų152145.7 Ų145.770%0.70480%0.801SS**  trans-84.4123.2164.2-97.7-82.7000110M613 L617M613-H615 PolarHBondContact O-N 3.03Å; H615-L617 PolarHBondContact O-N 3.12Å
616G29.1Very low28.6Very low45 Ų45143.7 Ų143.746%0.46480%0.8SS.*  trans-66.1120.9161.700000109.7
617L29.4Very low28.3Very low164 Ų164137.9 Ų137.986%0.85979%0.786SS**  trans-137.9141.8167.5-84.8175.9000109.1H615H615-L617 PolarHBondContact O-N 3.12Å
618E26.5Very low28.4Very low198 Ų198141.7 Ų141.793%0.92579%0.786SS**  trans-77.3139.1-169.2-60.7176.1102.900113.4
619G26.4Very low28.4Very low72 Ų72142.1 Ų142.174%0.74279%0.789SS**  trans95.5159.8149.500000118.3
620R28.1Very low28.6Very low234 Ų234139.7 Ų139.788%0.88378%0.784SS**  trans54.197.6170.4-68.6-176.7172.6169.5-0.1117.5Q622R620-Q622 PolarHBondContact O-N 3.21Å
621F24Very low28.8Very low213 Ų213142.5 Ų142.593%0.93479%0.794SS**  trans-56.1122.6142.9-100-92.4000110.4
622Q29Very low29Very low173 Ų173143.2 Ų143.281%0.80880%0.796SS**  trans-128.3142.5150-80.2-167.5-2800109.2R620R620-Q622 PolarHBondContact O-N 3.21Å
623Q25.6Very low28.9Very low172 Ų172143.7 Ų143.780%0.80480%0.799SS**  trans-81.1130.9178.2-65.9175-17.300109.9
624L27.1Very low28.9Very low177 Ų177141.1 Ų141.193%0.92780%0.796SS**  trans-126.298.3152.5-75.2178.4000109.2
625N25.8Very low28.8Very low140 Ų140140 Ų14075%0.74979%0.793SS**  trans-79.6156.3162.6-112.60.3000108.8
626T28.6Very low28.8Very low129 Ų129140.8 Ų140.879%0.79180%0.797SS**  trans62155.4155.250.20000118.7
627S26.5Very low29Very low90 Ų90142.8 Ų142.863%0.62980%0.804SS**  cis-176.9148.7-31.753.60000109.9
628L26.8Very low29.1Very low164 Ų164141.9 Ų141.986%0.85980%0.799SS**  trans69.3145.8152.7-71.4160.1000121.3
629S30.2Very low29.3Very low128 Ų128138.9 Ų138.990%0.89579%0.789SS**  trans94.9136.2156.977.40000119.2
630G30.7Very low29.5Very low81 Ų81140.7 Ų140.784%0.83579%0.785SS**  trans140.585.6-17900000113.9
631S31.2Very low29.8Very low124 Ų124136.3 Ų136.387%0.86778%0.78SS**  trans-79170.2-170.739.90000116.6
632P33.6Very low30.4Very low121 Ų121132.7 Ų132.779%0.78677%0.77SS**  trans-115.5170.6-159.242.9-34.6000117.4
633V31.6Very low30.7Very low133 Ų133131.3 Ų131.381%0.80677%0.767SS**  trans-151.7110.6165.8178.50000105
634S29.5Very low31.2Very low96 Ų96128.9 Ų128.967%0.67176%0.759SS**  86.6100.651.677.40000115.2
635D33.3Very low31.4Very low135 Ų135125.7 Ų125.772%0.72274%0.743SS**  trans-176.9125.6140.4-92.1-19.9000108.9
636Q31.7Very low31.7Very low168 Ų168128.6 Ų128.679%0.78575%0.745SS**  70.5132.980.2-69.4-169.982.100113.8
637S32.3Very low31.9Very low87 Ų87127.3 Ų127.361%0.60874%0.742SS**  cis-171.8-178.4-2.454.60000111.6
638L31.9Very low32.1Very low145 Ų145127.5 Ų127.576%0.75974%0.743SS**  trans69.9140.1158.6-64.3162.2000118.1
639L32Very low32.5Very low135 Ų135125.7 Ų125.771%0.70774%0.739SS**  cis-134.4149.3-11.5-67.8106.9000106.6
640T30.1Very low32.4Very low109 Ų109124.7 Ų124.767%0.66973%0.732SS**  cis80.3151.839.376.90000116.6
641D34.9Very low32.7Very low143 Ų143126.1 Ų126.177%0.76573%0.726SS**  trans81.4130.9171.6-41.58.6000115
642D35Very low32.7Very low136 Ų136128.4 Ų128.473%0.72772%0.723SS**  cis-160.5-175.4-23.2-151.442.5000105.8
643I35.8Very low32.7Very low145 Ų145130.9 Ų130.974%0.74472%0.724SS**  cis-146.8147.718.2-49.4166.2000110.7
644N35.4Very low32.8Very low120 Ų120129 Ų12964%0.64272%0.722SS**  trans-30.2176151.5-73.428.6000119.5
645D31.8Very low32.8Very low111 Ų111129.2 Ų129.259%0.59473%0.73SS**  cis-164.8-174.55.6-129.4-41.2000114.2
646Y33.6Very low32.7Very low200 Ų200126.8 Ų126.878%0.78473%0.729SS**  trans75.8118164.4-56-72.6000117.5
647S31.3Very low32.7Very low103 Ų103125.9 Ų125.972%0.7274%0.735SS**  cis88.3146.838.293.60000114
648S32.2Very low32.5Very low94 Ų94124.9 Ų124.966%0.65774%0.739SS**  cis-164.7174.37.249.80000112.8
649T34Very low32.4Very low125 Ų125127 Ų12777%0.76775%0.749SS**  trans68.3143.5169.766.30000118.1
650S27.5Very low32.3Very low108 Ų108123.9 Ų123.976%0.75575%0.749SS**  cis70.5155.4-14.788.20000121
651P37.4Very low32.1Very low110 Ų110124.2 Ų124.271%0.71476%0.756SS**  cis-139.5-177.4-8.943.2-26.5000115.9
652Q32.1Very low31.7Very low172 Ų172122.4 Ų122.480%0.80475%0.754SS**  trans-179.6155.5132.2-102.5172.638.500116.8
653H33.2Very low31.3Very low173 Ų173125.5 Ų125.580%0.80176%0.762SS**  trans72.6122.2167.8-75.9-73.6000123.1
654A32.7Very low30.9Very low93 Ų93123.6 Ų123.677%0.76976%0.761SS**  trans51.7121.7159.900000119.3
655A30.9Very low30.5Very low102 Ų102122.5 Ų122.584%0.84376%0.761SS**  cis69.4123.341.300000114.3
656A30.8Very low30.4Very low84 Ų84124.7 Ų124.769%0.69477%0.772SS**  cis-158.9163.7-6.800000112
657T31.5Very low30.2Very low149 Ų149122.5 Ų122.591%0.91476%0.764SS**  trans55.3122.616854.50000119.1
658G29Very low30.1Very low66 Ų66122.5 Ų122.568%0.6876%0.756SS**  cis158.4145.6-10.700000113.9
659I30.1Very low30Very low189 Ų189123.8 Ų123.897%0.96976%0.759SS**  trans67.6126.8166.7-44.7167.7000115.2
660G29Very low29.6Very low69 Ų69121.5 Ų121.571%0.71175%0.753SS**  cis-174.4158.2-2.500000114
661S25.1Very low29.8Very low117 Ų117122.4 Ų122.482%0.81876%0.757SS**  trans-39.6143.6171.751.10000118.7
662S28.2Very low29.3Very low105 Ų105121.2 Ų121.273%0.73475%0.747SS**  168.1119.7100.3630000116
663F25.7Very low29Very low201 Ų201119.7 Ų119.788%0.88274%0.743SS**  trans55.7139.7143.2-74.9-88.2000125.4
664S27Very low28.8Very low104 Ų104116.3 Ų116.373%0.72773%0.73SS**  trans71100.7151.1-57.80000121.6
665P26.5Very low28.3Very low98 Ų98113.6 Ų113.664%0.63670%0.701SS**  trans-113.6134.9162.736.5-24.8000113.7
666D30Very low28.1Very low157 Ų157111.3 Ų111.384%0.8467%0.671SS**  trans-119.197.7172-82.7-51.4000112.2
667Y30.2Very low28.1Very low153 Ų153111.7 Ų111.760%0.666%0.661SS**  12.3154.7127-53.5-61.9000120.2K277K277-Y667 VanDerWaalsContact NZ-CE1 3.28Å
668D29.1Very low28Very low104 Ų104107.8 Ų107.856%0.55664%0.638SS**  cis-166.3150.2-6.4-102.9-28.2000105.8K277K277-D668 IonicContact NZ-OD2 2.76Å; K277-D668 PolarHBondContact NZ-OD2 2.62Å
669V29.7Very low28.1Very low120 Ų120111.7 Ų111.773%0.72764%0.643SS**  cis-161.2167.4-15.9820000107.5
670A25.3Very low28.1Very low78 Ų78106.8 Ų106.865%0.64563%0.625SS**  trans-135.2144.2175.800000113
671P31.5Very low28.1Very low127 Ų127110.7 Ų110.783%0.82563%0.63SS**  trans-78163.6179.132.1-35000113.6
672V27.8Very low28.3Very low85 Ų85109.1 Ų109.152%0.51562%0.619SS.*  trans-117.7122.2-155.2161.70000114.3I362I362-V672 WeakPolarHBondContact CD1-O 3.39Å
673I25.8Very low28.4Very low139 Ų139115.3 Ų115.371%0.71363%0.626SS**  37.8149.1129.7-32.7170.5000120.6
674I28.6Very low28.4Very low103 Ų103115.6 Ų115.653%0.52863%0.627SS.*  trans122.3142.8146.9-60.9173.6000114.3
675E23.2Very low29Very low36 Ų36116.1 Ų116.117%0.16863%0.628CS.*  trans-168.4149.1-175.9-157.4-169.5-15400111R186 Y189R186-E675 VanDerWaalsContact CA-OE2 3.3Å; R186-E675 WeakPolarHBondContact CA-OE2 3.3Å; R186-E675 WeakPolarHBondContact CB-OE2 3.49Å; R186-E675 WeakPolarHBondContact CD-OE2 3.48Å; R186-E675 WeakPolarHBondContact CG-OE2 3.48Å; R186-E675 IonicContact CZ-OE2 3.98Å; R186-E675 IonicContact NE-OE2 2.89Å; R186-E675 PolarHBondContact NE-OE2 3.39Å; R186-E675 PolarHBondContact NH1-O 3.48Å; R186-E675 IonicContact NH1-OE2 3.37Å; R186-E675 PolarHBondContact NH2-O 2.97Å; R186-E675 VanDerWaalsContact NH2-O 3.09Å; Y189-E675 HydrophobicContact CD1-CG 4.32Å; Y189-E675 WeakPolarHBondContact CD1-OE1 3.45Å; Y189-E675 HydrophobicContact CE1-CG 4.47Å
676Y27.2Very low29.4Very low54 Ų54116.3 Ų116.321%0.21263%0.629CS.*  trans77.6150.8178.8-64.4-72.8000117.4E168 I171 Y189E168-Y676 HydrophobicContact CB-CE1 4.37Å; E168-Y676 HydrophobicContact CG-CE1 4.04Å; I171-Y676 HydrophobicContact CB-CD2 4.17Å; I171-Y676 HydrophobicContact CB-CE2 3.68Å; I171-Y676 HydrophobicContact CD1-CE2 3.51Å; I171-Y676 WeakPolarHBondContact CD1-OH 3.44Å; I171-Y676 HydrophobicContact CG1-CD2 4.27Å; I171-Y676 HydrophobicContact CG1-CE2 3.48Å; I171-Y676 VanDerWaalsContact CG1-CE2 3.48Å; I171-Y676 HydrophobicContact CG2-CD2 3.63Å; I171-Y676 HydrophobicContact CG2-CE2 3.68Å; I171-Y676 HydrophobicContact CG2-CG 4.43Å; Y189-Y676 WeakPolarHBondContact CB-OH 3.31Å; Y189-Y676 HydrophobicContact CD1-CE1 4.31Å; Y189-Y676 AromaticContact CD1-CZ 3.86Å; Y189-Y676 WeakPolarHBondContact CD1-OH 3.48Å; Y189-Y676 HydrophobicContact CD2-CE1 4.09Å; Y189-Y676 AromaticContact CD2-CZ 3.88Å; Y189-Y676 WeakPolarHBondContact CD2-OH 3.41Å; Y189-Y676 AromaticContact CE1-CE1 3.99Å; Y189-Y676 HydrophobicContact CE1-CE1 3.99Å; Y189-Y676 AromaticContact CE2-CE1 3.77Å; Y189-Y676 HydrophobicContact CE2-CE1 3.77Å; Y189-Y676 HydrophobicContact CG-CE1 4.35Å; Y189-Y676 AromaticContact CG-CZ 3.78Å; Y189-Y676 AromaticContact CZ-CE1 3.73Å
677D30Very low29.4Very low91 Ų91114.4 Ų114.449%0.48762%0.623SS.*  cis-133.2-173.423.5-103.2-49.3000116.1K175K175-D677 IonicContact NZ-OD2 3.87Å; K175-D677 PolarHBondContact NZ-OD2 3.01Å
678T30.3Very low29.5Very low68 Ų68112.7 Ų112.742%0.41763%0.628SS.*  trans-85.8-175.4-15549.90000120.5E168E168-T678 HydrophobicContact CG-CG2 4.42Å
679D30.6Very low29.8Very low148 Ų148111.5 Ų111.579%0.79163%0.626SS**  trans92.3139.2154.1-69.4-44.6000120.8
680S30.4Very low29.9Very low85 Ų85109.5 Ų109.559%0.59461%0.606SS**  cis-160.5163.4-10.665.90000113.8
681N28.6Very low30.3Very low151 Ų151111.4 Ų111.481%0.80761%0.609SS**  trans61.9149.7153.8-70.6-52.3000121.4
682S28.4Very low30.3Very low84 Ų84109.1 Ų109.159%0.58760%0.596SS**  cis-166.7162.6-19.870.50000112.4
683R29.8Very low30.6Very low235 Ų235108.4 Ų108.489%0.88759%0.589SS**  trans58.9110.9162.1-57171.4-171.9-163.60.8117.4
684K27.1Very low30.9Very low207 Ų207107.5 Ų107.590%0.958%0.578SS**  94.3138.659.7-89.8-157.6172.2-171.20115
685P38.3Very low31.1Very low115 Ų115106.2 Ų106.275%0.74758%0.583SS**  trans-107.7-164.1-16843.2-32.2000113.3
686P34.8Very low31.3Very low103 Ų103109.4 Ų109.467%0.66961%0.609SS**  -158.6175.690.441-19.8000119.8
687T30.4Very low31.9Very low116 Ų116112.5 Ų112.571%0.71264%0.635SS**  trans57.7123.3144.951.10000121.8
688V32.7Very low31.9Very low117 Ų117116.9 Ų116.971%0.70965%0.653SS**  cis86.3161.141.7-600000115.8
689P35.4Very low32.1Very low79 Ų79120 Ų12051%0.51367%0.667SS.*  cis-147.2-179.7-31.434.4-13000118.9
690R31.2Very low31.9Very low79 Ų79120.9 Ų120.930%0.29867%0.671SS.*  82.2155.1128.2-100.8176.4173.4166.8-3.9125.5G143 E147 N210G143-R690 VanDerWaalsContact C-NH2 3.29Å; G143-R690 PolarHBondContact O-NH2 2.93Å; E147-R690 VanDerWaalsContact CD-NH2 3.3Å; E147-R690 IonicContact OE1-CZ 2.87Å; E147-R690 IonicContact OE1-NH1 2.63Å; E147-R690 PolarHBondContact OE1-NH1 3.43Å; E147-R690 IonicContact OE2-CZ 3.48Å; E147-R690 IonicContact OE2-NH1 2.62Å; E147-R690 PolarHBondContact OE2-NH1 2.97Å; E147-R690 IonicContact OE2-NH2 3.66Å; E147-R690 PolarHBondContact OE2-NH2 2.95Å; N210-R690 WeakPolarHBondContact OD1-CG 3.42Å
691V34.3Very low31.9Very low118 Ų118120 Ų12072%0.71568%0.676SS**  146.393123.1172.10000110.9
692S32.3Very low32Very low79 Ų79119.6 Ų119.655%0.55268%0.679SS**  73.4165.2109.386.70000116.9
693D32.4Very low31.8Very low69 Ų69121.4 Ų121.437%0.36969%0.686SS.*  cis-169.3173.523.4-133.2-36.5000117.4R142R142-D693 WeakPolarHBondContact CB-OD1 3.46Å
694Y33.2Very low31.8Very low121 Ų121119.5 Ų119.548%0.47569%0.688SS.*  trans52.4167.5162.8-55.8-54.3000121.4N141 R142N141-Y694 PolarHBondContact OD1-OH 3.11Å; R142-Y694 HydrophobicContact CG-CD1 4.31Å; R142-Y694 HydrophobicContact CG-CE1 4.05Å
695A31.8Very low31.6Very low76 Ų76117.8 Ų117.863%0.62869%0.685SS**  cis-151.2128.9-29.200000108.4
696S28.5Very low31.3Very low102 Ų102120.6 Ų120.671%0.71369%0.692SS**  69.2147.298.6-68.30000118.8R142R142-S696 PolarHBondContact NH2-OG 2.81Å
697P39.6Very low30.8Very low119 Ų119120.9 Ų120.977%0.77370%0.696SS**  trans-128.9175.7-158.644.2-29000117.4
698E30.7Very low30.6Very low184 Ų184123.6 Ų123.686%0.8670%0.704SS**  trans-162.7173.2163.1-122.9152.1-146.700115.3
699D32.6Very low30.5Very low132 Ų132121.7 Ų121.771%0.70671%0.708SS**  trans73101.4161.7-71.8-6000126.7
700L28.4Very low30.1Very low168 Ų168126.5 Ų126.588%0.8872%0.724SS**  52.8135.4108.9-69169.5000125.2
701G29.2Very low29.9Very low67 Ų67131.2 Ų131.269%0.69175%0.747SS**  trans100.9152.5149.700000117.7
702T30.2Very low29.7Very low142 Ų142133 Ų13387%0.87175%0.752SS**  cis-157.7161.5-13.3-45.50000109.9
703T25.3Very low29.5Very low121 Ų121133.7 Ų133.774%0.74276%0.762SS**  trans-59.5147.7176.1-37.30000115.2
704E30Very low29.4Very low196 Ų196137.9 Ų137.992%0.91679%0.785SS**  -162.5168.9125-120176.9-159.100114.3
705M23.1Very low29.3Very low170 Ų170136.3 Ų136.384%0.83779%0.791SS**  trans-114.8142-172.7-58.817571.100112.4
706I30.8Very low29Very low175 Ų175142.9 Ų142.990%0.89780%0.8SS**  trans-136.5134.8155.3-59.4-177.6000109.8
707S24.9Very low28.9Very low108 Ų108144.8 Ų144.876%0.75581%0.808SS**  trans-134.9139.5167.7174.60000108.6
708I25.7Very low28.3Very low173 Ų173143.4 Ų143.489%0.88781%0.806SS**  trans-178.2137.2159-97.4147.5000108
709G30Very low28Very low77 Ų77141.1 Ų141.179%0.79480%0.8SS**  trans1619117600000112.5
710Q27Very low27.9Very low180 Ų180146.1 Ų146.184%0.84181%0.81SS**  trans-101.6170.9179.6-63.8-177-59.900112.3
711K27.1Very low27.9Very low178 Ų178145.3 Ų145.377%0.77481%0.805SS**  trans83.6153.1163.2-56.7-175-178.4-179.70115.6
712D31.7Very low27.7Very low157 Ų157148.3 Ų148.384%0.8481%0.805SS**  cis-118.2-178.67.3-89.1-64000113.7
713A26.8Very low27.7Very low92 Ų92150.6 Ų150.676%0.7681%0.808SS**  trans-136.3144.9-176.300000113.3
714D31.4Very low27.7Very low158 Ų158150.9 Ų150.985%0.84581%0.805SS**  trans-154.6126.2161.5-107.1-37.9000106.5
715S29.6Very low27.6Very low87 Ų87147.8 Ų147.861%0.60880%0.8SS**  89.9133.968.8-176.40000112
716R26.2Very low27.8Very low215 Ų215148.4 Ų148.481%0.81180%0.8SS**  cis-166.8152.7-10-109.4174.7-176.7161.11.2108
717T25.7Very low27.5Very low142 Ų142151.9 Ų151.987%0.87180%0.802SS**  trans60.2157.5158.9510000117.7
718A28.1Very low27.6Very low89 Ų89152.1 Ų152.174%0.73680%0.804SS**  cis-145.8165.69.700000112.2
719D25.2Very low27.6Very low136 Ų136151.1 Ų151.173%0.72780%0.8SS**  trans-83.3156.6-178.9-47.9-94.1000114.6
720Y29.3Very low27.6Very low237 Ų237153.6 Ų153.693%0.92981%0.806SS**  trans-144.478.7155.1-98.7-71000112.7
721I27.9Very low27.6Very low152 Ų152148.4 Ų148.478%0.77980%0.8SS**  trans4.1143.5147.4-49.2178.7000119.1
722N25.8Very low27.9Very low129 Ų129145.7 Ų145.769%0.6980%0.801SS**  trans-45162167-71.3-12.6000116.2
723M29.9Very low27.6Very low190 Ų190144.4 Ų144.494%0.93680%0.799SS**  trans-125.5129.9137.7-79.5-165.269.600110.8
724D26.6Very low27.6Very low127 Ų127146.1 Ų146.168%0.67980%0.799SS**  trans-78.6164.1171.9-66.2-84.6000112.3
725V27.2Very low27.3Very low131 Ų131145.4 Ų145.479%0.79480%0.795SS**  168.6109.5106.6164.60000110.4
726Q26.2Very low27.1Very low183 Ų183145.9 Ų145.986%0.85580%0.798SS**  trans15137.5144.6-54.2-176.11.400121.9
727R25.1Very low27Very low248 Ų248141.7 Ų141.794%0.93680%0.797SS**  trans-53.5152.1169.7-54.5162.7175.3165.8-3.6114.4
728S27.6Very low27.1Very low113 Ų113142.3 Ų142.379%0.7979%0.789SS**  trans-148.8117.4139.753.80000113.7
729N26.1Very low27.2Very low152 Ų152145.8 Ų145.881%0.81379%0.788SS**  trans43.7151.5151.3-68.2-3.8000124.7
730S29.5Very low27.5Very low130 Ų130147.1 Ų147.191%0.90979%0.79SS**  trans59.9136.6163.746.40000116.8
731G26.2Very low27.6Very low70 Ų70141 Ų14172%0.72277%0.773SS**  cis144.7145.81300000107.4
732P33.7Very low28Very low122 Ų122141.6 Ų141.679%0.79277%0.77SS**  trans-120.7-171.6-150.242.4-30.6000115.2
733V26.2Very low28.4Very low130 Ų130142.5 Ų142.579%0.78878%0.775SS**  trans90.9113.6146.1151.80000119.8
734V26Very low28.8Very low128 Ų128139.9 Ų139.978%0.77677%0.77SS**  trans92.4159.8135.5163.70000122.3
735L25.5Very low29.5Very low143 Ų143138.8 Ų138.875%0.74977%0.769SS**  trans-83.2161.8-162.1-71.666.7000115.4
736S24.5Very low29.8Very low96 Ų96139.1 Ų139.167%0.67177%0.772SS**  trans52.9121.7137.5-59.90000122.9
737T25.8Very low30.3Very low128 Ų128136.2 Ų136.279%0.78577%0.772SS**  trans61.4106.2136.557.70000121.1
738E27.1Very low30.8Very low154 Ų154133 Ų13372%0.7277%0.767SS**  trans43.4116.9136.7-58.8-144.1104.500122.8
739K29Very low31.4Very low163 Ų163133 Ų13371%0.70977%0.767SS**  trans75.3111.1133.6-68170.2179.3142.90121.6
740E31.3Very low32.4Very low163 Ų163130.5 Ų130.576%0.76276%0.759SS**  trans77.7104.6132.8-63.3-148.27900123.7
741N32.8Very low32.7Very low110 Ų110135.1 Ų135.159%0.58876%0.757SS**  74.7110.8123.4-82.3-50.8000123.4
742K35.9Very low33.3Very low164 Ų164138.1 Ų138.171%0.71376%0.761SS**  87.7113.4129.2-68169.7-178.5170.50122.7
743N35Very low33.5Very low147 Ų147136.2 Ų136.279%0.78676%0.756SS**  59.4142129.2-47.8-4.5000118.8
744V38Very low34.2Very low136 Ų136136.4 Ų136.482%0.82476%0.76SS**  cis-158.2159.745.21680000110
745P40.5Very low34.5Very low104 Ų104135.4 Ų135.468%0.67576%0.758SS**  trans-120.8-161-171.443.6-30.7000116.5
746T34Very low35.1Very low137 Ų137137.3 Ų137.384%0.8476%0.764SS**  trans83.8128.8155.745.70000123.4
747S36.2Very low35.5Very low123 Ų123139.7 Ų139.786%0.8677%0.767SS**  trans-163.5169.9152.762.10000109.8
748E35.8Very low36Very low179 Ų179143.3 Ų143.384%0.83677%0.772SS**  trans-148.4160.9-171.6-65.2-174.762.500114.6
749S41.1Very low36Very low113 Ų113140.1 Ų140.179%0.7977%0.767SS**  172.8148.9113.647.60000115.7
750P46.1Very low35.9Very low100 Ų100140.9 Ų140.965%0.64977%0.773SS**  trans-131.5-176.4-178.644.7-31.6000115.5
751R37Very low36Very low228 Ų228142 Ų14286%0.8678%0.783SS**  trans-179.4147.9165.4-102135.5-116.4-101.5-3.5109.8
752T37.8Very low35.8Very low133 Ų133141.7 Ų141.782%0.81679%0.79SS**  cis-157.4177.4-14.3-26.20000108.8
753A38.9Very low35.3Very low82 Ų82138.8 Ų138.868%0.67879%0.79SS**  trans-135.4-177.6166.100000110.7
754P39.1Very low34.8Very low134 Ų134139.1 Ų139.187%0.8779%0.792SS**  -142.8-168.794.739.5-23.4000114.9
755S33.6Very low34.4Very low106 Ų106142.9 Ų142.974%0.74180%0.797SS**  trans-134.8159.8-153.655.70000114.7
756E38Very low33.9Very low184 Ų184142.7 Ų142.786%0.8680%0.798SS**  trans-153.1104.2142.1-125.3166.4-132.600115.1
757I32.1Very low34.1Very low146 Ų146143 Ų14375%0.74980%0.8SS**  trans41.1107.1136.4-51171.7000120.1
758F35.8Very low34.9Very low204 Ų204141.6 Ų141.690%0.89579%0.787SS**  -143.4159120.8-131.2-90000109.8
759S28.3Very low36.4Very low86 Ų86139.8 Ų139.860%0.60178%0.781SS**  trans-96.5143-152.553.40000117.5
760E27.6Very low38.4Very low179 Ų179135.3 Ų135.384%0.83675%0.748SS**  trans53.794.7142.5-63.6-178.715700119.8
761L33Very low40.2Very low187 Ų187132.3 Ų132.398%0.97973%0.729SS**  trans-16472.3141-112.4162.3000111.9
762S27Very low42.5Very low104 Ų104123 Ų12373%0.72770%0.696SS**  trans-100.4158.6177.349.10000112.9
763S25.5Very low44.9Very low102 Ų102123.9 Ų123.971%0.71370%0.695SS**SBendtrans5587.7169.654.30000118.4
764N25.5Very low47.3Very low155 Ų155121.3 Ų121.383%0.82967%0.669SS**  165.388.6126-85.5-31.5000111.6
765K29.6Very low49.8Very low215 Ų215115.6 Ų115.694%0.93563%0.631SS**  trans-100.378.8165.4-74.5-167.6177.6-176.40110.1T767K765-T767 PolarHBondContact O-N 2.87Å
766S28.9Very low52.7Low100 Ų100115 Ų11570%0.69961%0.612SS**  trans-64.9126165.439.50000109.5T768S766-T768 PolarHBondContact O-N 2.8Å; S766-T768 PolarHBondContact O-OG1 3.4Å
767T38.4Very low55.3Low144 Ų144108.8 Ų108.888%0.88359%0.587SS**  trans-58.6102.51776.30000109.3K765 I769K765-T767 PolarHBondContact O-N 2.87Å; T767-I769 PolarHBondContact O-N 2.92Å
768T53.7Low58.2Low93 Ų93103.8 Ų103.857%0.57156%0.563SS**  trans-75.4110.2-177.9-23.20000108.1S766 L770S766-T768 PolarHBondContact O-N 2.8Å; S766-T768 PolarHBondContact O-OG1 3.4Å; T768-L770 PolarHBondContact O-N 2.8Å; T768-L770 VanDerWaalsContact O-N 3.12Å
769I67.2Low60.9Low141 Ų14194.5 Ų94.572%0.72352%0.524SS*.  trans-57.9118.5177.9-58.2173.7000108.1T767T767-I769 PolarHBondContact O-N 2.92Å
770L82.3Confident64.1Low18 Ų1890.4 Ų90.49%0.09450%0.495CS..  trans-72.3135.3-177.6-158.675.9000109.5T768 F775 Y794 A843 F845 V854 Y1098T768-L770 PolarHBondContact O-N 2.8Å; T768-L770 VanDerWaalsContact O-N 3.12Å; L770-F775 HydrophobicContact CD1-CE2 4.5Å; L770-F775 HydrophobicContact CD2-CE2 3.94Å; L770-F775 HydrophobicContact CD2-CZ 4.02Å; L770-F775 HydrophobicContact CG-CE2 4.03Å; L770-F775 HydrophobicContact CG-CZ 4.47Å; L770-Y794 HydrophobicContact CD1-CE2 3.66Å; L770-Y794 WeakPolarHBondContact CD1-OH 3.32Å; L770-A843 HydrophobicContact CD2-CB 3.62Å; L770-F845 HydrophobicContact CB-CB 4.29Å; L770-F845 HydrophobicContact CB-CD1 4.46Å; L770-F845 HydrophobicContact CB-CG 4.37Å; L770-F845 HydrophobicContact CD2-CD1 3.83Å; L770-F845 HydrophobicContact CD2-CE1 4.2Å; L770-F845 HydrophobicContact CG-CD1 4.35Å; L770-F845 VanDerWaalsContact O-CD2 3.28Å; L770-F845 WeakPolarHBondContact O-CD2 3.47Å; L770-V854 HydrophobicContact CD2-CG2 4.38Å; L770-Y1098 HydrophobicContact CD1-CE2 4.48Å
771S84.3Confident67.1Low37 Ų3782.5 Ų82.526%0.25946%0.459SS..  trans-133.8163.4-176.681.50000112.2I773 D774 F775S771-I773 PolarHBondContact O-N 2.81Å; S771-I773 VanDerWaalsContact O-N 3.17Å; S771-I773 WeakPolarHBondContact OG-CB 3.36Å; S771-I773 PolarHBondContact OG-N 3.19Å; S771-I773 VanDerWaalsContact OG-N 3.15Å; S771-D774 WeakPolarHBondContact CB-OD2 3.43Å; S771-D774 PolarHBondContact N-OD2 3.49Å; S771-D774 WeakPolarHBondContact O-CB 3.45Å; S771-D774 PolarHBondContact O-N 3.16Å; S771-D774 VanDerWaalsContact O-N 3.1Å; S771-D774 PolarHBondContact OG-N 2.66Å; S771-D774 PolarHBondContact OG-OD2 2.87Å; S771-F775 VanDerWaalsContact O-CD2 3.32Å; S771-F775 WeakPolarHBondContact O-CD2 3.47Å
772M86.6Confident69.7Low34 Ų3474.2 Ų74.217%0.16742%0.418CS..G310 helixtrans-61.6-20.2171-76.1-62-48.800113.2D774 F775 T777 F845 M852 L1075M772-D774 VanDerWaalsContact C-N 3.27Å; M772-F775 PolarHBondContact O-N 2.87Å; M772-T777 HydrophobicContact CE-CG2 3.76Å; M772-F845 HydrophobicContact CG-CE2 3.89Å; M772-F845 HydrophobicContact CG-CZ 4.03Å; M772-F845 HydrophobicContact SD-CE2 4.18Å; M772-F845 HydrophobicContact SD-CZ 3.71Å; M772-M852 HydrophobicContact CG-CE 3.9Å; M772-M852 HydrophobicContact SD-CE 3.84Å; M772-M852 HydrophobicContact SD-CG 4.39Å; M772-M852 HydrophobicContact SD-SD 4.45Å; M772-L1075 HydrophobicContact CE-CD1 4.35Å; M772-L1075 HydrophobicContact CE-CD2 4.5Å; M772-L1075 HydrophobicContact CE-CG 4.46Å; M772-L1075 HydrophobicContact CG-CD1 3.97Å; M772-L1075 HydrophobicContact SD-CD1 4.35Å
773I86.9Confident72.4Confident151 Ų15176.3 Ų76.377%0.77441%0.41SS*.G310 helixtrans-73.1-26.5178.8-53.9173.9000110S771 F775S771-I773 PolarHBondContact O-N 2.81Å; S771-I773 VanDerWaalsContact O-N 3.17Å; S771-I773 WeakPolarHBondContact OG-CB 3.36Å; S771-I773 PolarHBondContact OG-N 3.19Å; S771-I773 VanDerWaalsContact OG-N 3.15Å; I773-F775 PolarHBondContact O-N 3.48Å
774D89.4Confident74.5Confident28 Ų2873.8 Ų73.815%0.1540%0.401CS..G310 helixtrans-71.5-4.8172.6-56.2-98.8000113.2S771 M772 Y794 H795 R796S771-D774 WeakPolarHBondContact CB-OD2 3.43Å; S771-D774 PolarHBondContact N-OD2 3.49Å; S771-D774 WeakPolarHBondContact O-CB 3.45Å; S771-D774 PolarHBondContact O-N 3.16Å; S771-D774 VanDerWaalsContact O-N 3.1Å; S771-D774 PolarHBondContact OG-N 2.66Å; S771-D774 PolarHBondContact OG-OD2 2.87Å; M772-D774 VanDerWaalsContact C-N 3.27Å; D774-Y794 HydrophobicContact CB-CD2 4.06Å; D774-Y794 HydrophobicContact CB-CE2 3.69Å; D774-Y794 WeakPolarHBondContact O-CD2 3.45Å; D774-H795 PolarHBondContact O-N 3.28Å; D774-H795 PolarHBondContact O-ND1 3.43Å; D774-R796 IonicContact OD1-CZ 3.87Å; D774-R796 IonicContact OD1-NE 3.24Å; D774-R796 PolarHBondContact OD1-NE 3.21Å; D774-R796 IonicContact OD1-NH2 2.98Å; D774-R796 PolarHBondContact OD1-NH2 2.63Å
775F92.2Very high76.5Confident13 Ų1372 Ų726%0.05739%0.387CS..EExtended strand (participates in β ladder)trans-121.1139.8-177.7-67.2-85.7000114.2L770 S771 M772 I773 Q793 Y794 H795 Y801 I803 F845 V854L770-F775 HydrophobicContact CD1-CE2 4.5Å; L770-F775 HydrophobicContact CD2-CE2 3.94Å; L770-F775 HydrophobicContact CD2-CZ 4.02Å; L770-F775 HydrophobicContact CG-CE2 4.03Å; L770-F775 HydrophobicContact CG-CZ 4.47Å; S771-F775 VanDerWaalsContact O-CD2 3.32Å; S771-F775 WeakPolarHBondContact O-CD2 3.47Å; M772-F775 PolarHBondContact O-N 2.87Å; I773-F775 PolarHBondContact O-N 3.48Å; F775-Q793 CarbonylContact C-O 3.52Å; F775-Q793 VanDerWaalsContact CA-O 3.29Å; F775-Q793 WeakPolarHBondContact CA-O 3.39Å; F775-Y794 HydrophobicContact CD1-CD2 4.08Å; F775-Y794 HydrophobicContact CD1-CG 4.45Å; F775-Y794 AromaticContact CE1-CD2 3.73Å; F775-Y794 HydrophobicContact CE1-CD2 3.73Å; F775-Y794 AromaticContact CE1-CG 4Å; F775-Y794 HydrophobicContact CE1-CG 4Å; F775-Y794 HydrophobicContact CE2-CD2 4.24Å; F775-Y794 HydrophobicContact CG-CD2 4.49Å; F775-Y794 AromaticContact CZ-CD2 3.81Å; F775-Y794 HydrophobicContact CZ-CD2 3.81Å; F775-Y794 HydrophobicContact CZ-CE2 4.34Å; F775-Y794 HydrophobicContact CZ-CG 4.4Å; F775-H795 VanDerWaalsContact C-CE1 3.42Å; F775-H795 PolarHBondContact N-ND1 3.25Å; F775-Y801 HydrophobicContact CE1-CD2 4.13Å; F775-I803 HydrophobicContact CB-CD1 4.32Å; F775-I803 HydrophobicContact CD1-CD1 3.78Å; F775-I803 HydrophobicContact CD2-CD1 4.03Å; F775-I803 HydrophobicContact CE1-CD1 4Å; F775-I803 HydrophobicContact CE2-CD1 4.26Å; F775-I803 HydrophobicContact CG-CD1 3.78Å; F775-I803 HydrophobicContact CZ-CD1 4.25Å; F775-F845 HydrophobicContact CD2-CZ 4.35Å; F775-F845 AromaticContact CE2-CE1 3.9Å; F775-F845 HydrophobicContact CE2-CE1 3.9Å; F775-F845 HydrophobicContact CE2-CZ 4.16Å; F775-V854 HydrophobicContact CE1-CG1 4.18Å; F775-V854 HydrophobicContact CE2-CG2 4.41Å; F775-V854 HydrophobicContact CZ-CG1 4.03Å; F775-V854 HydrophobicContact CZ-CG2 3.99Å
776R93.8Very high78.1Confident95 Ų9564.7 Ų64.736%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-96.7101.9168.5-167.5-167.396.9-166.219.4109V778 S792 Q793 H795 E1059R776-V778 PolarHBondContact O-N 2.99Å; R776-S792 CarbonylContact O-C 3.5Å; R776-S792 WeakPolarHBondContact O-CA 3.45Å; R776-Q793 HydrophobicContact CB-CB 4.22Å; R776-Q793 PolarHBondContact N-O 3.42Å; R776-Q793 PolarHBondContact O-N 2.84Å; R776-H795 PolarHBondContact N-CE1 3.5Å; R776-E1059 IonicContact CZ-OE1 3.45Å; R776-E1059 IonicContact CZ-OE2 2.71Å; R776-E1059 IonicContact NH1-OE1 3.35Å; R776-E1059 IonicContact NH2-OE1 2.7Å; R776-E1059 PolarHBondContact NH2-OE1 3.42Å; R776-E1059 IonicContact NH2-OE2 3.95Å; R776-E1059 PolarHBondContact NH2-OE2 2.95Å
777T93Very high80.6Confident52 Ų5260.6 Ų60.632%0.31933%0.329SS..EExtended strand (participates in β ladder)trans-69.2125.6175.849.10000111M772 L790 A1073M772-T777 HydrophobicContact CE-CG2 3.76Å; T777-L790 HydrophobicContact CG2-CD1 4.05Å; T777-A1073 PolarHBondContact OG1-O 3.44Å
778V92.9Very high83.1Confident42 Ų4254.4 Ų54.426%0.25529%0.29SS..EExtended strand (participates in β ladder)trans-101.8-60.7-175.4-179.50000111.4R776 L791 Y800 E1059 A1073R776-V778 PolarHBondContact O-N 2.99Å; V778-L791 HydrophobicContact CB-CB 4.41Å; V778-L791 HydrophobicContact CB-CD2 4.26Å; V778-L791 HydrophobicContact CB-CG 4.09Å; V778-L791 HydrophobicContact CG1-CD2 4.19Å; V778-L791 PolarHBondContact N-O 2.86Å; V778-Y800 HydrophobicContact CG2-CE1 4.18Å; V778-E1059 HydrophobicContact CG1-CB 4.41Å; V778-E1059 HydrophobicContact CG1-CG 4.43Å; V778-E1059 VanDerWaalsContact CG1-OE2 3.27Å; V778-E1059 WeakPolarHBondContact CG1-OE2 3.31Å; V778-A1073 WeakPolarHBondContact O-CB 3.39Å
779A93.9Very high85Confident8 Ų851.7 Ų51.77%0.06627%0.274CS..EExtended strand (participates in β ladder)trans-141.7159.7-171.900000112L790 L791 V1061A779-L790 CarbonylContact O-C 3.48Å; A779-L790 WeakPolarHBondContact O-CA 3.24Å; A779-L791 HydrophobicContact CB-CB 4.28Å; A779-L791 PolarHBondContact N-O 2.87Å; A779-L791 PolarHBondContact O-N 3.06Å; A779-V1061 HydrophobicContact CB-CG1 3.97Å
780V93.5Very high86.3Confident0 Ų045 Ų450%024%0.239CC..EExtended strand (participates in β ladder)trans-90.3116.7164.8-173.70000107.9K788 L790 F1068 T1069 E1071 A1073V780-K788 HydrophobicContact CG1-CB 4.46Å; V780-K788 HydrophobicContact CG1-CD 4.13Å; V780-K788 HydrophobicContact CG1-CG 4.38Å; V780-K788 HydrophobicContact CG2-CD 4.27Å; V780-L790 HydrophobicContact CB-CD2 4.32Å; V780-L790 HydrophobicContact CG1-CD2 4.43Å; V780-L790 HydrophobicContact CG2-CD2 3.75Å; V780-F1068 HydrophobicContact CG1-CB 4.39Å; V780-F1068 CarbonylContact O-C 3.58Å; V780-T1069 WeakPolarHBondContact O-CA 3.32Å; V780-T1069 PolarHBondContact O-N 3.23Å; V780-E1071 HydrophobicContact CB-CB 4.46Å; V780-E1071 HydrophobicContact CG2-CB 4.13Å; V780-E1071 WeakPolarHBondContact CG2-O 3.35Å; V780-A1073 HydrophobicContact CG2-CB 4.48Å
781L92.1Very high87Confident14 Ų1444.1 Ų44.17%0.07324%0.235CC..EExtended strand (participates in β ladder)trans-83.9-28.4179.6-64.2175.9000112.3V789 L791 A802 Y857 V1061 F1064L781-V789 HydrophobicContact CB-CB 4.4Å; L781-V789 HydrophobicContact CB-CG1 4.25Å; L781-V789 HydrophobicContact CD1-CG1 4.26Å; L781-V789 PolarHBondContact N-O 3.21Å; L781-L791 HydrophobicContact CD1-CB 3.95Å; L781-L791 HydrophobicContact CD2-CB 3.99Å; L781-L791 HydrophobicContact CG-CB 3.87Å; L781-A802 HydrophobicContact CD1-CB 4.28Å; L781-Y857 HydrophobicContact CD1-CD2 3.77Å; L781-Y857 HydrophobicContact CD1-CE2 3.52Å; L781-Y857 HydrophobicContact CD2-CE2 3.91Å; L781-Y857 HydrophobicContact CG-CE2 4.38Å; L781-V1061 HydrophobicContact CD2-CG1 3.78Å; L781-F1064 HydrophobicContact CB-CD1 4.11Å; L781-F1064 HydrophobicContact CB-CE1 4.16Å; L781-F1064 HydrophobicContact CD1-CE1 4.49Å; L781-F1064 HydrophobicContact CD2-CD1 4.02Å; L781-F1064 HydrophobicContact CD2-CD2 3.93Å; L781-F1064 HydrophobicContact CD2-CE1 4.02Å; L781-F1064 HydrophobicContact CD2-CE2 3.94Å; L781-F1064 HydrophobicContact CD2-CG 3.98Å; L781-F1064 HydrophobicContact CD2-CZ 3.98Å; L781-F1064 HydrophobicContact CG-CE1 4.45Å
782G87.6Confident87.5Confident13 Ų1342.4 Ų42.413%0.13422%0.222CC..EExtended strand (participates in β ladder)trans-175.6168-17700000113.1V789G782-V789 PolarHBondContact O-N 3Å
783R83.2Confident87.9Confident147 Ų14741.6 Ų41.656%0.55522%0.218SC*.EExtended strand (participates in β ladder)trans-141107-175.8-176.2174.2174.2161.8-4.2112.1K788 F1068 E1071R783-K788 HydrophobicContact CG-CG 4.48Å; R783-F1068 HydrophobicContact CB-CD1 4.16Å; R783-F1068 HydrophobicContact CB-CE1 4.03Å; R783-E1071 IonicContact NH1-OE1 3.99Å; R783-E1071 IonicContact NH1-OE2 2.75Å
784G69.7Low88.2Confident50 Ų5035.3 Ų35.352%0.51519%0.185SC..  trans-82.1-178.9172.900000112.9F786 G787G784-F786 VanDerWaalsContact C-N 3.29Å; G784-F786 PolarHBondContact O-N 3Å; G784-G787 PolarHBondContact N-O 2.97Å
785H66.8Low88.3Confident118 Ų11839 Ų3955%0.54620%0.201SC..SBendtrans-58.5-40.7177.7178.6-85.7000112.6E810 R814H785-E810 IonicContact CE1-OE1 3.58Å; H785-R814 PolarHBondContact CE1-NE 3.23Å; H785-R814 PolarHBondContact CE1-NH2 3.44Å; H785-R814 PolarHBondContact NE2-NH2 3.29Å
786F64.4Low88Confident60 Ų6044.3 Ų44.326%0.26322%0.221SC..SBendtrans-96.8-8.6-169.7-53.8-78.4000115G784 L806 K807 E810 E816G784-F786 VanDerWaalsContact C-N 3.29Å; G784-F786 PolarHBondContact O-N 3Å; F786-L806 HydrophobicContact CB-CD2 3.74Å; F786-K807 PolarHBondContact O-N 3.15Å; F786-E810 HydrophobicContact CD1-CG 4.06Å; F786-E816 WeakPolarHBondContact CE1-OE2 3.33Å; F786-E816 WeakPolarHBondContact CZ-OE2 3.3Å
787G81.4Confident87.6Confident15 Ų1542.3 Ų42.316%0.15522%0.217CC..EExtended strand (participates in β ladder)trans-178.5-172.5-15500000116.5G784 S805G784-G787 PolarHBondContact N-O 2.97Å; G787-S805 CarbonylContact C-O 3.46Å; G787-S805 WeakPolarHBondContact CA-O 3.37Å
788K90.5Very high87.5Confident13 Ų1344.6 Ų44.66%0.05723%0.227CC..EExtended strand (participates in β ladder)trans-127152.7176.6-72.2-174174.6-174.40110.3V780 R783 L790 S805 E1071 V1074 T1076V780-K788 HydrophobicContact CG1-CB 4.46Å; V780-K788 HydrophobicContact CG1-CD 4.13Å; V780-K788 HydrophobicContact CG1-CG 4.38Å; V780-K788 HydrophobicContact CG2-CD 4.27Å; R783-K788 HydrophobicContact CG-CG 4.48Å; K788-L790 HydrophobicContact CB-CD2 4.26Å; K788-L790 HydrophobicContact CD-CD2 4.28Å; K788-S805 PolarHBondContact N-O 2.63Å; K788-S805 PolarHBondContact O-N 3.4Å; K788-E1071 VanDerWaalsContact CE-OE1 3.29Å; K788-E1071 WeakPolarHBondContact CE-OE1 3.44Å; K788-E1071 WeakPolarHBondContact CE-OE2 3.37Å; K788-E1071 IonicContact NZ-OE1 3.76Å; K788-E1071 PolarHBondContact NZ-OE1 3.35Å; K788-E1071 IonicContact NZ-OE2 2.68Å; K788-E1071 PolarHBondContact NZ-OE2 3.48Å; K788-V1074 PolarHBondContact NZ-O 2.85Å; K788-T1076 WeakPolarHBondContact CE-OG1 3.22Å
789V93.4Very high87.5Confident37 Ų3747.1 Ų47.122%0.22424%0.235CC..EExtended strand (participates in β ladder)trans-103.4124.7163.3-173.30000108.1L781 G782 A802 I803 K804L781-V789 HydrophobicContact CB-CB 4.4Å; L781-V789 HydrophobicContact CB-CG1 4.25Å; L781-V789 HydrophobicContact CD1-CG1 4.26Å; L781-V789 PolarHBondContact N-O 3.21Å; G782-V789 PolarHBondContact O-N 3Å; V789-A802 HydrophobicContact CG1-CB 4.02Å; V789-I803 CarbonylContact C-O 3.59Å; V789-I803 WeakPolarHBondContact CA-O 3.35Å; V789-K804 HydrophobicContact CG2-CB 4.39Å
790L94.7Very high87.5Confident0 Ų048.6 Ų48.60%024%0.239CC..EExtended strand (participates in β ladder)trans-115.1123.3-177.1-58.9179.3000110.9T777 A779 V780 K788 S792 I803 L1075T777-L790 HydrophobicContact CG2-CD1 4.05Å; A779-L790 CarbonylContact O-C 3.48Å; A779-L790 WeakPolarHBondContact O-CA 3.24Å; V780-L790 HydrophobicContact CB-CD2 4.32Å; V780-L790 HydrophobicContact CG1-CD2 4.43Å; V780-L790 HydrophobicContact CG2-CD2 3.75Å; K788-L790 HydrophobicContact CB-CD2 4.26Å; K788-L790 HydrophobicContact CD-CD2 4.28Å; L790-S792 PolarHBondContact O-N 3.32Å; L790-S792 PolarHBondContact O-OG 2.85Å; L790-I803 PolarHBondContact N-O 3.25Å; L790-I803 PolarHBondContact O-N 3.2Å; L790-L1075 HydrophobicContact CD1-CD2 3.89Å
791L96.1Very high87.6Confident0 Ų049.2 Ų49.20%024%0.241CC..EExtended strand (participates in β ladder)trans-65.5123164.3177.656.4000108.2V778 A779 L781 Y800 Y857 V1061V778-L791 HydrophobicContact CB-CB 4.41Å; V778-L791 HydrophobicContact CB-CD2 4.26Å; V778-L791 HydrophobicContact CB-CG 4.09Å; V778-L791 HydrophobicContact CG1-CD2 4.19Å; V778-L791 PolarHBondContact N-O 2.86Å; A779-L791 HydrophobicContact CB-CB 4.28Å; A779-L791 PolarHBondContact N-O 2.87Å; A779-L791 PolarHBondContact O-N 3.06Å; L781-L791 HydrophobicContact CD1-CB 3.95Å; L781-L791 HydrophobicContact CD2-CB 3.99Å; L781-L791 HydrophobicContact CG-CB 3.87Å; L791-Y800 HydrophobicContact CD1-CD1 4.06Å; L791-Y800 HydrophobicContact CG-CD1 4.45Å; L791-Y857 HydrophobicContact CD1-CD1 3.4Å; L791-Y857 HydrophobicContact CD1-CD2 3.96Å; L791-Y857 HydrophobicContact CD1-CE1 3.43Å; L791-Y857 VanDerWaalsContact CD1-CE1 3.43Å; L791-Y857 HydrophobicContact CD1-CE2 4Å; L791-Y857 HydrophobicContact CD1-CG 3.69Å; L791-Y857 HydrophobicContact CD2-CE1 3.94Å; L791-Y857 HydrophobicContact CG-CE1 4.33Å; L791-V1061 HydrophobicContact CD2-CG1 3.68Å
792S95.4Very high87.7Confident0 Ų049 Ų490%024%0.241CC..EExtended strand (participates in β ladder)trans-140.5131-174.8-52.40000111.4R776 L790 Y801 I803R776-S792 CarbonylContact O-C 3.5Å; R776-S792 WeakPolarHBondContact O-CA 3.45Å; L790-S792 PolarHBondContact O-N 3.32Å; L790-S792 PolarHBondContact O-OG 2.85Å; S792-Y801 PolarHBondContact N-O 3.13Å; S792-Y801 PolarHBondContact O-N 2.92Å; S792-I803 WeakPolarHBondContact OG-CD1 3.26Å
793Q95.4Very high88.1Confident18 Ų1848.3 Ų48.38%0.08424%0.235CC..EExtended strand (participates in β ladder)trans-84.8136.7170.5-161.1-172.124.600109.7F775 R776 N798 K799 Y800F775-Q793 CarbonylContact C-O 3.52Å; F775-Q793 VanDerWaalsContact CA-O 3.29Å; F775-Q793 WeakPolarHBondContact CA-O 3.39Å; R776-Q793 HydrophobicContact CB-CB 4.22Å; R776-Q793 PolarHBondContact N-O 3.42Å; R776-Q793 PolarHBondContact O-N 2.84Å; Q793-N798 WeakPolarHBondContact CG-O 3.3Å; Q793-N798 PolarHBondContact NE2-O 3.29Å; Q793-N798 PolarHBondContact NE2-OD1 3.02Å; Q793-K799 CarbonylContact C-O 3.55Å; Q793-K799 WeakPolarHBondContact CA-O 3.33Å; Q793-K799 WeakPolarHBondContact CG-O 3.43Å; Q793-Y800 HydrophobicContact CB-CD1 3.96Å; Q793-Y800 HydrophobicContact CB-CE1 3.58Å; Q793-Y800 HydrophobicContact CG-CD1 4.22Å; Q793-Y800 HydrophobicContact CG-CD2 4.35Å; Q793-Y800 HydrophobicContact CG-CE1 3.77Å; Q793-Y800 HydrophobicContact CG-CE2 3.93Å; Q793-Y800 HydrophobicContact CG-CG 4.49Å; Q793-Y800 PolarHBondContact NE2-OH 3.11Å
794Y93.5Very high88.6Confident19 Ų1942.4 Ų42.48%0.07521%0.213CC..EExtended strand (participates in β ladder)trans-89.7127.9172.4-177.2-135.6000110.2L770 D774 F775 R796 D797 N798 K799 Y801L770-Y794 HydrophobicContact CD1-CE2 3.66Å; L770-Y794 WeakPolarHBondContact CD1-OH 3.32Å; D774-Y794 HydrophobicContact CB-CD2 4.06Å; D774-Y794 HydrophobicContact CB-CE2 3.69Å; D774-Y794 WeakPolarHBondContact O-CD2 3.45Å; F775-Y794 HydrophobicContact CD1-CD2 4.08Å; F775-Y794 HydrophobicContact CD1-CG 4.45Å; F775-Y794 AromaticContact CE1-CD2 3.73Å; F775-Y794 HydrophobicContact CE1-CD2 3.73Å; F775-Y794 AromaticContact CE1-CG 4Å; F775-Y794 HydrophobicContact CE1-CG 4Å; F775-Y794 HydrophobicContact CE2-CD2 4.24Å; F775-Y794 HydrophobicContact CG-CD2 4.49Å; F775-Y794 AromaticContact CZ-CD2 3.81Å; F775-Y794 HydrophobicContact CZ-CD2 3.81Å; F775-Y794 HydrophobicContact CZ-CE2 4.34Å; F775-Y794 HydrophobicContact CZ-CG 4.4Å; Y794-R796 HydrophobicContact CD1-CB 4.2Å; Y794-R796 HydrophobicContact CE1-CB 3.79Å; Y794-R796 HydrophobicContact CE1-CG 4.12Å; Y794-R796 HydrophobicContact CE2-CG 4.13Å; Y794-R796 PolarHBondContact O-N 3.43Å; Y794-R796 VanDerWaalsContact O-N 3.15Å; Y794-R796 WeakPolarHBondContact OH-CD 3.08Å; Y794-R796 PolarHBondContact OH-NE 3.01Å; Y794-D797 HydrophobicContact CD1-CB 4.49Å; Y794-D797 WeakPolarHBondContact CD1-OD1 3.4Å; Y794-N798 WeakPolarHBondContact O-CA 3.38Å; Y794-N798 PolarHBondContact O-N 3.21Å; Y794-K799 PolarHBondContact N-O 2.87Å; Y794-Y801 HydrophobicContact CD1-CE2 4.38Å; Y794-Y801 HydrophobicContact CG-CE2 4.38Å
795H90.5Very high89.8Confident104 Ų10440.3 Ų40.348%0.48119%0.191SC..THydrogen-bonded Turntrans-67.5-16.9-171.2-70.398.3000114.4D774 F775 R776D774-H795 PolarHBondContact O-N 3.28Å; D774-H795 PolarHBondContact O-ND1 3.43Å; F775-H795 VanDerWaalsContact C-CE1 3.42Å; F775-H795 PolarHBondContact N-ND1 3.25Å; R776-H795 PolarHBondContact N-CE1 3.5Å
796R85.7Confident91Very high125 Ų12535.4 Ų35.447%0.47217%0.168SC..THydrogen-bonded Turntrans-90.4-30.7-173.2-51.6-167.4-164.1177.66.2114.1D774 Y794D774-R796 IonicContact OD1-CZ 3.87Å; D774-R796 IonicContact OD1-NE 3.24Å; D774-R796 PolarHBondContact OD1-NE 3.21Å; D774-R796 IonicContact OD1-NH2 2.98Å; D774-R796 PolarHBondContact OD1-NH2 2.63Å; Y794-R796 HydrophobicContact CD1-CB 4.2Å; Y794-R796 HydrophobicContact CE1-CB 3.79Å; Y794-R796 HydrophobicContact CE1-CG 4.12Å; Y794-R796 HydrophobicContact CE2-CG 4.13Å; Y794-R796 PolarHBondContact O-N 3.43Å; Y794-R796 VanDerWaalsContact O-N 3.15Å; Y794-R796 WeakPolarHBondContact OH-CD 3.08Å; Y794-R796 PolarHBondContact OH-NE 3.01Å
797D87Confident92.2Very high53 Ų5335 Ų3528%0.28317%0.167SC..THydrogen-bonded Turntrans-118.9-6.6-179.869.7-1.8000113.5Y794 K799 Y801Y794-D797 HydrophobicContact CD1-CB 4.49Å; Y794-D797 WeakPolarHBondContact CD1-OD1 3.4Å; D797-K799 HydrophobicContact CB-CG 4.22Å; D797-K799 PolarHBondContact O-N 2.97Å; D797-K799 VanDerWaalsContact O-N 3.17Å; D797-K799 WeakPolarHBondContact OD1-CB 3.21Å; D797-K799 PolarHBondContact OD1-N 3.33Å; D797-K799 WeakPolarHBondContact OD2-CD 3.28Å; D797-K799 VanDerWaalsContact OD2-CE 3.24Å; D797-K799 WeakPolarHBondContact OD2-CE 3.48Å; D797-K799 WeakPolarHBondContact OD2-CG 3.45Å; D797-K799 IonicContact OD2-NZ 2.8Å; D797-Y801 PolarHBondContact OD2-OH 3.37Å
798N89.3Confident92.7Very high100 Ų10034.4 Ų34.454%0.53516%0.16SC..  trans59.910.3-173.4-64-75.5000115.2Q793 Y794 Y800Q793-N798 WeakPolarHBondContact CG-O 3.3Å; Q793-N798 PolarHBondContact NE2-O 3.29Å; Q793-N798 PolarHBondContact NE2-OD1 3.02Å; Y794-N798 WeakPolarHBondContact O-CA 3.38Å; Y794-N798 PolarHBondContact O-N 3.21Å; N798-Y800 WeakPolarHBondContact O-CE2 3.37Å
799K92.7Very high92.6Very high96 Ų9634.4 Ų34.442%0.41716%0.162SC..  trans-75.6163175.3-61.1-171-141.81520111.1Q793 Y794 D797 Y801 V1102Q793-K799 CarbonylContact C-O 3.55Å; Q793-K799 WeakPolarHBondContact CA-O 3.33Å; Q793-K799 WeakPolarHBondContact CG-O 3.43Å; Y794-K799 PolarHBondContact N-O 2.87Å; D797-K799 HydrophobicContact CB-CG 4.22Å; D797-K799 PolarHBondContact O-N 2.97Å; D797-K799 VanDerWaalsContact O-N 3.17Å; D797-K799 WeakPolarHBondContact OD1-CB 3.21Å; D797-K799 PolarHBondContact OD1-N 3.33Å; D797-K799 WeakPolarHBondContact OD2-CD 3.28Å; D797-K799 VanDerWaalsContact OD2-CE 3.24Å; D797-K799 WeakPolarHBondContact OD2-CE 3.48Å; D797-K799 WeakPolarHBondContact OD2-CG 3.45Å; D797-K799 IonicContact OD2-NZ 2.8Å; K799-Y801 HydrophobicContact CB-CE2 3.76Å; K799-Y801 WeakPolarHBondContact CD-OH 3.34Å; K799-V1102 PolarHBondContact NZ-O 3.39Å
800Y94.5Very high92.2Very high38 Ų3834.2 Ų34.215%0.14916%0.159CC..EExtended strand (participates in β ladder)trans-112.9135.9-176.9-70-93.2000111.4V778 L791 Q793 N798 P1058 E1059V778-Y800 HydrophobicContact CG2-CE1 4.18Å; L791-Y800 HydrophobicContact CD1-CD1 4.06Å; L791-Y800 HydrophobicContact CG-CD1 4.45Å; Q793-Y800 HydrophobicContact CB-CD1 3.96Å; Q793-Y800 HydrophobicContact CB-CE1 3.58Å; Q793-Y800 HydrophobicContact CG-CD1 4.22Å; Q793-Y800 HydrophobicContact CG-CD2 4.35Å; Q793-Y800 HydrophobicContact CG-CE1 3.77Å; Q793-Y800 HydrophobicContact CG-CE2 3.93Å; Q793-Y800 HydrophobicContact CG-CG 4.49Å; Q793-Y800 PolarHBondContact NE2-OH 3.11Å; N798-Y800 WeakPolarHBondContact O-CE2 3.37Å; Y800-P1058 HydrophobicContact CD2-CB 3.72Å; Y800-P1058 HydrophobicContact CD2-CG 4.41Å; Y800-P1058 HydrophobicContact CE2-CB 3.71Å; Y800-P1058 HydrophobicContact CE2-CG 3.89Å; Y800-P1058 HydrophobicContact CG-CB 4.44Å; Y800-E1059 HydrophobicContact CD1-CG 4.46Å; Y800-E1059 HydrophobicContact CE1-CG 3.52Å; Y800-E1059 WeakPolarHBondContact OH-CG 3.45Å; Y800-E1059 PolarHBondContact OH-OE1 2.91Å
801Y95.1Very high91.9Very high13 Ų1334.4 Ų34.45%0.05116%0.16CC..EExtended strand (participates in β ladder)trans-135.9150.5-173.1-59.5-76.6000111F775 S792 Y794 D797 K799 I842 V854 M855F775-Y801 HydrophobicContact CE1-CD2 4.13Å; S792-Y801 PolarHBondContact N-O 3.13Å; S792-Y801 PolarHBondContact O-N 2.92Å; Y794-Y801 HydrophobicContact CD1-CE2 4.38Å; Y794-Y801 HydrophobicContact CG-CE2 4.38Å; D797-Y801 PolarHBondContact OD2-OH 3.37Å; K799-Y801 HydrophobicContact CB-CE2 3.76Å; K799-Y801 WeakPolarHBondContact CD-OH 3.34Å; Y801-I842 HydrophobicContact CD1-CD1 3.7Å; Y801-I842 HydrophobicContact CD1-CG1 4.09Å; Y801-I842 HydrophobicContact CE1-CB 4.44Å; Y801-I842 HydrophobicContact CE1-CD1 3.85Å; Y801-I842 HydrophobicContact CE1-CG1 3.77Å; Y801-I842 HydrophobicContact CE1-CG2 4.41Å; Y801-V854 HydrophobicContact CD1-CG1 4.18Å; Y801-V854 HydrophobicContact CD2-CG1 4.47Å; Y801-V854 HydrophobicContact CG-CG1 3.87Å; Y801-M855 WeakPolarHBondContact CA-O 3.39Å; Y801-M855 WeakPolarHBondContact CB-O 3.36Å
802A95.3Very high91.5Very high9 Ų936.5 Ų36.57%0.07417%0.171CC..EExtended strand (participates in β ladder)trans-95.2108.6173.800000109.7L781 V789 M855L781-A802 HydrophobicContact CD1-CB 4.28Å; V789-A802 HydrophobicContact CG1-CB 4.02Å; A802-M855 HydrophobicContact CB-CE 4.4Å; A802-M855 PolarHBondContact N-O 3.12Å; A802-M855 WeakPolarHBondContact O-CB 3.48Å; A802-M855 PolarHBondContact O-N 3.14Å
803I95.2Very high91Very high0 Ų041.3 Ų41.30%019%0.192CC..EExtended strand (participates in β ladder)trans-94.8105.7-178.6-55.3-173.3000110.2F775 V789 L790 S792 S805 M852 F853 V854F775-I803 HydrophobicContact CB-CD1 4.32Å; F775-I803 HydrophobicContact CD1-CD1 3.78Å; F775-I803 HydrophobicContact CD2-CD1 4.03Å; F775-I803 HydrophobicContact CE1-CD1 4Å; F775-I803 HydrophobicContact CE2-CD1 4.26Å; F775-I803 HydrophobicContact CG-CD1 3.78Å; F775-I803 HydrophobicContact CZ-CD1 4.25Å; V789-I803 CarbonylContact C-O 3.59Å; V789-I803 WeakPolarHBondContact CA-O 3.35Å; L790-I803 PolarHBondContact N-O 3.25Å; L790-I803 PolarHBondContact O-N 3.2Å; S792-I803 WeakPolarHBondContact OG-CD1 3.26Å; I803-S805 PolarHBondContact O-N 2.92Å; I803-M852 HydrophobicContact CG2-CB 4.04Å; I803-F853 CarbonylContact C-O 3.59Å; I803-F853 VanDerWaalsContact CA-O 3.28Å; I803-F853 WeakPolarHBondContact CA-O 3.49Å; I803-V854 HydrophobicContact CD1-CG2 4.4Å; I803-V854 HydrophobicContact CG1-CG1 4.48Å; I803-V854 HydrophobicContact CG1-CG2 4.32Å
804K94.4Very high90.3Very high23 Ų2344.5 Ų44.510%0.120%0.203CC..EExtended strand (participates in β ladder)trans-80.8105.1171.5175.3176.5170.9-176.10108.7V789 L806 E823 F853 M855 D918V789-K804 HydrophobicContact CG2-CB 4.39Å; K804-L806 HydrophobicContact CG-CD2 4.19Å; K804-L806 HydrophobicContact CG-CG 4.32Å; K804-E823 IonicContact NZ-OE1 3.58Å; K804-E823 PolarHBondContact NZ-OE1 2.95Å; K804-E823 IonicContact NZ-OE2 3.62Å; K804-E823 PolarHBondContact NZ-OE2 3.44Å; K804-F853 HydrophobicContact CB-CB 4.32Å; K804-F853 HydrophobicContact CD-CD2 4.46Å; K804-F853 HydrophobicContact CG-CD2 4.47Å; K804-F853 PolarHBondContact N-O 3.34Å; K804-F853 PolarHBondContact O-N 3.02Å; K804-M855 HydrophobicContact CB-CE 3.68Å; K804-M855 HydrophobicContact CB-SD 4.44Å; K804-D918 IonicContact NZ-OD1 2.72Å; K804-D918 PolarHBondContact NZ-OD1 2.88Å
805S93.7Very high89.9Confident6 Ų650 Ų504%0.04223%0.234CC..EExtended strand (participates in β ladder)trans-101.8121.2-177.8-178.70000111.4G787 K788 I803 M852 L1075G787-S805 CarbonylContact C-O 3.46Å; G787-S805 WeakPolarHBondContact CA-O 3.37Å; K788-S805 PolarHBondContact N-O 2.63Å; K788-S805 PolarHBondContact O-N 3.4Å; I803-S805 PolarHBondContact O-N 2.92Å; S805-M852 WeakPolarHBondContact CB-SD 3.32Å; S805-M852 PolarHBondContact OG-SD 3.13Å; S805-L1075 WeakPolarHBondContact OG-CD2 3.29Å
806L92.2Very high89.7Confident14 Ų1447.4 Ų47.47%0.07322%0.222CC..EExtended strand (participates in β ladder)trans-121.9146-176.3-50.9165000110.8F786 K804 I811 L820 H850 V851 F853F786-L806 HydrophobicContact CB-CD2 3.74Å; K804-L806 HydrophobicContact CG-CD2 4.19Å; K804-L806 HydrophobicContact CG-CG 4.32Å; L806-I811 HydrophobicContact CB-CD1 3.95Å; L806-L820 HydrophobicContact CD1-CD1 3.54Å; L806-H850 CarbonylContact O-C 3.51Å; L806-H850 WeakPolarHBondContact O-CA 3.44Å; L806-H850 WeakPolarHBondContact O-CB 3.3Å; L806-V851 HydrophobicContact CB-CG2 3.86Å; L806-V851 HydrophobicContact CD1-CG2 4.32Å; L806-V851 PolarHBondContact N-O 3.2Å; L806-V851 PolarHBondContact O-N 3.45Å; L806-F853 HydrophobicContact CD1-CD2 4.16Å; L806-F853 HydrophobicContact CD1-CE2 3.74Å
807K90.7Very high89.9Confident52 Ų5242.4 Ų42.423%0.22621%0.205CC..EExtended strand (participates in β ladder)trans-87117.8-178.2-64.7176.4178.3-168.60112F786 A809 E810 I811 T1076 T1078F786-K807 PolarHBondContact O-N 3.15Å; K807-A809 VanDerWaalsContact C-N 3.26Å; K807-A809 PolarHBondContact O-N 2.93Å; K807-E810 HydrophobicContact CB-CB 4.2Å; K807-E810 PolarHBondContact O-N 3.33Å; K807-I811 WeakPolarHBondContact O-CG1 3.26Å; K807-I811 PolarHBondContact O-N 3.08Å; K807-T1076 WeakPolarHBondContact CE-O 3.28Å; K807-T1078 HydrophobicContact CB-CG2 4.3Å; K807-T1078 HydrophobicContact CD-CG2 4.12Å; K807-T1078 HydrophobicContact CG-CG2 4.08Å
808K91.5Very high90Very high2 Ų245.1 Ų45.11%0.00922%0.22CC..Hα-helixtrans-51.9-44.3177.9-73.3-179.4162.4-179.10112.5E810 I811 I812 T847 E849 V851 L1084 F1092K808-E810 VanDerWaalsContact C-N 3.27Å; K808-E810 PolarHBondContact O-N 2.87Å; K808-I811 PolarHBondContact O-N 3.03Å; K808-I812 PolarHBondContact O-N 3.47Å; K808-T847 WeakPolarHBondContact CE-O 3.39Å; K808-T847 PolarHBondContact NZ-O 2.83Å; K808-E849 WeakPolarHBondContact CB-O 3.36Å; K808-E849 PolarHBondContact N-O 3.13Å; K808-V851 HydrophobicContact CD-CG1 4.43Å; K808-V851 HydrophobicContact CG-CG1 3.91Å; K808-L1084 HydrophobicContact CB-CD1 3.47Å; K808-L1084 VanDerWaalsContact CB-CD1 3.47Å; K808-L1084 HydrophobicContact CD-CD1 4.32Å; K808-F1092 HydrophobicContact CB-CD2 4.44Å; K808-F1092 HydrophobicContact CB-CE2 3.66Å; K808-F1092 HydrophobicContact CB-CZ 3.72Å; K808-F1092 HydrophobicContact CD-CD2 3.69Å; K808-F1092 HydrophobicContact CD-CE2 3.77Å; K808-F1092 HydrophobicContact CD-CG 4.21Å; K808-F1092 HydrophobicContact CD-CZ 4.37Å; K808-F1092 HydrophobicContact CG-CD1 4.39Å; K808-F1092 HydrophobicContact CG-CD2 3.94Å; K808-F1092 HydrophobicContact CG-CE1 4.11Å; K808-F1092 HydrophobicContact CG-CE2 3.61Å; K808-F1092 HydrophobicContact CG-CG 4.31Å; K808-F1092 HydrophobicContact CG-CZ 3.7Å
809A87.9Confident89.9Confident13 Ų1343.6 Ų43.611%0.10721%0.214CC..Hα-helixtrans-71.3-13.3-17800000114.9K807 F813 R1081 L1084K807-A809 VanDerWaalsContact C-N 3.26Å; K807-A809 PolarHBondContact O-N 2.93Å; A809-F813 WeakPolarHBondContact O-CB 3.26Å; A809-R1081 PolarHBondContact O-NH1 2.92Å; A809-L1084 HydrophobicContact CB-CD1 4.39Å; A809-L1084 HydrophobicContact CB-CD2 3.95Å; A809-L1084 HydrophobicContact CB-CG 4.22Å
810E85.7Confident89.9Confident33 Ų3339.3 Ų39.315%0.15420%0.196CC..Hα-helixtrans-89.7-38170.4-172.565.8-17100111.1H785 F786 K807 K808 F813 R814 R1081H785-E810 IonicContact CE1-OE1 3.58Å; F786-E810 HydrophobicContact CD1-CG 4.06Å; K807-E810 HydrophobicContact CB-CB 4.2Å; K807-E810 PolarHBondContact O-N 3.33Å; K808-E810 VanDerWaalsContact C-N 3.27Å; K808-E810 PolarHBondContact O-N 2.87Å; E810-F813 PolarHBondContact O-N 3.34Å; E810-R814 WeakPolarHBondContact O-CG 3.47Å; E810-R814 PolarHBondContact O-N 3.34Å; E810-R814 IonicContact OE1-CZ 3.64Å; E810-R814 IonicContact OE1-NE 2.83Å; E810-R814 PolarHBondContact OE1-NE 3.48Å; E810-R814 IonicContact OE1-NH2 3.68Å; E810-R814 PolarHBondContact OE1-NH2 2.89Å; E810-R1081 IonicContact OE2-CZ 3.88Å; E810-R1081 IonicContact OE2-NH1 2.72Å; E810-R1081 PolarHBondContact OE2-NH1 3.37Å; E810-R1081 IonicContact OE2-NH2 3.18Å; E810-R1081 PolarHBondContact OE2-NH2 2.96Å
811I87.5Confident89.7Confident5 Ų539.2 Ų39.23%0.02620%0.197CC..Hα-helixtrans-61.1-47.9176.6-62.9159.5000110.8L806 K807 K808 R814 N815 E816 V817 L820 V851 F1092L806-I811 HydrophobicContact CB-CD1 3.95Å; K807-I811 WeakPolarHBondContact O-CG1 3.26Å; K807-I811 PolarHBondContact O-N 3.08Å; K808-I811 PolarHBondContact O-N 3.03Å; I811-R814 PolarHBondContact O-N 3.14Å; I811-N815 PolarHBondContact O-N 2.86Å; I811-N815 VanDerWaalsContact O-N 3.16Å; I811-E816 HydrophobicContact CG2-CB 4.2Å; I811-E816 PolarHBondContact O-N 3.22Å; I811-V817 HydrophobicContact CG2-CG2 3.99Å; I811-L820 HydrophobicContact CD1-CD1 4.21Å; I811-L820 HydrophobicContact CD1-CD2 4.24Å; I811-L820 HydrophobicContact CG2-CB 4.49Å; I811-V851 HydrophobicContact CD1-CG2 3.86Å; I811-F1092 HydrophobicContact CG2-CE1 4.41Å
812I88.3Confident89.6Confident44 Ų4439.8 Ų39.823%0.22620%0.202CC..Hα-helixtrans-63.7-44.9176.5-68.7158.5000111.4K808 R814 N815 V817 L1084 D1088 F1092K808-I812 PolarHBondContact O-N 3.47Å; I812-R814 PolarHBondContact O-N 2.85Å; I812-N815 PolarHBondContact O-N 2.91Å; I812-V817 HydrophobicContact CG1-CG2 4.2Å; I812-L1084 HydrophobicContact CD1-CD1 3.85Å; I812-L1084 HydrophobicContact CD1-CD2 3.77Å; I812-L1084 HydrophobicContact CD1-CG 4.44Å; I812-D1088 HydrophobicContact CD1-CB 3.81Å; I812-F1092 HydrophobicContact CD1-CE2 3.64Å; I812-F1092 HydrophobicContact CD1-CZ 3.97Å; I812-F1092 HydrophobicContact CG1-CE2 4.14Å; I812-F1092 HydrophobicContact CG1-CZ 3.99Å
813F84.8Confident89.5Confident101 Ų10139.9 Ų39.944%0.44320%0.201SC..Hα-helixtrans-60.3-20.3-178.9177.1-100.6000113.6A809 E810A809-F813 WeakPolarHBondContact O-CB 3.26Å; E810-F813 PolarHBondContact O-N 3.34Å
814R79.9Confident89.5Confident85 Ų8540.6 Ų40.632%0.32120%0.204SC..THydrogen-bonded Turntrans-107.2-1.1178.2-67172167.9-85.2-12.4114.2H785 E810 I811 I812 E816H785-R814 PolarHBondContact CE1-NE 3.23Å; H785-R814 PolarHBondContact CE1-NH2 3.44Å; H785-R814 PolarHBondContact NE2-NH2 3.29Å; E810-R814 WeakPolarHBondContact O-CG 3.47Å; E810-R814 PolarHBondContact O-N 3.34Å; E810-R814 IonicContact OE1-CZ 3.64Å; E810-R814 IonicContact OE1-NE 2.83Å; E810-R814 PolarHBondContact OE1-NE 3.48Å; E810-R814 IonicContact OE1-NH2 3.68Å; E810-R814 PolarHBondContact OE1-NH2 2.89Å; I811-R814 PolarHBondContact O-N 3.14Å; I812-R814 PolarHBondContact O-N 2.85Å; R814-E816 VanDerWaalsContact C-N 3.3Å; R814-E816 HydrophobicContact CB-CB 4.48Å; R814-E816 HydrophobicContact CB-CG 3.76Å; R814-E816 WeakPolarHBondContact CB-OE1 3.32Å; R814-E816 WeakPolarHBondContact CD-OE1 3.5Å; R814-E816 PolarHBondContact O-N 3.38Å
815N85.3Confident89.5Confident135 Ų13544.2 Ų44.272%0.72222%0.217SC*.THydrogen-bonded Turntrans58.236.2-173.5-160.458.8000113.8I811 I812I811-N815 PolarHBondContact O-N 2.86Å; I811-N815 VanDerWaalsContact O-N 3.16Å; I812-N815 PolarHBondContact O-N 2.91Å
816E87.1Confident89.6Confident49 Ų4943.9 Ų43.923%0.22922%0.215CC..  trans-98.915.8-175-69.6172.5-166.900113.5F786 I811 R814 D818 T819 L820F786-E816 WeakPolarHBondContact CE1-OE2 3.33Å; F786-E816 WeakPolarHBondContact CZ-OE2 3.3Å; I811-E816 HydrophobicContact CG2-CB 4.2Å; I811-E816 PolarHBondContact O-N 3.22Å; R814-E816 VanDerWaalsContact C-N 3.3Å; R814-E816 HydrophobicContact CB-CB 4.48Å; R814-E816 HydrophobicContact CB-CG 3.76Å; R814-E816 WeakPolarHBondContact CB-OE1 3.32Å; R814-E816 WeakPolarHBondContact CD-OE1 3.5Å; R814-E816 PolarHBondContact O-N 3.38Å; E816-D818 VanDerWaalsContact C-N 3.35Å; E816-D818 PolarHBondContact O-N 3.21Å; E816-T819 WeakPolarHBondContact O-CB 3.41Å; E816-T819 PolarHBondContact O-N 2.82Å; E816-L820 PolarHBondContact O-N 2.95Å
817V90Very high89.8Confident19 Ų1943.3 Ų43.312%0.11521%0.212CC..Hα-helixtrans-59.1-44.7-179.8175.60000111.3I811 I812 T819 L820 L821 N1091I811-V817 HydrophobicContact CG2-CG2 3.99Å; I812-V817 HydrophobicContact CG1-CG2 4.2Å; V817-T819 VanDerWaalsContact C-N 3.3Å; V817-T819 PolarHBondContact O-N 2.71Å; V817-L820 WeakPolarHBondContact O-CB 3.1Å; V817-L820 PolarHBondContact O-N 2.81Å; V817-L821 HydrophobicContact CG1-CD1 4.05Å; V817-L821 WeakPolarHBondContact O-CG 3.5Å; V817-L821 PolarHBondContact O-N 2.95Å; V817-N1091 HydrophobicContact CG1-CB 4.11Å; V817-N1091 HydrophobicContact CG2-CB 4.44Å
818D88.3Confident89.9Confident111 Ų11142.9 Ų42.959%0.59421%0.211SC*.Hα-helixtrans-65.5-34.8178.1-67.9-41.9000112.1E816 L821 T822E816-D818 VanDerWaalsContact C-N 3.35Å; E816-D818 PolarHBondContact O-N 3.21Å; D818-L821 PolarHBondContact O-N 2.78Å; D818-T822 VanDerWaalsContact O-CB 3.28Å; D818-T822 WeakPolarHBondContact O-CB 3.31Å; D818-T822 PolarHBondContact O-N 3.31Å; D818-T822 PolarHBondContact O-OG1 2.85Å
819T88.2Confident90.1Very high67 Ų6745.1 Ų45.141%0.41122%0.223SC..Hα-helixtrans-63.5-46.2174.3-500000111E816 V817 L821 T822 E823 G920E816-T819 WeakPolarHBondContact O-CB 3.41Å; E816-T819 PolarHBondContact O-N 2.82Å; V817-T819 VanDerWaalsContact C-N 3.3Å; V817-T819 PolarHBondContact O-N 2.71Å; T819-L821 PolarHBondContact O-N 2.95Å; T819-T822 WeakPolarHBondContact O-CB 3.36Å; T819-T822 PolarHBondContact O-N 2.83Å; T819-E823 PolarHBondContact O-N 3.01Å; T819-G920 VanDerWaalsContact CG2-O 3.25Å; T819-G920 WeakPolarHBondContact CG2-O 3.34Å
820L91.6Very high90.5Very high7 Ų744.5 Ų44.54%0.03722%0.218CC..Hα-helixtrans-58.5-46.8174.5177.182.7000111.9L806 I811 E816 V817 T822 E823 K824 V851 F853 F1092 F1095L806-L820 HydrophobicContact CD1-CD1 3.54Å; I811-L820 HydrophobicContact CD1-CD1 4.21Å; I811-L820 HydrophobicContact CD1-CD2 4.24Å; I811-L820 HydrophobicContact CG2-CB 4.49Å; E816-L820 PolarHBondContact O-N 2.95Å; V817-L820 WeakPolarHBondContact O-CB 3.1Å; V817-L820 PolarHBondContact O-N 2.81Å; L820-T822 VanDerWaalsContact C-N 3.26Å; L820-T822 PolarHBondContact O-N 3.07Å; L820-E823 PolarHBondContact O-N 2.85Å; L820-K824 PolarHBondContact O-N 2.78Å; L820-V851 HydrophobicContact CD1-CG2 3.84Å; L820-V851 HydrophobicContact CD2-CG1 4.41Å; L820-V851 HydrophobicContact CD2-CG2 3.97Å; L820-F853 HydrophobicContact CD1-CE2 3.62Å; L820-F853 HydrophobicContact CD1-CZ 3.8Å; L820-F853 HydrophobicContact CG-CZ 4.45Å; L820-F1092 HydrophobicContact CD2-CD1 3.86Å; L820-F1092 HydrophobicContact CD2-CE1 3.75Å; L820-F1095 HydrophobicContact CD1-CE2 4.03Å; L820-F1095 HydrophobicContact CD2-CD2 3.85Å; L820-F1095 HydrophobicContact CD2-CE2 3.91Å; L820-F1095 HydrophobicContact CG-CD2 4.27Å; L820-F1095 HydrophobicContact CG-CE2 3.94Å
821L92Very high90.9Very high35 Ų3543 Ų4318%0.18321%0.21CC..Hα-helixtrans-69-27.7179.8-66.8175.6000111.9V817 D818 T819 R825V817-L821 HydrophobicContact CG1-CD1 4.05Å; V817-L821 WeakPolarHBondContact O-CG 3.5Å; V817-L821 PolarHBondContact O-N 2.95Å; D818-L821 PolarHBondContact O-N 2.78Å; T819-L821 PolarHBondContact O-N 2.95Å; L821-R825 WeakPolarHBondContact O-CG 3.17Å; L821-R825 PolarHBondContact O-N 3.35Å; L821-R825 VanDerWaalsContact O-N 3.12Å; L821-R825 PolarHBondContact O-NH1 2.93Å
822T91.7Very high91.2Very high26 Ų2647.8 Ų47.816%0.1624%0.236CC..Hα-helixtrans-71.6-46.2172.2-56.50000111.2D818 T819 L820 K824 R825 I826 E924D818-T822 VanDerWaalsContact O-CB 3.28Å; D818-T822 WeakPolarHBondContact O-CB 3.31Å; D818-T822 PolarHBondContact O-N 3.31Å; D818-T822 PolarHBondContact O-OG1 2.85Å; T819-T822 WeakPolarHBondContact O-CB 3.36Å; T819-T822 PolarHBondContact O-N 2.83Å; L820-T822 VanDerWaalsContact C-N 3.26Å; L820-T822 PolarHBondContact O-N 3.07Å; T822-K824 VanDerWaalsContact C-N 3.27Å; T822-K824 PolarHBondContact O-N 3.14Å; T822-R825 PolarHBondContact O-N 3.35Å; T822-R825 VanDerWaalsContact O-N 3.16Å; T822-R825 PolarHBondContact OG1-NH2 3.29Å; T822-I826 HydrophobicContact CG2-CD1 3.86Å; T822-I826 HydrophobicContact CG2-CG1 4.45Å; T822-I826 WeakPolarHBondContact O-CG1 3.41Å; T822-I826 PolarHBondContact O-N 2.88Å; T822-E924 HydrophobicContact CG2-CG 4.11Å
823E94.4Very high91.5Very high10 Ų1047.9 Ų47.95%0.04724%0.244CC..Hα-helixtrans-55.7-43.1172.3177.2168.1-15600111K804 T819 L820 I826 L827 F853 F919K804-E823 IonicContact NZ-OE1 3.58Å; K804-E823 PolarHBondContact NZ-OE1 2.95Å; K804-E823 IonicContact NZ-OE2 3.62Å; K804-E823 PolarHBondContact NZ-OE2 3.44Å; T819-E823 PolarHBondContact O-N 3.01Å; L820-E823 PolarHBondContact O-N 2.85Å; E823-I826 PolarHBondContact O-N 3.31Å; E823-L827 HydrophobicContact CG-CD1 3.93Å; E823-L827 WeakPolarHBondContact O-CB 3.49Å; E823-L827 WeakPolarHBondContact O-CG 3.27Å; E823-L827 PolarHBondContact O-N 2.75Å; E823-F853 HydrophobicContact CG-CZ 4.22Å; E823-F919 HydrophobicContact CG-CB 4.31Å
824K94.4Very high91.9Very high16 Ų1648.6 Ų48.67%0.0725%0.248CC..Hα-helixtrans-56.8-53.4173.1177.3179.2167.9174.50112.3L820 T822 I826 L827 Q828 F853 N1094 F1095 D1096L820-K824 PolarHBondContact O-N 2.78Å; T822-K824 VanDerWaalsContact C-N 3.27Å; T822-K824 PolarHBondContact O-N 3.14Å; K824-I826 VanDerWaalsContact C-N 3.33Å; K824-I826 PolarHBondContact O-N 2.83Å; K824-L827 PolarHBondContact O-N 2.91Å; K824-Q828 HydrophobicContact CG-CG 4.42Å; K824-Q828 WeakPolarHBondContact O-CG 3.19Å; K824-Q828 PolarHBondContact O-N 2.95Å; K824-F853 HydrophobicContact CB-CE1 3.9Å; K824-F853 HydrophobicContact CB-CZ 4.39Å; K824-N1094 PolarHBondContact NZ-O 3.23Å; K824-F1095 WeakPolarHBondContact CD-O 3.29Å; K824-F1095 WeakPolarHBondContact CE-O 3.04Å; K824-F1095 PolarHBondContact NZ-O 3.15Å; K824-D1096 PolarHBondContact NZ-O 3.18Å
825R94.8Very high92.7Very high98 Ų9845.3 Ų45.337%0.3724%0.237SC..Hα-helixtrans-60.7-42.4-177.3-72.8-173.1-54.1-86.94.1112L821 T822 Q828 I829 E924L821-R825 WeakPolarHBondContact O-CG 3.17Å; L821-R825 PolarHBondContact O-N 3.35Å; L821-R825 VanDerWaalsContact O-N 3.12Å; L821-R825 PolarHBondContact O-NH1 2.93Å; T822-R825 PolarHBondContact O-N 3.35Å; T822-R825 VanDerWaalsContact O-N 3.16Å; T822-R825 PolarHBondContact OG1-NH2 3.29Å; R825-Q828 WeakPolarHBondContact O-CB 3.24Å; R825-Q828 PolarHBondContact O-N 2.92Å; R825-I829 WeakPolarHBondContact O-CG1 3.36Å; R825-I829 PolarHBondContact O-N 2.9Å; R825-E924 IonicContact CZ-OE2 2.76Å; R825-E924 IonicContact NE-OE1 3.47Å; R825-E924 PolarHBondContact NE-OE1 3.45Å; R825-E924 IonicContact NE-OE2 3.81Å; R825-E924 PolarHBondContact NE-OE2 3.47Å; R825-E924 IonicContact NH2-OE2 2.87Å; R825-E924 PolarHBondContact NH2-OE2 2.94Å
826I95.6Very high93.2Very high0 Ų040 Ų400%021%0.209CC..Hα-helixtrans-62-47177.9-67.9174.1000110.5T822 E823 K824 Q828 I829 I830 L891 I896 F919 C922 E924T822-I826 HydrophobicContact CG2-CD1 3.86Å; T822-I826 HydrophobicContact CG2-CG1 4.45Å; T822-I826 WeakPolarHBondContact O-CG1 3.41Å; T822-I826 PolarHBondContact O-N 2.88Å; E823-I826 PolarHBondContact O-N 3.31Å; K824-I826 VanDerWaalsContact C-N 3.33Å; K824-I826 PolarHBondContact O-N 2.83Å; I826-Q828 VanDerWaalsContact C-N 3.32Å; I826-Q828 PolarHBondContact O-N 2.84Å; I826-I829 PolarHBondContact O-N 2.87Å; I826-I830 HydrophobicContact CG2-CD1 3.93Å; I826-I830 VanDerWaalsContact O-CG1 3.3Å; I826-I830 WeakPolarHBondContact O-CG1 3.29Å; I826-I830 PolarHBondContact O-N 3.15Å; I826-L891 HydrophobicContact CG2-CD2 4.46Å; I826-I896 HydrophobicContact CD1-CG2 3.8Å; I826-I896 HydrophobicContact CG1-CD1 4.02Å; I826-I896 HydrophobicContact CG1-CG1 4.44Å; I826-I896 HydrophobicContact CG1-CG2 4.26Å; I826-I896 HydrophobicContact CG2-CD1 4.25Å; I826-I896 HydrophobicContact CG2-CG2 4.38Å; I826-F919 HydrophobicContact CG2-CB 4.14Å; I826-F919 HydrophobicContact CG2-CD1 4.08Å; I826-F919 HydrophobicContact CG2-CG 4.23Å; I826-C922 HydrophobicContact CD1-CB 3.38Å; I826-E924 HydrophobicContact CD1-CG 3.99Å; I826-E924 HydrophobicContact CG1-CG 3.79Å
827L95.2Very high93.7Very high1 Ų137.6 Ų37.61%0.00520%0.198CC..Hα-helixtrans-61.4-36175.3-79.8171000113.2E823 K824 I830 T831 L841 F853 F919E823-L827 HydrophobicContact CG-CD1 3.93Å; E823-L827 WeakPolarHBondContact O-CB 3.49Å; E823-L827 WeakPolarHBondContact O-CG 3.27Å; E823-L827 PolarHBondContact O-N 2.75Å; K824-L827 PolarHBondContact O-N 2.91Å; L827-I830 PolarHBondContact O-N 3.24Å; L827-T831 PolarHBondContact O-N 3.35Å; L827-T831 PolarHBondContact O-OG1 3.4Å; L827-L841 HydrophobicContact CB-CB 3.85Å; L827-L841 HydrophobicContact CB-CD2 3.67Å; L827-L841 HydrophobicContact CB-CG 4.31Å; L827-L841 HydrophobicContact CD1-CD1 4.5Å; L827-L841 HydrophobicContact CD1-CD2 4.49Å; L827-L841 HydrophobicContact CD2-CB 4.34Å; L827-L841 HydrophobicContact CG-CB 4.49Å; L827-F853 HydrophobicContact CD1-CD1 3.88Å; L827-F853 HydrophobicContact CD1-CE1 4.09Å; L827-F853 HydrophobicContact CD1-CG 4.48Å; L827-F919 HydrophobicContact CD2-CD2 3.52Å; L827-F919 HydrophobicContact CD2-CE2 3.79Å; L827-F919 HydrophobicContact CD2-CG 4.49Å; L827-F919 HydrophobicContact CG-CD2 4.11Å
828Q94.8Very high94Very high44 Ų4436.7 Ų36.721%0.20619%0.193CC..Hα-helixtrans-64.8-46.3172.9-68.3176-7400111.4K824 R825 I826 I830 T831 D832 L841 Y1097K824-Q828 HydrophobicContact CG-CG 4.42Å; K824-Q828 WeakPolarHBondContact O-CG 3.19Å; K824-Q828 PolarHBondContact O-N 2.95Å; R825-Q828 WeakPolarHBondContact O-CB 3.24Å; R825-Q828 PolarHBondContact O-N 2.92Å; I826-Q828 VanDerWaalsContact C-N 3.32Å; I826-Q828 PolarHBondContact O-N 2.84Å; Q828-I830 PolarHBondContact O-N 3.19Å; Q828-T831 PolarHBondContact O-N 3.21Å; Q828-D832 WeakPolarHBondContact O-CB 3.41Å; Q828-D832 VanDerWaalsContact O-CG 3.25Å; Q828-D832 PolarHBondContact O-N 2.89Å; Q828-L841 HydrophobicContact CG-CD2 4.21Å; Q828-Y1097 HydrophobicContact CG-CD1 4.19Å; Q828-Y1097 HydrophobicContact CG-CD2 4.43Å; Q828-Y1097 HydrophobicContact CG-CE1 3.98Å; Q828-Y1097 HydrophobicContact CG-CE2 4.21Å; Q828-Y1097 HydrophobicContact CG-CG 4.41Å; Q828-Y1097 VanDerWaalsContact NE2-CE2 3.31Å
829I95.2Very high94.4Very high49 Ų4931.7 Ų31.725%0.25117%0.166SC..Hα-helixtrans-60-33.7177-67.9162.8000111.9R825 I826 F890 K894 I896R825-I829 WeakPolarHBondContact O-CG1 3.36Å; R825-I829 PolarHBondContact O-N 2.9Å; I826-I829 PolarHBondContact O-N 2.87Å; I829-F890 HydrophobicContact CG2-CE1 4.44Å; I829-F890 HydrophobicContact CG2-CZ 4.26Å; I829-K894 HydrophobicContact CG2-CB 4.31Å; I829-K894 HydrophobicContact CG2-CD 3.84Å; I829-K894 HydrophobicContact CG2-CG 3.78Å; I829-I896 HydrophobicContact CD1-CD1 4.36Å; I829-I896 HydrophobicContact CG2-CD1 4.49Å
830I95.8Very high94.7Very high0 Ų029.4 Ų29.40%015%0.151CC..Hα-helixtrans-69-52.2174.6-68.8165.6000110.8I826 L827 Q828 D832 A833 Q834 L838 F890 L891 F919I826-I830 HydrophobicContact CG2-CD1 3.93Å; I826-I830 VanDerWaalsContact O-CG1 3.3Å; I826-I830 WeakPolarHBondContact O-CG1 3.29Å; I826-I830 PolarHBondContact O-N 3.15Å; L827-I830 PolarHBondContact O-N 3.24Å; Q828-I830 PolarHBondContact O-N 3.19Å; I830-D832 VanDerWaalsContact C-N 3.35Å; I830-D832 PolarHBondContact O-N 2.89Å; I830-A833 CarbonylContact O-C 3.57Å; I830-A833 PolarHBondContact O-N 3.1Å; I830-A833 VanDerWaalsContact O-N 3.12Å; I830-Q834 PolarHBondContact O-N 2.68Å; I830-L838 HydrophobicContact CD1-CB 4.35Å; I830-L838 HydrophobicContact CD1-CD1 4.07Å; I830-L838 HydrophobicContact CG1-CB 4.5Å; I830-L838 HydrophobicContact CG1-CD1 3.83Å; I830-L838 HydrophobicContact CG2-CB 3.59Å; I830-L838 HydrophobicContact CG2-CD1 4.2Å; I830-F890 HydrophobicContact CG1-CE1 3.99Å; I830-L891 HydrophobicContact CD1-CD2 4.25Å; I830-L891 HydrophobicContact CG1-CD2 4.43Å; I830-F919 HydrophobicContact CD1-CD1 3.9Å; I830-F919 HydrophobicContact CD1-CD2 4.25Å; I830-F919 HydrophobicContact CD1-CE1 3.52Å; I830-F919 HydrophobicContact CD1-CE2 3.89Å; I830-F919 HydrophobicContact CD1-CG 4.27Å; I830-F919 HydrophobicContact CD1-CZ 3.52Å
831T94.5Very high94.9Very high0 Ų029.1 Ų29.10%015%0.149CC..Hα-helixtrans-59.1-43.1178.3-67.40000112.3L827 Q828 A833 Q834 L841 S1099L827-T831 PolarHBondContact O-N 3.35Å; L827-T831 PolarHBondContact O-OG1 3.4Å; Q828-T831 PolarHBondContact O-N 3.21Å; T831-A833 PolarHBondContact O-N 3.24Å; T831-Q834 WeakPolarHBondContact O-CG 3.23Å; T831-Q834 PolarHBondContact O-N 2.84Å; T831-L841 WeakPolarHBondContact CG2-O 3.3Å; T831-L841 WeakPolarHBondContact OG1-CA 3.3Å; T831-L841 PolarHBondContact OG1-N 3.37Å; T831-L841 PolarHBondContact OG1-O 2.87Å; T831-S1099 VanDerWaalsContact CG2-OG 3.29Å; T831-S1099 WeakPolarHBondContact CG2-OG 3.39Å
832D94Very high94.9Very high106 Ų10627.8 Ų27.857%0.56714%0.142SC*.THydrogen-bonded Turntrans-63.9-20.3179.5-70.8-13.8000112.7Q828 I830Q828-D832 WeakPolarHBondContact O-CB 3.41Å; Q828-D832 VanDerWaalsContact O-CG 3.25Å; Q828-D832 PolarHBondContact O-N 2.89Å; I830-D832 VanDerWaalsContact C-N 3.35Å; I830-D832 PolarHBondContact O-N 2.89Å
833A94.3Very high95Very high47 Ų4726.5 Ų26.539%0.38814%0.135SC..THydrogen-bonded Turntrans-101.4-6.9174.200000114.1I830 T831 H835 F890I830-A833 CarbonylContact O-C 3.57Å; I830-A833 PolarHBondContact O-N 3.1Å; I830-A833 VanDerWaalsContact O-N 3.12Å; T831-A833 PolarHBondContact O-N 3.24Å; A833-H835 PolarHBondContact O-N 3.43Å; A833-H835 VanDerWaalsContact O-N 3.17Å; A833-F890 HydrophobicContact CB-CD2 4.49Å; A833-F890 HydrophobicContact CB-CE2 3.34Å; A833-F890 HydrophobicContact CB-CZ 3.41Å; A833-F890 VanDerWaalsContact CB-CZ 3.41Å
834Q93.8Very high95Very high116 Ų11626.2 Ų26.254%0.54213%0.134SC..THydrogen-bonded Turntrans46.340.8-176.2-60.6-173.6-46.500113.7I830 T831 L1101I830-Q834 PolarHBondContact O-N 2.68Å; T831-Q834 WeakPolarHBondContact O-CG 3.23Å; T831-Q834 PolarHBondContact O-N 2.84Å; Q834-L1101 PolarHBondContact NE2-O 2.62Å
835H95.6Very high95Very high16 Ų1625.5 Ų25.57%0.07413%0.131CC..  trans-67124-172.8-169.3-89000111A833 F837 L838 N840 F890A833-H835 PolarHBondContact O-N 3.43Å; A833-H835 VanDerWaalsContact O-N 3.17Å; H835-F837 VanDerWaalsContact C-N 3.34Å; H835-F837 PolarHBondContact ND1-N 2.63Å; H835-F837 PolarHBondContact O-N 3.06Å; H835-L838 HydrophobicContact CB-CD1 4.14Å; H835-L838 HydrophobicContact CB-CG 4.39Å; H835-L838 PolarHBondContact O-N 3.44Å; H835-N840 PolarHBondContact O-ND2 2.98Å; H835-F890 HydrophobicContact CB-CG 4.48Å; H835-F890 AromaticContact CD2-CD2 4Å; H835-F890 AromaticContact CD2-CG 3.93Å
836P95.9Very high94.9Very high22 Ų2223.2 Ų23.214%0.14312%0.124CC..THydrogen-bonded Turntrans-65.7-36-166.223.3-33.6000113K915 L1043 Q1045P836-K915 WeakPolarHBondContact O-CG 3.24Å; P836-K915 PolarHBondContact O-NZ 2.86Å; P836-L1043 HydrophobicContact CG-CD1 3.94Å; P836-Q1045 HydrophobicContact CB-CG 4.29Å
837F97.6Very high94.6Very high0 Ų025.2 Ų25.20%014%0.136CC..THydrogen-bonded Turntrans-93.214.1-174.4-51.8-44.5000115.1H835 C883 L886 F913 V914 K915 M916 L1042 Q1045H835-F837 VanDerWaalsContact C-N 3.34Å; H835-F837 PolarHBondContact ND1-N 2.63Å; H835-F837 PolarHBondContact O-N 3.06Å; F837-C883 HydrophobicContact CB-CB 4.36Å; F837-C883 HydrophobicContact CD1-CB 4.08Å; F837-C883 HydrophobicContact CD2-CB 4.04Å; F837-C883 HydrophobicContact CE1-CB 4.41Å; F837-C883 HydrophobicContact CE2-CB 4.36Å; F837-C883 HydrophobicContact CG-CB 3.88Å; F837-L886 HydrophobicContact CD2-CB 4.05Å; F837-L886 HydrophobicContact CD2-CD1 4.18Å; F837-L886 HydrophobicContact CE2-CB 4.43Å; F837-L886 HydrophobicContact CE2-CD1 3.7Å; F837-F913 HydrophobicContact CD1-CB 4.32Å; F837-F913 HydrophobicContact CE1-CB 3.97Å; F837-F913 AromaticContact CE1-CD1 3.72Å; F837-F913 HydrophobicContact CE1-CD1 3.72Å; F837-F913 HydrophobicContact CE1-CG 4.12Å; F837-F913 HydrophobicContact CZ-CD1 4.28Å; F837-V914 WeakPolarHBondContact CA-O 3.45Å; F837-V914 VanDerWaalsContact CB-O 3.32Å; F837-V914 WeakPolarHBondContact CB-O 3.4Å; F837-V914 VanDerWaalsContact CD1-O 3.3Å; F837-V914 WeakPolarHBondContact CD1-O 3.23Å; F837-K915 WeakPolarHBondContact O-CA 3.19Å; F837-M916 PolarHBondContact O-N 2.86Å; F837-L1042 HydrophobicContact CE2-CG 4.01Å; F837-L1042 HydrophobicContact CZ-CD1 4.11Å; F837-L1042 HydrophobicContact CZ-CG 3.9Å; F837-L1042 VanDerWaalsContact CZ-O 3.31Å; F837-L1042 WeakPolarHBondContact CZ-O 3.39Å; F837-Q1045 HydrophobicContact CE1-CG 4.38Å
838L97.3Very high94.2Very high0 Ų033.8 Ų33.80%017%0.173CC..BIsolated β-bridgetrans-122.5146.2173.5-59.2177.3000108.4I830 H835 N840 F890 L891 M916 F919I830-L838 HydrophobicContact CD1-CB 4.35Å; I830-L838 HydrophobicContact CD1-CD1 4.07Å; I830-L838 HydrophobicContact CG1-CB 4.5Å; I830-L838 HydrophobicContact CG1-CD1 3.83Å; I830-L838 HydrophobicContact CG2-CB 3.59Å; I830-L838 HydrophobicContact CG2-CD1 4.2Å; H835-L838 HydrophobicContact CB-CD1 4.14Å; H835-L838 HydrophobicContact CB-CG 4.39Å; H835-L838 PolarHBondContact O-N 3.44Å; L838-N840 PolarHBondContact O-N 3.28Å; L838-N840 PolarHBondContact O-ND2 3.21Å; L838-F890 HydrophobicContact CD1-CD1 3.48Å; L838-F890 VanDerWaalsContact CD1-CD1 3.48Å; L838-F890 HydrophobicContact CD1-CE1 4.08Å; L838-F890 HydrophobicContact CD1-CG 4.28Å; L838-L891 HydrophobicContact CD1-CD2 4.23Å; L838-L891 HydrophobicContact CD1-CG 4.26Å; L838-L891 HydrophobicContact CD2-CD1 4.48Å; L838-M916 HydrophobicContact CD2-CB 3.71Å; L838-M916 HydrophobicContact CD2-CG 3.94Å; L838-M916 HydrophobicContact CD2-SD 3.64Å; L838-F919 HydrophobicContact CB-CZ 4.17Å; L838-F919 HydrophobicContact CD2-CE1 4.21Å; L838-F919 HydrophobicContact CD2-CZ 4.15Å
839I96Very high93.9Very high5 Ų535 Ų353%0.02618%0.179CC..PPolyproline II helixtrans-69.2120177.1-71.5-71.8000110.2M855 E856 A858 L907 K915 M916 A917 F919I839-M855 HydrophobicContact CG2-CB 3.75Å; I839-M855 HydrophobicContact CG2-CG 4.22Å; I839-M855 HydrophobicContact CG2-SD 4.07Å; I839-E856 HydrophobicContact CD1-CG 3.96Å; I839-E856 HydrophobicContact CG2-CG 4.28Å; I839-A858 HydrophobicContact CD1-CB 4.27Å; I839-L907 HydrophobicContact CD1-CD1 4.2Å; I839-K915 HydrophobicContact CD1-CB 3.68Å; I839-K915 HydrophobicContact CD1-CD 4.07Å; I839-K915 HydrophobicContact CD1-CG 4.47Å; I839-K915 HydrophobicContact CG1-CB 4.01Å; I839-M916 WeakPolarHBondContact CG1-O 3.35Å; I839-M916 PolarHBondContact N-O 2.82Å; I839-A917 HydrophobicContact CG1-CB 3.94Å; I839-F919 HydrophobicContact CB-CE2 4.39Å
840N94.2Very high93.7Very high20 Ų2033.4 Ų33.411%0.10717%0.171CC..PPolyproline II helixtrans-82.3142.6178.7-68-93.7000112H835 L838 M855 E856H835-N840 PolarHBondContact O-ND2 2.98Å; L838-N840 PolarHBondContact O-N 3.28Å; L838-N840 PolarHBondContact O-ND2 3.21Å; N840-M855 WeakPolarHBondContact O-CA 3.43Å; N840-E856 HydrophobicContact CB-CG 4.46Å; N840-E856 WeakPolarHBondContact CB-OE1 3.34Å; N840-E856 PolarHBondContact N-OE1 3.42Å; N840-E856 PolarHBondContact ND2-OE1 3.45Å; N840-E856 PolarHBondContact O-N 3.41Å
841L94.9Very high93.6Very high0 Ų033.4 Ų33.40%017%0.171CC..EExtended strand (participates in β ladder)trans-99.3124.7176.7172.672.8000110.7L827 Q828 T831 A843 F853 M855 Y1097L827-L841 HydrophobicContact CB-CB 3.85Å; L827-L841 HydrophobicContact CB-CD2 3.67Å; L827-L841 HydrophobicContact CB-CG 4.31Å; L827-L841 HydrophobicContact CD1-CD1 4.5Å; L827-L841 HydrophobicContact CD1-CD2 4.49Å; L827-L841 HydrophobicContact CD2-CB 4.34Å; L827-L841 HydrophobicContact CG-CB 4.49Å; Q828-L841 HydrophobicContact CG-CD2 4.21Å; T831-L841 WeakPolarHBondContact CG2-O 3.3Å; T831-L841 WeakPolarHBondContact OG1-CA 3.3Å; T831-L841 PolarHBondContact OG1-N 3.37Å; T831-L841 PolarHBondContact OG1-O 2.87Å; L841-A843 WeakPolarHBondContact CD1-O 3.48Å; L841-F853 HydrophobicContact CD1-CB 4.05Å; L841-F853 HydrophobicContact CD1-CD1 3.92Å; L841-M855 HydrophobicContact CD1-CG 4.5Å; L841-Y1097 HydrophobicContact CD2-CD1 3.94Å; L841-Y1097 HydrophobicContact CD2-CE1 4.04Å; L841-Y1097 HydrophobicContact CG-CD1 4.4Å; L841-Y1097 HydrophobicContact CG-CE1 4.34Å
842I92.6Very high93.6Very high7 Ų733.4 Ų33.44%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-90.5-46.1177.2-61.888.8000110.6Y801 V854 E856 S1099 V1102Y801-I842 HydrophobicContact CD1-CD1 3.7Å; Y801-I842 HydrophobicContact CD1-CG1 4.09Å; Y801-I842 HydrophobicContact CE1-CB 4.44Å; Y801-I842 HydrophobicContact CE1-CD1 3.85Å; Y801-I842 HydrophobicContact CE1-CG1 3.77Å; Y801-I842 HydrophobicContact CE1-CG2 4.41Å; I842-V854 HydrophobicContact CB-CG1 4.42Å; I842-V854 PolarHBondContact N-O 3.3Å; I842-E856 HydrophobicContact CD1-CB 4.34Å; I842-E856 VanDerWaalsContact CD1-N 3.27Å; I842-S1099 WeakPolarHBondContact O-CB 3.46Å; I842-S1099 PolarHBondContact O-N 3Å; I842-V1102 HydrophobicContact CG1-CB 4.14Å; I842-V1102 HydrophobicContact CG1-CG1 3.71Å; I842-V1102 HydrophobicContact CG1-CG2 4.43Å; I842-V1102 HydrophobicContact CG2-CB 4.48Å
843A93.6Very high93.6Very high0 Ų028.4 Ų28.40%014%0.144CC..EExtended strand (participates in β ladder)trans-154.3153.7-17800000113.2L770 L841 V854 Y1097 Y1098L770-A843 HydrophobicContact CD2-CB 3.62Å; L841-A843 WeakPolarHBondContact CD1-O 3.48Å; A843-V854 HydrophobicContact CB-CB 4.2Å; A843-V854 HydrophobicContact CB-CG2 4.28Å; A843-V854 PolarHBondContact N-O 3.49Å; A843-V854 PolarHBondContact O-N 3.24Å; A843-Y1097 CarbonylContact C-O 3.57Å; A843-Y1097 VanDerWaalsContact CA-O 3.29Å; A843-Y1097 WeakPolarHBondContact CA-O 3.47Å; A843-Y1097 WeakPolarHBondContact CB-O 3.46Å; A843-Y1098 HydrophobicContact CB-CD2 3.93Å; A843-Y1098 HydrophobicContact CB-CE2 4.5Å
844C94.7Very high93.6Very high3 Ų326.2 Ų26.22%0.0213%0.126CC..EExtended strand (participates in β ladder)trans-116.6136.5163.6-65.10000108.9M852 F853 F1095 D1096 Y1097C844-M852 WeakPolarHBondContact CA-O 3.39Å; C844-F853 WeakPolarHBondContact SG-CD1 3.28Å; C844-F1095 HydrophobicContact CB-CD1 4.05Å; C844-F1095 HydrophobicContact CB-CE1 3.61Å; C844-F1095 HydrophobicContact CB-CZ 3.96Å; C844-F1095 WeakPolarHBondContact CB-O 3.45Å; C844-D1096 CarbonylContact O-C 3.54Å; C844-D1096 VanDerWaalsContact O-CA 3.32Å; C844-D1096 WeakPolarHBondContact O-CA 3.25Å; C844-Y1097 PolarHBondContact N-O 3.03Å; C844-Y1097 PolarHBondContact O-N 3.27Å
845F93.7Very high93.7Very high2 Ų221.7 Ų21.71%0.00911%0.105CC..EExtended strand (participates in β ladder)trans-150.9166.8170.572.4-83.6000110.9L770 M772 F775 M852 V854 F1095L770-F845 HydrophobicContact CB-CB 4.29Å; L770-F845 HydrophobicContact CB-CD1 4.46Å; L770-F845 HydrophobicContact CB-CG 4.37Å; L770-F845 HydrophobicContact CD2-CD1 3.83Å; L770-F845 HydrophobicContact CD2-CE1 4.2Å; L770-F845 HydrophobicContact CG-CD1 4.35Å; L770-F845 VanDerWaalsContact O-CD2 3.28Å; L770-F845 WeakPolarHBondContact O-CD2 3.47Å; M772-F845 HydrophobicContact CG-CE2 3.89Å; M772-F845 HydrophobicContact CG-CZ 4.03Å; M772-F845 HydrophobicContact SD-CE2 4.18Å; M772-F845 HydrophobicContact SD-CZ 3.71Å; F775-F845 HydrophobicContact CD2-CZ 4.35Å; F775-F845 AromaticContact CE2-CE1 3.9Å; F775-F845 HydrophobicContact CE2-CE1 3.9Å; F775-F845 HydrophobicContact CE2-CZ 4.16Å; F845-M852 HydrophobicContact CD1-CB 3.91Å; F845-M852 HydrophobicContact CD1-CG 4.48Å; F845-M852 HydrophobicContact CD2-CB 4.44Å; F845-M852 HydrophobicContact CD2-CG 4.18Å; F845-M852 HydrophobicContact CE1-CB 3.68Å; F845-M852 HydrophobicContact CE1-CG 4.08Å; F845-M852 HydrophobicContact CE2-CB 4.22Å; F845-M852 HydrophobicContact CE2-CG 3.74Å; F845-M852 HydrophobicContact CG-CB 4.31Å; F845-M852 HydrophobicContact CZ-CB 3.85Å; F845-M852 HydrophobicContact CZ-CG 3.71Å; F845-M852 PolarHBondContact N-O 2.87Å; F845-M852 VanDerWaalsContact N-O 3.11Å; F845-M852 WeakPolarHBondContact O-CB 3.5Å; F845-M852 PolarHBondContact O-N 2.79Å; F845-V854 HydrophobicContact CD1-CG2 3.93Å; F845-V854 HydrophobicContact CE1-CG2 3.58Å; F845-F1095 WeakPolarHBondContact O-CE1 3.18Å
846Q92.7Very high93.6Very high49 Ų4923.1 Ų23.123%0.22911%0.112CC..EExtended strand (participates in β ladder)trans-132.6161.4-174.268.8-168.8-76.300114.1V851 F1092 F1095 D1096Q846-V851 HydrophobicContact CB-CG1 4.19Å; Q846-F1092 PolarHBondContact NE2-O 2.91Å; Q846-F1095 HydrophobicContact CB-CD1 4.33Å; Q846-D1096 WeakPolarHBondContact CG-OD1 3.49Å; Q846-D1096 PolarHBondContact N-OD1 3.48Å; Q846-D1096 PolarHBondContact NE2-OD1 3.43Å
847T89.5Confident93.6Very high42 Ų4222.8 Ų22.826%0.25811%0.108SC..  trans-120.2-175.1168.369.20000109.2K808 E849 H850 M852K808-T847 WeakPolarHBondContact CE-O 3.39Å; K808-T847 PolarHBondContact NZ-O 2.83Å; T847-E849 VanDerWaalsContact C-N 3.27Å; T847-E849 PolarHBondContact O-N 3.12Å; T847-E849 PolarHBondContact OG1-N 3.2Å; T847-H850 PolarHBondContact N-O 2.95Å; T847-H850 WeakPolarHBondContact OG1-CB 3.49Å; T847-H850 PolarHBondContact OG1-CE1 3.06Å; T847-H850 PolarHBondContact OG1-N 3.16Å; T847-H850 PolarHBondContact OG1-O 3.34Å; T847-M852 HydrophobicContact CG2-CE 4.09Å
848K87.8Confident93.4Very high181 Ų18123 Ų2379%0.78711%0.109SC*.SBendtrans-64.7-29.9172.2-64.9-171.1176.7-172.20113.2Q1089K848-Q1089 PolarHBondContact O-NE2 3.24Å
849E88Confident93.2Very high71 Ų7125 Ų2533%0.33212%0.118SC..SBendtrans-106.6-26.1-175-71-172.9-168.200114K808 T847 T1078K808-E849 WeakPolarHBondContact CB-O 3.36Å; K808-E849 PolarHBondContact N-O 3.13Å; T847-E849 VanDerWaalsContact C-N 3.27Å; T847-E849 PolarHBondContact O-N 3.12Å; T847-E849 PolarHBondContact OG1-N 3.2Å; E849-T1078 HydrophobicContact CB-CG2 3.94Å; E849-T1078 HydrophobicContact CG-CG2 4.23Å; E849-T1078 WeakPolarHBondContact CG-OG1 3.29Å; E849-T1078 PolarHBondContact OE2-N 2.9Å; E849-T1078 PolarHBondContact OE2-OG1 3.06Å
850H91.3Very high93.1Very high15 Ų1525.1 Ų25.17%0.06912%0.121CC..EExtended strand (participates in β ladder)trans-132.3158.1-166.1-55.486.1000113.1L806 T847 M852L806-H850 CarbonylContact O-C 3.51Å; L806-H850 WeakPolarHBondContact O-CA 3.44Å; L806-H850 WeakPolarHBondContact O-CB 3.3Å; T847-H850 PolarHBondContact N-O 2.95Å; T847-H850 WeakPolarHBondContact OG1-CB 3.49Å; T847-H850 PolarHBondContact OG1-CE1 3.06Å; T847-H850 PolarHBondContact OG1-N 3.16Å; T847-H850 PolarHBondContact OG1-O 3.34Å; H850-M852 HydrophobicContact CB-CE 3.51Å; H850-M852 HydrophobicContact CB-SD 3.99Å
851V93.2Very high93Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans-116.4143.9161.8-67.90000109.2L806 K808 I811 L820 Q846 F1092 F1095L806-V851 HydrophobicContact CB-CG2 3.86Å; L806-V851 HydrophobicContact CD1-CG2 4.32Å; L806-V851 PolarHBondContact N-O 3.2Å; L806-V851 PolarHBondContact O-N 3.45Å; K808-V851 HydrophobicContact CD-CG1 4.43Å; K808-V851 HydrophobicContact CG-CG1 3.91Å; I811-V851 HydrophobicContact CD1-CG2 3.86Å; L820-V851 HydrophobicContact CD1-CG2 3.84Å; L820-V851 HydrophobicContact CD2-CG1 4.41Å; L820-V851 HydrophobicContact CD2-CG2 3.97Å; Q846-V851 HydrophobicContact CB-CG1 4.19Å; V851-F1092 HydrophobicContact CG1-CD1 3.76Å; V851-F1092 HydrophobicContact CG1-CE1 4.24Å; V851-F1092 HydrophobicContact CG1-CG 4.27Å; V851-F1095 HydrophobicContact CB-CD1 3.99Å; V851-F1095 HydrophobicContact CB-CD2 4.36Å; V851-F1095 HydrophobicContact CB-CE1 3.66Å; V851-F1095 HydrophobicContact CB-CE2 4.07Å; V851-F1095 HydrophobicContact CB-CG 4.34Å; V851-F1095 HydrophobicContact CB-CZ 3.72Å; V851-F1095 HydrophobicContact CG1-CD1 3.97Å; V851-F1095 HydrophobicContact CG1-CD2 4.27Å; V851-F1095 HydrophobicContact CG1-CE1 4.18Å; V851-F1095 HydrophobicContact CG1-CE2 4.47Å; V851-F1095 HydrophobicContact CG1-CG 4.03Å; V851-F1095 HydrophobicContact CG1-CZ 4.44Å; V851-F1095 HydrophobicContact CG2-CE2 4.42Å; V851-F1095 HydrophobicContact CG2-CZ 4.32Å
852M94Very high92.8Very high0 Ų025.6 Ų25.60%012%0.124CC..EExtended strand (participates in β ladder)trans-127.5125.5-172-47.9-55.8-168.800110.8M772 I803 S805 C844 F845 T847 H850 L1075 F1095M772-M852 HydrophobicContact CG-CE 3.9Å; M772-M852 HydrophobicContact SD-CE 3.84Å; M772-M852 HydrophobicContact SD-CG 4.39Å; M772-M852 HydrophobicContact SD-SD 4.45Å; I803-M852 HydrophobicContact CG2-CB 4.04Å; S805-M852 WeakPolarHBondContact CB-SD 3.32Å; S805-M852 PolarHBondContact OG-SD 3.13Å; C844-M852 WeakPolarHBondContact CA-O 3.39Å; F845-M852 HydrophobicContact CD1-CB 3.91Å; F845-M852 HydrophobicContact CD1-CG 4.48Å; F845-M852 HydrophobicContact CD2-CB 4.44Å; F845-M852 HydrophobicContact CD2-CG 4.18Å; F845-M852 HydrophobicContact CE1-CB 3.68Å; F845-M852 HydrophobicContact CE1-CG 4.08Å; F845-M852 HydrophobicContact CE2-CB 4.22Å; F845-M852 HydrophobicContact CE2-CG 3.74Å; F845-M852 HydrophobicContact CG-CB 4.31Å; F845-M852 HydrophobicContact CZ-CB 3.85Å; F845-M852 HydrophobicContact CZ-CG 3.71Å; F845-M852 PolarHBondContact N-O 2.87Å; F845-M852 VanDerWaalsContact N-O 3.11Å; F845-M852 WeakPolarHBondContact O-CB 3.5Å; F845-M852 PolarHBondContact O-N 2.79Å; T847-M852 HydrophobicContact CG2-CE 4.09Å; H850-M852 HydrophobicContact CB-CE 3.51Å; H850-M852 HydrophobicContact CB-SD 3.99Å; M852-L1075 HydrophobicContact CE-CD1 3.61Å; M852-L1075 HydrophobicContact CE-CD2 3.67Å; M852-L1075 HydrophobicContact CE-CG 4.32Å; M852-L1075 HydrophobicContact SD-CD2 4.43Å; M852-F1095 WeakPolarHBondContact O-CE1 3.33Å
853F94.6Very high92.8Very high0 Ų025.3 Ų25.30%012%0.122CC..EExtended strand (participates in β ladder)trans-99.7124.2163.3-62.1-86.3000109.3I803 K804 L806 L820 E823 K824 L827 L841 C844 M855 F1095I803-F853 CarbonylContact C-O 3.59Å; I803-F853 VanDerWaalsContact CA-O 3.28Å; I803-F853 WeakPolarHBondContact CA-O 3.49Å; K804-F853 HydrophobicContact CB-CB 4.32Å; K804-F853 HydrophobicContact CD-CD2 4.46Å; K804-F853 HydrophobicContact CG-CD2 4.47Å; K804-F853 PolarHBondContact N-O 3.34Å; K804-F853 PolarHBondContact O-N 3.02Å; L806-F853 HydrophobicContact CD1-CD2 4.16Å; L806-F853 HydrophobicContact CD1-CE2 3.74Å; L820-F853 HydrophobicContact CD1-CE2 3.62Å; L820-F853 HydrophobicContact CD1-CZ 3.8Å; L820-F853 HydrophobicContact CG-CZ 4.45Å; E823-F853 HydrophobicContact CG-CZ 4.22Å; K824-F853 HydrophobicContact CB-CE1 3.9Å; K824-F853 HydrophobicContact CB-CZ 4.39Å; L827-F853 HydrophobicContact CD1-CD1 3.88Å; L827-F853 HydrophobicContact CD1-CE1 4.09Å; L827-F853 HydrophobicContact CD1-CG 4.48Å; L841-F853 HydrophobicContact CD1-CB 4.05Å; L841-F853 HydrophobicContact CD1-CD1 3.92Å; C844-F853 WeakPolarHBondContact SG-CD1 3.28Å; F853-M855 HydrophobicContact CB-CG 4.22Å; F853-M855 HydrophobicContact CB-SD 4.45Å; F853-F1095 HydrophobicContact CD1-CZ 4.16Å; F853-F1095 HydrophobicContact CD2-CZ 4.29Å; F853-F1095 AromaticContact CE1-CE2 3.91Å; F853-F1095 HydrophobicContact CE1-CE2 3.91Å; F853-F1095 AromaticContact CE1-CZ 3.87Å; F853-F1095 HydrophobicContact CE1-CZ 3.87Å; F853-F1095 HydrophobicContact CE2-CE2 4.15Å; F853-F1095 HydrophobicContact CE2-CZ 4.03Å; F853-F1095 HydrophobicContact CG-CZ 4.37Å; F853-F1095 AromaticContact CZ-CE2 3.64Å; F853-F1095 HydrophobicContact CZ-CE2 3.64Å; F853-F1095 AromaticContact CZ-CZ 3.82Å; F853-F1095 HydrophobicContact CZ-CZ 3.82Å
854V95.2Very high92.4Very high2 Ų225.7 Ų25.71%0.01212%0.124CC..EExtended strand (participates in β ladder)trans-97.8105.6174.7-174.40000108.1L770 F775 Y801 I803 I842 A843 F845L770-V854 HydrophobicContact CD2-CG2 4.38Å; F775-V854 HydrophobicContact CE1-CG1 4.18Å; F775-V854 HydrophobicContact CE2-CG2 4.41Å; F775-V854 HydrophobicContact CZ-CG1 4.03Å; F775-V854 HydrophobicContact CZ-CG2 3.99Å; Y801-V854 HydrophobicContact CD1-CG1 4.18Å; Y801-V854 HydrophobicContact CD2-CG1 4.47Å; Y801-V854 HydrophobicContact CG-CG1 3.87Å; I803-V854 HydrophobicContact CD1-CG2 4.4Å; I803-V854 HydrophobicContact CG1-CG1 4.48Å; I803-V854 HydrophobicContact CG1-CG2 4.32Å; I842-V854 HydrophobicContact CB-CG1 4.42Å; I842-V854 PolarHBondContact N-O 3.3Å; A843-V854 HydrophobicContact CB-CB 4.2Å; A843-V854 HydrophobicContact CB-CG2 4.28Å; A843-V854 PolarHBondContact N-O 3.49Å; A843-V854 PolarHBondContact O-N 3.24Å; F845-V854 HydrophobicContact CD1-CG2 3.93Å; F845-V854 HydrophobicContact CE1-CG2 3.58Å
855M95.2Very high91.9Very high21 Ų2127 Ų2710%0.10313%0.133CC..EExtended strand (participates in β ladder)trans-112.1163.3-173.9-53.8175.2-56.600111Y801 A802 K804 I839 N840 L841 F853Y801-M855 WeakPolarHBondContact CA-O 3.39Å; Y801-M855 WeakPolarHBondContact CB-O 3.36Å; A802-M855 HydrophobicContact CB-CE 4.4Å; A802-M855 PolarHBondContact N-O 3.12Å; A802-M855 WeakPolarHBondContact O-CB 3.48Å; A802-M855 PolarHBondContact O-N 3.14Å; K804-M855 HydrophobicContact CB-CE 3.68Å; K804-M855 HydrophobicContact CB-SD 4.44Å; I839-M855 HydrophobicContact CG2-CB 3.75Å; I839-M855 HydrophobicContact CG2-CG 4.22Å; I839-M855 HydrophobicContact CG2-SD 4.07Å; N840-M855 WeakPolarHBondContact O-CA 3.43Å; L841-M855 HydrophobicContact CD1-CG 4.5Å; F853-M855 HydrophobicContact CB-CG 4.22Å; F853-M855 HydrophobicContact CB-SD 4.45Å
856E94.2Very high91.4Very high46 Ų4628 Ų2822%0.21514%0.139CC..EExtended strand (participates in β ladder)trans-61.1148.6172.265.3178.2139.100111.9I839 N840 I842 K915I839-E856 HydrophobicContact CD1-CG 3.96Å; I839-E856 HydrophobicContact CG2-CG 4.28Å; N840-E856 HydrophobicContact CB-CG 4.46Å; N840-E856 WeakPolarHBondContact CB-OE1 3.34Å; N840-E856 PolarHBondContact N-OE1 3.42Å; N840-E856 PolarHBondContact ND2-OE1 3.45Å; N840-E856 PolarHBondContact O-N 3.41Å; I842-E856 HydrophobicContact CD1-CB 4.34Å; I842-E856 VanDerWaalsContact CD1-N 3.27Å; E856-K915 IonicContact OE1-NZ 3.64Å; E856-K915 PolarHBondContact OE1-NZ 2.9Å; E856-K915 WeakPolarHBondContact OE2-CE 3.45Å; E856-K915 IonicContact OE2-NZ 3.21Å; E856-K915 PolarHBondContact OE2-NZ 3.38Å
857Y94.7Very high90.8Very high15 Ų1526 Ų266%0.05913%0.13CC..  trans-98.2110.4179.7178.7-137.8000111.2L781 L791 Q859 D1060 F1064L781-Y857 HydrophobicContact CD1-CD2 3.77Å; L781-Y857 HydrophobicContact CD1-CE2 3.52Å; L781-Y857 HydrophobicContact CD2-CE2 3.91Å; L781-Y857 HydrophobicContact CG-CE2 4.38Å; L791-Y857 HydrophobicContact CD1-CD1 3.4Å; L791-Y857 HydrophobicContact CD1-CD2 3.96Å; L791-Y857 HydrophobicContact CD1-CE1 3.43Å; L791-Y857 VanDerWaalsContact CD1-CE1 3.43Å; L791-Y857 HydrophobicContact CD1-CE2 4Å; L791-Y857 HydrophobicContact CD1-CG 3.69Å; L791-Y857 HydrophobicContact CD2-CE1 3.94Å; L791-Y857 HydrophobicContact CG-CE1 4.33Å; Y857-Q859 HydrophobicContact CD1-CG 3.8Å; Y857-Q859 HydrophobicContact CE1-CB 4.36Å; Y857-Q859 HydrophobicContact CE1-CG 3.59Å; Y857-Q859 HydrophobicContact CG-CG 4.5Å; Y857-Q859 PolarHBondContact O-NE2 3.09Å; Y857-Q859 PolarHBondContact O-OE1 3.1Å; Y857-D1060 PolarHBondContact OH-O 3.03Å; Y857-F1064 AromaticContact CE2-CE2 3.86Å; Y857-F1064 HydrophobicContact CE2-CE2 3.86Å; Y857-F1064 AromaticContact CE2-CZ 3.7Å; Y857-F1064 HydrophobicContact CE2-CZ 3.7Å; Y857-F1064 WeakPolarHBondContact OH-CE2 3.42Å
858A94.6Very high90Very high4 Ų428.5 Ų28.53%0.03314%0.138CC..  trans-92.6106.2175.400000110I839 G860 L907 L908 K915 F1064I839-A858 HydrophobicContact CD1-CB 4.27Å; A858-G860 PolarHBondContact O-N 2.83Å; A858-L907 HydrophobicContact CB-CB 3.96Å; A858-L907 HydrophobicContact CB-CD1 4.34Å; A858-L908 CarbonylContact C-O 3.34Å; A858-L908 VanDerWaalsContact C-O 3.3Å; A858-L908 WeakPolarHBondContact CB-O 3.36Å; A858-K915 HydrophobicContact CB-CD 4.45Å; A858-F1064 WeakPolarHBondContact O-CZ 3.27Å
859Q93.3Very high89.2Confident41 Ų4126.2 Ų26.219%0.19213%0.128CC..THydrogen-bonded Turntrans-79.9-10.8-165.8-52.884-5.100115Y857 G861 L908 V1055 N1063Y857-Q859 HydrophobicContact CD1-CG 3.8Å; Y857-Q859 HydrophobicContact CE1-CB 4.36Å; Y857-Q859 HydrophobicContact CE1-CG 3.59Å; Y857-Q859 HydrophobicContact CG-CG 4.5Å; Y857-Q859 PolarHBondContact O-NE2 3.09Å; Y857-Q859 PolarHBondContact O-OE1 3.1Å; Q859-G861 VanDerWaalsContact C-N 3.31Å; Q859-G861 PolarHBondContact O-N 2.94Å; Q859-L908 PolarHBondContact N-O 2.89Å; Q859-V1055 HydrophobicContact CB-CG1 4.17Å; Q859-V1055 HydrophobicContact CB-CG2 3.98Å; Q859-N1063 PolarHBondContact O-ND2 3.48Å
860G92.1Very high88.6Confident8 Ų827.6 Ų27.68%0.08214%0.138CC..THydrogen-bonded Turntrans-82.6-0.2-173.100000115.5A858 L908A858-G860 PolarHBondContact O-N 2.83Å; G860-L908 VanDerWaalsContact CA-O 3.26Å; G860-L908 WeakPolarHBondContact CA-O 3.18Å; G860-L908 PolarHBondContact N-O 3.29Å
861G92.1Very high88.3Confident0 Ų029.3 Ų29.30%015%0.149CC..  trans72.2-163.9-174.700000112.6Q859 L907 L908 N1063Q859-G861 VanDerWaalsContact C-N 3.31Å; Q859-G861 PolarHBondContact O-N 2.94Å; G861-L907 CarbonylContact O-C 3.45Å; G861-L907 VanDerWaalsContact O-CA 3.29Å; G861-L907 WeakPolarHBondContact O-CA 3.35Å; G861-L908 PolarHBondContact O-N 3.19Å; G861-N1063 WeakPolarHBondContact CA-O 3.47Å
862D92.1Very high88.1Confident31 Ų3129.8 Ų29.817%0.16615%0.152CC..BIsolated β-bridgetrans-95.1156177.657.678.1000113.7M864 S865 L906 L907D862-M864 PolarHBondContact O-N 3.03Å; D862-M864 WeakPolarHBondContact OD1-CB 3.38Å; D862-M864 PolarHBondContact OD1-N 2.88Å; D862-S865 PolarHBondContact O-N 3.46Å; D862-S865 VanDerWaalsContact OD1-CB 3.26Å; D862-S865 WeakPolarHBondContact OD1-CB 3.43Å; D862-S865 PolarHBondContact OD1-N 3.07Å; D862-S865 PolarHBondContact OD1-OG 3.35Å; D862-S865 PolarHBondContact OD2-OG 2.83Å; D862-L906 WeakPolarHBondContact CA-O 3.45Å; D862-L907 HydrophobicContact CB-CD2 4.04Å
863L91.3Very high88Confident0 Ų037.4 Ų37.40%019%0.185CC..Hα-helixtrans-64.5-26.5176.5-71.8-175.6000113.1S865 L866 I867 F872 Y880 L903 L906 L908 V914L863-S865 VanDerWaalsContact C-N 3.33Å; L863-S865 PolarHBondContact O-N 2.89Å; L863-L866 WeakPolarHBondContact O-CB 3.33Å; L863-L866 PolarHBondContact O-N 3.45Å; L863-L866 VanDerWaalsContact O-N 3.16Å; L863-I867 PolarHBondContact O-N 3.3Å; L863-F872 HydrophobicContact CD2-CE2 4.28Å; L863-F872 HydrophobicContact CD2-CZ 4.05Å; L863-Y880 HydrophobicContact CD1-CG 4.34Å; L863-Y880 HydrophobicContact CD2-CD1 4.41Å; L863-Y880 HydrophobicContact CD2-CD2 4.27Å; L863-Y880 HydrophobicContact CD2-CE1 4.31Å; L863-Y880 HydrophobicContact CD2-CE2 4.16Å; L863-Y880 HydrophobicContact CD2-CG 4.39Å; L863-L903 HydrophobicContact CB-CB 4.49Å; L863-L903 HydrophobicContact CB-CD2 3.99Å; L863-L903 HydrophobicContact CD1-CD2 4.41Å; L863-L906 HydrophobicContact CB-CB 4.39Å; L863-L906 HydrophobicContact CD1-CB 3.76Å; L863-L906 HydrophobicContact CD1-CD1 3.9Å; L863-L906 HydrophobicContact CD1-CG 4.49Å; L863-L906 HydrophobicContact CG-CB 4.01Å; L863-L906 PolarHBondContact N-O 2.8Å; L863-L908 HydrophobicContact CD2-CD1 4.01Å; L863-L908 HydrophobicContact CD2-CD2 3.83Å; L863-L908 HydrophobicContact CD2-CG 3.91Å; L863-V914 HydrophobicContact CD1-CG2 3.88Å; L863-V914 HydrophobicContact CD2-CG2 4.26Å; L863-V914 HydrophobicContact CG-CG2 4.29Å
864M86.8Confident88Confident8 Ų839.8 Ų39.84%0.03920%0.196CC..Hα-helixtrans-63.4-41.5178.7179.457.8-176.500110.8L549 R551 D862 L866 I867 Q868 L903L549-M864 HydrophobicContact CB-CE 4.37Å; L549-M864 HydrophobicContact CD1-CE 4.08Å; L549-M864 HydrophobicContact CD1-SD 4.41Å; R551-M864 HydrophobicContact CB-CE 4.42Å; R551-M864 PolarHBondContact NH1-SD 2.86Å; R551-M864 VanDerWaalsContact NH1-SD 3.41Å; D862-M864 PolarHBondContact O-N 3.03Å; D862-M864 WeakPolarHBondContact OD1-CB 3.38Å; D862-M864 PolarHBondContact OD1-N 2.88Å; M864-L866 PolarHBondContact O-N 3.39Å; M864-I867 PolarHBondContact O-N 3.09Å; M864-Q868 HydrophobicContact CE-CG 4.25Å; M864-Q868 VanDerWaalsContact O-CG 3.3Å; M864-Q868 WeakPolarHBondContact O-CG 3.49Å; M864-Q868 PolarHBondContact O-N 3.46Å; M864-Q868 PolarHBondContact O-NE2 3.46Å; M864-L903 HydrophobicContact CB-CB 3.72Å; M864-L903 HydrophobicContact SD-CB 4.46Å; M864-L903 HydrophobicContact SD-CD1 4Å
865S83.1Confident88Confident31 Ų3144.5 Ų44.522%0.21723%0.226CC..Hα-helixtrans-68.5-20.2175.8-630000113.2D862 L863 K869D862-S865 PolarHBondContact O-N 3.46Å; D862-S865 VanDerWaalsContact OD1-CB 3.26Å; D862-S865 WeakPolarHBondContact OD1-CB 3.43Å; D862-S865 PolarHBondContact OD1-N 3.07Å; D862-S865 PolarHBondContact OD1-OG 3.35Å; D862-S865 PolarHBondContact OD2-OG 2.83Å; L863-S865 VanDerWaalsContact C-N 3.33Å; L863-S865 PolarHBondContact O-N 2.89Å; S865-K869 WeakPolarHBondContact O-CE 3.37Å
866L84.2Confident87.9Confident24 Ų2445.5 Ų45.513%0.12623%0.231CC..Hα-helixtrans-83.6-43.1171.5-164.859.2000111.8L863 M864 Q868 K869 N870 F872 L908 F1051L863-L866 WeakPolarHBondContact O-CB 3.33Å; L863-L866 PolarHBondContact O-N 3.45Å; L863-L866 VanDerWaalsContact O-N 3.16Å; M864-L866 PolarHBondContact O-N 3.39Å; L866-Q868 PolarHBondContact O-N 3.31Å; L866-K869 WeakPolarHBondContact O-CB 3.25Å; L866-K869 PolarHBondContact O-N 2.93Å; L866-K869 VanDerWaalsContact O-N 3.11Å; L866-N870 PolarHBondContact O-N 2.88Å; L866-F872 HydrophobicContact CB-CE1 4.3Å; L866-F872 HydrophobicContact CB-CZ 4.33Å; L866-F872 HydrophobicContact CD2-CE1 3.81Å; L866-F872 HydrophobicContact CD2-CZ 3.89Å; L866-F872 HydrophobicContact CG-CE1 3.87Å; L866-F872 HydrophobicContact CG-CZ 4.23Å; L866-L908 HydrophobicContact CD2-CD1 4.15Å; L866-F1051 HydrophobicContact CD1-CD1 4.19Å; L866-F1051 HydrophobicContact CD1-CD2 4.41Å; L866-F1051 HydrophobicContact CD1-CE1 3.78Å; L866-F1051 HydrophobicContact CD1-CE2 4.03Å; L866-F1051 HydrophobicContact CD1-CG 4.49Å; L866-F1051 HydrophobicContact CD1-CZ 3.69Å; L866-F1051 HydrophobicContact CD2-CD1 3.51Å; L866-F1051 HydrophobicContact CD2-CE1 3.79Å; L866-F1051 HydrophobicContact CD2-CG 4.02Å; L866-F1051 HydrophobicContact CD2-CZ 4.5Å; L866-F1051 HydrophobicContact CG-CE1 4.44Å
867I80.4Confident88Confident6 Ų643.3 Ų43.33%0.03122%0.221CC..Hα-helixtrans-68.2-32.9179.2-77.6162.9000112.8L549 L863 M864 K869 N870 F872 L903 M968L549-I867 HydrophobicContact CD1-CG2 4.17Å; L863-I867 PolarHBondContact O-N 3.3Å; M864-I867 PolarHBondContact O-N 3.09Å; I867-K869 PolarHBondContact O-N 2.89Å; I867-K869 VanDerWaalsContact O-N 3.12Å; I867-N870 WeakPolarHBondContact CA-O 3.4Å; I867-N870 CarbonylContact O-C 3.57Å; I867-N870 VanDerWaalsContact O-C 3.29Å; I867-N870 PolarHBondContact O-N 2.95Å; I867-F872 HydrophobicContact CD1-CD2 3.97Å; I867-F872 HydrophobicContact CD1-CE1 4.27Å; I867-F872 HydrophobicContact CD1-CE2 3.59Å; I867-F872 HydrophobicContact CD1-CG 4.46Å; I867-F872 HydrophobicContact CD1-CZ 3.76Å; I867-F872 HydrophobicContact CG1-CD1 3.91Å; I867-F872 HydrophobicContact CG1-CD2 4.17Å; I867-F872 HydrophobicContact CG1-CE1 3.55Å; I867-F872 HydrophobicContact CG1-CE2 3.83Å; I867-F872 HydrophobicContact CG1-CG 4.21Å; I867-F872 HydrophobicContact CG1-CZ 3.51Å; I867-L903 HydrophobicContact CB-CD1 4.42Å; I867-L903 HydrophobicContact CD1-CD1 3.45Å; I867-L903 VanDerWaalsContact CD1-CD1 3.45Å; I867-L903 HydrophobicContact CD1-CD2 3.57Å; I867-L903 HydrophobicContact CD1-CG 4.16Å; I867-L903 HydrophobicContact CG2-CD1 4.46Å; I867-M968 HydrophobicContact CD1-CB 4.43Å; I867-M968 HydrophobicContact CD1-CG 3.92Å
868Q71.7Confident88.2Confident94 Ų9443.4 Ų43.444%0.43922%0.223SC..THydrogen-bonded Turntrans-53.4-30170.3-79.8173.868.200112.9M864 L866M864-Q868 HydrophobicContact CE-CG 4.25Å; M864-Q868 VanDerWaalsContact O-CG 3.3Å; M864-Q868 WeakPolarHBondContact O-CG 3.49Å; M864-Q868 PolarHBondContact O-N 3.46Å; M864-Q868 PolarHBondContact O-NE2 3.46Å; L866-Q868 PolarHBondContact O-N 3.31Å
869K71.4Confident88.3Confident133 Ų13343.7 Ų43.758%0.57822%0.223SC*.THydrogen-bonded Turntrans-78.9-50.4177.2-59.1166.9-174.1168.70110.5S865 L866 I867S865-K869 WeakPolarHBondContact O-CE 3.37Å; L866-K869 WeakPolarHBondContact O-CB 3.25Å; L866-K869 PolarHBondContact O-N 2.93Å; L866-K869 VanDerWaalsContact O-N 3.11Å; I867-K869 PolarHBondContact O-N 2.89Å; I867-K869 VanDerWaalsContact O-N 3.12Å
870N74.7Confident88.5Confident101 Ų10141.8 Ų41.854%0.5421%0.214SC..  trans-159.9149.5169.1-89.7-58.7000112.4R546 L866 I867R546-N870 PolarHBondContact NH2-OD1 3.47Å; L866-N870 PolarHBondContact O-N 2.88Å; I867-N870 WeakPolarHBondContact CA-O 3.4Å; I867-N870 CarbonylContact O-C 3.57Å; I867-N870 VanDerWaalsContact O-C 3.29Å; I867-N870 PolarHBondContact O-N 2.95Å
871V84.7Confident88.8Confident50 Ų5041.4 Ų41.430%0.30321%0.21SC..PPolyproline II helixtrans-59.5149.2171.3-52.40000111.8G971V871-G971 VanDerWaalsContact CG1-CA 3.48Å
872F88.8Confident89.1Confident11 Ų1141.4 Ų41.45%0.04821%0.21CC..PPolyproline II helixtrans-77.8137.5-176.6-69.4-14.2000112L863 L866 I867 Q876 A877 Y880 M968L863-F872 HydrophobicContact CD2-CE2 4.28Å; L863-F872 HydrophobicContact CD2-CZ 4.05Å; L866-F872 HydrophobicContact CB-CE1 4.3Å; L866-F872 HydrophobicContact CB-CZ 4.33Å; L866-F872 HydrophobicContact CD2-CE1 3.81Å; L866-F872 HydrophobicContact CD2-CZ 3.89Å; L866-F872 HydrophobicContact CG-CE1 3.87Å; L866-F872 HydrophobicContact CG-CZ 4.23Å; I867-F872 HydrophobicContact CD1-CD2 3.97Å; I867-F872 HydrophobicContact CD1-CE1 4.27Å; I867-F872 HydrophobicContact CD1-CE2 3.59Å; I867-F872 HydrophobicContact CD1-CG 4.46Å; I867-F872 HydrophobicContact CD1-CZ 3.76Å; I867-F872 HydrophobicContact CG1-CD1 3.91Å; I867-F872 HydrophobicContact CG1-CD2 4.17Å; I867-F872 HydrophobicContact CG1-CE1 3.55Å; I867-F872 HydrophobicContact CG1-CE2 3.83Å; I867-F872 HydrophobicContact CG1-CG 4.21Å; I867-F872 HydrophobicContact CG1-CZ 3.51Å; F872-Q876 HydrophobicContact CB-CB 4.14Å; F872-Q876 HydrophobicContact CG-CB 4.34Å; F872-A877 HydrophobicContact CB-CB 4.31Å; F872-Y880 AromaticContact CD2-CD2 3.78Å; F872-Y880 HydrophobicContact CD2-CD2 3.78Å; F872-Y880 HydrophobicContact CD2-CE2 4.18Å; F872-Y880 HydrophobicContact CE1-CE2 4.44Å; F872-Y880 AromaticContact CE2-CD2 3.39Å; F872-Y880 HydrophobicContact CE2-CD2 3.39Å; F872-Y880 AromaticContact CE2-CE2 3.67Å; F872-Y880 HydrophobicContact CE2-CE2 3.67Å; F872-Y880 HydrophobicContact CE2-CG 4.47Å; F872-Y880 HydrophobicContact CZ-CD2 4.03Å; F872-Y880 AromaticContact CZ-CE2 3.82Å; F872-Y880 HydrophobicContact CZ-CE2 3.82Å; F872-M968 WeakPolarHBondContact CB-O 3.18Å; F872-M968 HydrophobicContact CD2-CB 3.91Å; F872-M968 HydrophobicContact CD2-CG 3.77Å; F872-M968 HydrophobicContact CD2-SD 3.78Å; F872-M968 HydrophobicContact CE2-CG 4.08Å; F872-M968 HydrophobicContact CE2-SD 3.97Å; F872-M968 PolarHBondContact N-O 2.87Å
873K92.5Very high89.4Confident159 Ų15939.9 Ų39.969%0.69120%0.202SC*.PPolyproline II helixtrans-68.5150164-63.7175.9-178.3174.80108.8P875 Q876 A877K873-P875 VanDerWaalsContact C-CD 3.48Å; K873-P875 VanDerWaalsContact O-N 3.16Å; K873-Q876 HydrophobicContact CB-CG 4.27Å; K873-Q876 WeakPolarHBondContact O-CA 3.43Å; K873-Q876 WeakPolarHBondContact O-CB 3.28Å; K873-Q876 PolarHBondContact O-N 2.86Å; K873-A877 PolarHBondContact O-N 2.64Å
874E94.1Very high89.7Confident50 Ų5039.9 Ų39.923%0.23420%0.202CC..Hα-helixtrans-49.8-44-173.8-158.5166.6117.200114.9Q876 A877 V878 L969 S999 F1033E874-Q876 PolarHBondContact O-N 2.93Å; E874-A877 PolarHBondContact O-N 2.72Å; E874-V878 HydrophobicContact CG-CG2 4.44Å; E874-V878 WeakPolarHBondContact O-CB 3.35Å; E874-V878 VanDerWaalsContact O-CG2 3.27Å; E874-V878 WeakPolarHBondContact O-CG2 3.43Å; E874-V878 PolarHBondContact O-N 3.03Å; E874-L969 HydrophobicContact CB-CD2 4.18Å; E874-L969 HydrophobicContact CG-CD2 4.15Å; E874-S999 WeakPolarHBondContact OE1-CB 3.49Å; E874-S999 PolarHBondContact OE1-OG 2.9Å; E874-S999 WeakPolarHBondContact OE2-CB 3.44Å; E874-S999 PolarHBondContact OE2-N 2.95Å; E874-S999 PolarHBondContact OE2-OG 2.87Å; E874-S999 VanDerWaalsContact OE2-OG 3.09Å; E874-F1033 HydrophobicContact CG-CE2 3.91Å
875P95Very high90.3Very high101 Ų10139.5 Ų39.566%0.65620%0.2SC*.Hα-helixtrans-62-26.9176.2-23.535.5000114.7K873 F879K873-P875 VanDerWaalsContact C-CD 3.48Å; K873-P875 VanDerWaalsContact O-N 3.16Å; P875-F879 WeakPolarHBondContact O-CB 3.46Å; P875-F879 PolarHBondContact O-N 2.89Å
876Q94.7Very high91Very high43 Ų4338.6 Ų38.620%0.20119%0.193CC..Hα-helixtrans-77-44.2176.9-43.5179.2-101.100110.2F872 K873 E874 F879 Y880 P1050F872-Q876 HydrophobicContact CB-CB 4.14Å; F872-Q876 HydrophobicContact CG-CB 4.34Å; K873-Q876 HydrophobicContact CB-CG 4.27Å; K873-Q876 WeakPolarHBondContact O-CA 3.43Å; K873-Q876 WeakPolarHBondContact O-CB 3.28Å; K873-Q876 PolarHBondContact O-N 2.86Å; E874-Q876 PolarHBondContact O-N 2.93Å; Q876-F879 PolarHBondContact O-N 3.2Å; Q876-Y880 HydrophobicContact CB-CE2 4.42Å; Q876-Y880 WeakPolarHBondContact O-CD2 3.34Å; Q876-Y880 PolarHBondContact O-N 2.88Å; Q876-P1050 HydrophobicContact CB-CB 4.24Å; Q876-P1050 HydrophobicContact CB-CG 4.16Å; Q876-P1050 HydrophobicContact CG-CB 4Å; Q876-P1050 HydrophobicContact CG-CG 4.45Å
877A96.3Very high91.7Very high0 Ų037.4 Ų37.40%019%0.187CC..Hα-helixtrans-64.3-38.8175.700000112.1F872 K873 E874 A881 M968 L969F872-A877 HydrophobicContact CB-CB 4.31Å; K873-A877 PolarHBondContact O-N 2.64Å; E874-A877 PolarHBondContact O-N 2.72Å; A877-A881 WeakPolarHBondContact O-CB 3.4Å; A877-A881 PolarHBondContact O-N 2.88Å; A877-M968 HydrophobicContact CB-CB 4.01Å; A877-M968 HydrophobicContact CB-CE 4.34Å; A877-M968 HydrophobicContact CB-SD 4.35Å; A877-L969 HydrophobicContact CB-CD2 3.53Å; A877-L969 HydrophobicContact CB-CG 3.94Å
878V97.6Very high92.5Very high17 Ų1737.1 Ų37.110%0.10319%0.185CC..Hα-helixtrans-59.8-46.3172.5169.40000111.1E874 G882 F1033 F1034 L1037E874-V878 HydrophobicContact CG-CG2 4.44Å; E874-V878 WeakPolarHBondContact O-CB 3.35Å; E874-V878 VanDerWaalsContact O-CG2 3.27Å; E874-V878 WeakPolarHBondContact O-CG2 3.43Å; E874-V878 PolarHBondContact O-N 3.03Å; V878-G882 PolarHBondContact O-N 2.91Å; V878-F1033 HydrophobicContact CB-CE1 4.38Å; V878-F1033 HydrophobicContact CB-CZ 4.44Å; V878-F1033 HydrophobicContact CG2-CD1 3.98Å; V878-F1033 HydrophobicContact CG2-CD2 3.95Å; V878-F1033 HydrophobicContact CG2-CE1 3.66Å; V878-F1033 HydrophobicContact CG2-CE2 3.62Å; V878-F1033 HydrophobicContact CG2-CG 4.13Å; V878-F1033 HydrophobicContact CG2-CZ 3.47Å; V878-F1033 VanDerWaalsContact CG2-CZ 3.47Å; V878-F1033 WeakPolarHBondContact CG2-O 3.13Å; V878-F1034 HydrophobicContact CG1-CD1 3.98Å; V878-F1034 HydrophobicContact CG1-CE1 4.47Å; V878-F1034 WeakPolarHBondContact O-CE1 3.22Å; V878-L1037 HydrophobicContact CG1-CB 4.27Å; V878-L1037 HydrophobicContact CG1-CD2 4.33Å
879F97.8Very high93.7Very high9 Ų935 Ų354%0.03918%0.175CC..Hα-helixtrans-62.1-51.7178.2179.1-88.8000112P875 Q876 G882 C883 F913 L1042 I1047 P1049 P1050P875-F879 WeakPolarHBondContact O-CB 3.46Å; P875-F879 PolarHBondContact O-N 2.89Å; Q876-F879 PolarHBondContact O-N 3.2Å; F879-G882 WeakPolarHBondContact O-CA 3.38Å; F879-G882 PolarHBondContact O-N 3.28Å; F879-G882 VanDerWaalsContact O-N 3.11Å; F879-C883 PolarHBondContact O-N 2.84Å; F879-C883 VanDerWaalsContact O-N 3.15Å; F879-F913 HydrophobicContact CE1-CD1 4.35Å; F879-F913 HydrophobicContact CE2-CE1 4.34Å; F879-F913 AromaticContact CZ-CD1 3.66Å; F879-F913 HydrophobicContact CZ-CD1 3.66Å; F879-F913 AromaticContact CZ-CE1 3.75Å; F879-F913 HydrophobicContact CZ-CE1 3.75Å; F879-L1042 HydrophobicContact CD2-CD1 4Å; F879-L1042 HydrophobicContact CE2-CD1 3.5Å; F879-L1042 HydrophobicContact CZ-CD1 3.95Å; F879-I1047 HydrophobicContact CD2-CG2 4.01Å; F879-I1047 HydrophobicContact CE2-CB 4.2Å; F879-I1047 HydrophobicContact CE2-CG2 3.81Å; F879-P1049 HydrophobicContact CE1-CB 4.1Å; F879-P1049 HydrophobicContact CE1-CG 4.42Å; F879-P1049 HydrophobicContact CZ-CB 3.95Å; F879-P1049 HydrophobicContact CZ-CG 3.9Å; F879-P1050 HydrophobicContact CB-CG 4.18Å; F879-P1050 HydrophobicContact CD1-CG 3.85Å; F879-P1050 HydrophobicContact CE1-CG 4.48Å; F879-P1050 HydrophobicContact CG-CG 4.07Å
880Y97.6Very high95Very high1 Ų129.9 Ų29.90%0.00415%0.153CC..Hα-helixtrans-68.7-38.4-178.2-64.3-46.4000113.1L863 F872 Q876 G882 C883 V884 L908 V914 P1050L863-Y880 HydrophobicContact CD1-CG 4.34Å; L863-Y880 HydrophobicContact CD2-CD1 4.41Å; L863-Y880 HydrophobicContact CD2-CD2 4.27Å; L863-Y880 HydrophobicContact CD2-CE1 4.31Å; L863-Y880 HydrophobicContact CD2-CE2 4.16Å; L863-Y880 HydrophobicContact CD2-CG 4.39Å; F872-Y880 AromaticContact CD2-CD2 3.78Å; F872-Y880 HydrophobicContact CD2-CD2 3.78Å; F872-Y880 HydrophobicContact CD2-CE2 4.18Å; F872-Y880 HydrophobicContact CE1-CE2 4.44Å; F872-Y880 AromaticContact CE2-CD2 3.39Å; F872-Y880 HydrophobicContact CE2-CD2 3.39Å; F872-Y880 AromaticContact CE2-CE2 3.67Å; F872-Y880 HydrophobicContact CE2-CE2 3.67Å; F872-Y880 HydrophobicContact CE2-CG 4.47Å; F872-Y880 HydrophobicContact CZ-CD2 4.03Å; F872-Y880 AromaticContact CZ-CE2 3.82Å; F872-Y880 HydrophobicContact CZ-CE2 3.82Å; Q876-Y880 HydrophobicContact CB-CE2 4.42Å; Q876-Y880 WeakPolarHBondContact O-CD2 3.34Å; Q876-Y880 PolarHBondContact O-N 2.88Å; Y880-G882 PolarHBondContact O-N 2.91Å; Y880-C883 PolarHBondContact O-N 2.83Å; Y880-V884 WeakPolarHBondContact O-CG2 3.5Å; Y880-V884 PolarHBondContact O-N 2.85Å; Y880-L908 HydrophobicContact CE1-CD2 3.87Å; Y880-V914 HydrophobicContact CD1-CG2 3.38Å; Y880-V914 HydrophobicContact CE1-CG2 3.96Å; Y880-V914 HydrophobicContact CG-CG2 4.14Å; Y880-P1050 HydrophobicContact CE1-CG 4.38Å; Y880-P1050 HydrophobicContact CE2-CG 4.19Å
881A98.1Very high96.1Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-61.4-35.1170.100000111.7A877 V884 V885 L961 I965 M968 F1033 F1034A877-A881 WeakPolarHBondContact O-CB 3.4Å; A877-A881 PolarHBondContact O-N 2.88Å; A881-V884 PolarHBondContact O-N 2.84Å; A881-V885 VanDerWaalsContact O-CG2 3.3Å; A881-V885 WeakPolarHBondContact O-CG2 3.34Å; A881-V885 PolarHBondContact O-N 3.17Å; A881-L961 HydrophobicContact CB-CD1 4.41Å; A881-I965 HydrophobicContact CB-CD1 4.07Å; A881-I965 HydrophobicContact CB-CG1 3.91Å; A881-M968 HydrophobicContact CB-CE 4Å; A881-F1033 HydrophobicContact CB-CE1 4.48Å; A881-F1034 HydrophobicContact CB-CE1 3.93Å; A881-F1034 HydrophobicContact CB-CZ 3.85Å
882G98.2Very high96.7Very high0 Ų023 Ų230%011%0.114CC..Hα-helixtrans-62.3-44.3175.800000113.6V878 F879 Y880 V884 V885 L886V878-G882 PolarHBondContact O-N 2.91Å; F879-G882 WeakPolarHBondContact O-CA 3.38Å; F879-G882 PolarHBondContact O-N 3.28Å; F879-G882 VanDerWaalsContact O-N 3.11Å; Y880-G882 PolarHBondContact O-N 2.91Å; G882-V884 VanDerWaalsContact C-N 3.33Å; G882-V884 PolarHBondContact O-N 2.86Å; G882-V885 PolarHBondContact O-N 2.84Å; G882-L886 PolarHBondContact O-N 3.34Å
883C98.1Very high97.1Very high0 Ų026.5 Ų26.50%014%0.14CC..Hα-helixtrans-60.2-43.5173.8-68.10000111.5F837 F879 Y880 L886 G887 V914F837-C883 HydrophobicContact CB-CB 4.36Å; F837-C883 HydrophobicContact CD1-CB 4.08Å; F837-C883 HydrophobicContact CD2-CB 4.04Å; F837-C883 HydrophobicContact CE1-CB 4.41Å; F837-C883 HydrophobicContact CE2-CB 4.36Å; F837-C883 HydrophobicContact CG-CB 3.88Å; F879-C883 PolarHBondContact O-N 2.84Å; F879-C883 VanDerWaalsContact O-N 3.15Å; Y880-C883 PolarHBondContact O-N 2.83Å; C883-L886 PolarHBondContact O-N 3.04Å; C883-G887 PolarHBondContact O-N 3.32Å; C883-V914 HydrophobicContact CB-CB 3.93Å
884V98.3Very high97.3Very high0 Ų023.7 Ų23.70%013%0.128CC..Hα-helixtrans-66.3-41.8178.61720000111.9Y880 A881 G882 L886 G887 I888 L901 L906 V914 L961 L964Y880-V884 WeakPolarHBondContact O-CG2 3.5Å; Y880-V884 PolarHBondContact O-N 2.85Å; A881-V884 PolarHBondContact O-N 2.84Å; G882-V884 VanDerWaalsContact C-N 3.33Å; G882-V884 PolarHBondContact O-N 2.86Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.27Å; V884-G887 PolarHBondContact O-N 2.72Å; V884-I888 HydrophobicContact CG1-CD1 3.64Å; V884-I888 HydrophobicContact CG1-CG1 4.29Å; V884-I888 WeakPolarHBondContact O-CG1 3.29Å; V884-I888 PolarHBondContact O-N 3.44Å; V884-L901 HydrophobicContact CG1-CD1 3.74Å; V884-L901 HydrophobicContact CG1-CD2 3.93Å; V884-L901 HydrophobicContact CG1-CG 4.49Å; V884-L906 HydrophobicContact CG2-CD1 3.78Å; V884-L906 HydrophobicContact CG2-CD2 3.82Å; V884-L906 HydrophobicContact CG2-CG 4.48Å; V884-V914 HydrophobicContact CG2-CG1 4.36Å; V884-L961 HydrophobicContact CG1-CD1 4.01Å; V884-L964 HydrophobicContact CG1-CD2 4.26Å; V884-L964 HydrophobicContact CG2-CD2 4.16Å
885V98.5Very high97.5Very high0 Ų026.7 Ų26.70%014%0.141CC..Hα-helixtrans-58.3-44.1175.6165.80000111.1A881 G882 I888 E889 W958 L961 A1025 I1028 K1029 F1034 F1039A881-V885 VanDerWaalsContact O-CG2 3.3Å; A881-V885 WeakPolarHBondContact O-CG2 3.34Å; A881-V885 PolarHBondContact O-N 3.17Å; G882-V885 PolarHBondContact O-N 2.84Å; V885-I888 PolarHBondContact O-N 2.69Å; V885-E889 VanDerWaalsContact O-CB 3.22Å; V885-E889 WeakPolarHBondContact O-CB 3.4Å; V885-E889 PolarHBondContact O-N 3.31Å; V885-W958 HydrophobicContact CG2-CZ3 4.45Å; V885-L961 HydrophobicContact CG2-CD1 4.42Å; V885-L961 HydrophobicContact CG2-CD2 3.56Å; V885-A1025 HydrophobicContact CG1-CB 4.35Å; V885-I1028 HydrophobicContact CG1-CG2 4.36Å; V885-I1028 HydrophobicContact CG2-CG2 3.75Å; V885-K1029 HydrophobicContact CG1-CD 4.36Å; V885-K1029 HydrophobicContact CG1-CG 3.77Å; V885-F1034 HydrophobicContact CG2-CE2 4.42Å; V885-F1034 HydrophobicContact CG2-CZ 4.1Å; V885-F1039 HydrophobicContact CB-CE1 4.38Å; V885-F1039 HydrophobicContact CG1-CE1 4.13Å
886L98.4Very high97.6Very high11 Ų1122 Ų226%0.05811%0.11CC..Hα-helixtrans-67.5-38.5177-70.5167.1000112.5F837 G882 C883 V884 E889 F890 F1039 L1042 L1043F837-L886 HydrophobicContact CD2-CB 4.05Å; F837-L886 HydrophobicContact CD2-CD1 4.18Å; F837-L886 HydrophobicContact CE2-CB 4.43Å; F837-L886 HydrophobicContact CE2-CD1 3.7Å; G882-L886 PolarHBondContact O-N 3.34Å; C883-L886 PolarHBondContact O-N 3.04Å; V884-L886 VanDerWaalsContact C-N 3.32Å; V884-L886 PolarHBondContact O-N 3.27Å; L886-E889 PolarHBondContact O-N 3.03Å; L886-F890 PolarHBondContact O-N 2.8Å; L886-F1039 HydrophobicContact CD1-CD1 4.07Å; L886-F1039 HydrophobicContact CD2-CB 4.48Å; L886-F1039 HydrophobicContact CD2-CD1 4.12Å; L886-F1039 HydrophobicContact CG-CD1 3.96Å; L886-L1042 HydrophobicContact CD1-CB 4.31Å; L886-L1042 HydrophobicContact CD1-CD2 3.97Å; L886-L1042 HydrophobicContact CD1-CG 4.13Å; L886-L1043 HydrophobicContact CD1-CB 4.05Å; L886-L1043 HydrophobicContact CD1-CD1 4.43Å
887G97.9Very high97.7Very high0 Ų019.9 Ų19.90%010%0.1CC..Hα-helixtrans-62.3-45.5173.900000113.1C883 V884 F890 L891C883-G887 PolarHBondContact O-N 3.32Å; V884-G887 PolarHBondContact O-N 2.72Å; G887-F890 PolarHBondContact O-N 3.24Å; G887-L891 WeakPolarHBondContact O-CG 3.47Å; G887-L891 PolarHBondContact O-N 3.41Å
888I98.1Very high97.7Very high0 Ų020 Ų200%010%0.1CC..Hα-helixtrans-68.6-41.3176.7-62.6167.7000110.7V884 V885 F890 L891 H892 L901 M916 D957 W958V884-I888 HydrophobicContact CG1-CD1 3.64Å; V884-I888 HydrophobicContact CG1-CG1 4.29Å; V884-I888 WeakPolarHBondContact O-CG1 3.29Å; V884-I888 PolarHBondContact O-N 3.44Å; V885-I888 PolarHBondContact O-N 2.69Å; I888-F890 VanDerWaalsContact C-N 3.31Å; I888-F890 PolarHBondContact O-N 2.98Å; I888-L891 PolarHBondContact O-N 3.35Å; I888-L891 VanDerWaalsContact O-N 3.14Å; I888-H892 WeakPolarHBondContact CG2-NE2 3Å; I888-H892 WeakPolarHBondContact O-CB 3.36Å; I888-H892 PolarHBondContact O-N 2.84Å; I888-L901 HydrophobicContact CD1-CD2 3.99Å; I888-M916 HydrophobicContact CG1-CE 4.19Å; I888-D957 HydrophobicContact CD1-CB 4.46Å; I888-D957 HydrophobicContact CG2-CB 4.19Å; I888-W958 HydrophobicContact CB-CH2 3.75Å; I888-W958 HydrophobicContact CB-CZ3 3.84Å; I888-W958 HydrophobicContact CD1-CE3 4.29Å; I888-W958 HydrophobicContact CD1-CZ3 3.91Å; I888-W958 HydrophobicContact CG2-CE3 4.16Å; I888-W958 HydrophobicContact CG2-CH2 3.37Å; I888-W958 HydrophobicContact CG2-CZ2 3.74Å; I888-W958 HydrophobicContact CG2-CZ3 3.61Å
889E97.9Very high97.5Very high49 Ų4920.6 Ų20.623%0.22910%0.101CC..Hα-helixtrans-55-45.7174.7179.7170.4-167.300111.8V885 L886 S893 A1025 K1029V885-E889 VanDerWaalsContact O-CB 3.22Å; V885-E889 WeakPolarHBondContact O-CB 3.4Å; V885-E889 PolarHBondContact O-N 3.31Å; L886-E889 PolarHBondContact O-N 3.03Å; E889-S893 WeakPolarHBondContact O-CB 3.47Å; E889-S893 PolarHBondContact O-N 3.44Å; E889-A1025 HydrophobicContact CB-CB 3.59Å; E889-A1025 HydrophobicContact CG-CB 3.74Å; E889-K1029 IonicContact OE1-NZ 3.18Å; E889-K1029 PolarHBondContact OE1-NZ 3.45Å; E889-K1029 WeakPolarHBondContact OE2-CE 3.43Å; E889-K1029 IonicContact OE2-NZ 2.71Å; E889-K1029 PolarHBondContact OE2-NZ 3.24Å
890F98Very high97.3Very high25 Ų2520.6 Ų20.611%0.1110%0.101CC..Hα-helixtrans-59.3-50.6174.7175-94.2000111.6I829 I830 A833 H835 L838 L886 G887 I888 H892 S893 K894I829-F890 HydrophobicContact CG2-CE1 4.44Å; I829-F890 HydrophobicContact CG2-CZ 4.26Å; I830-F890 HydrophobicContact CG1-CE1 3.99Å; A833-F890 HydrophobicContact CB-CD2 4.49Å; A833-F890 HydrophobicContact CB-CE2 3.34Å; A833-F890 HydrophobicContact CB-CZ 3.41Å; A833-F890 VanDerWaalsContact CB-CZ 3.41Å; H835-F890 HydrophobicContact CB-CG 4.48Å; H835-F890 AromaticContact CD2-CD2 4Å; H835-F890 AromaticContact CD2-CG 3.93Å; L838-F890 HydrophobicContact CD1-CD1 3.48Å; L838-F890 VanDerWaalsContact CD1-CD1 3.48Å; L838-F890 HydrophobicContact CD1-CE1 4.08Å; L838-F890 HydrophobicContact CD1-CG 4.28Å; L886-F890 PolarHBondContact O-N 2.8Å; G887-F890 PolarHBondContact O-N 3.24Å; I888-F890 VanDerWaalsContact C-N 3.31Å; I888-F890 PolarHBondContact O-N 2.98Å; F890-H892 PolarHBondContact O-N 2.84Å; F890-S893 WeakPolarHBondContact O-CB 3.29Å; F890-S893 PolarHBondContact O-N 2.78Å; F890-S893 PolarHBondContact O-OG 3Å; F890-K894 HydrophobicContact CE1-CG 4.13Å; F890-K894 VanDerWaalsContact CE2-CE 3.48Å; F890-K894 HydrophobicContact CE2-CG 4.37Å; F890-K894 HydrophobicContact CZ-CD 4.43Å; F890-K894 HydrophobicContact CZ-CG 4.02Å; F890-K894 WeakPolarHBondContact O-CG 3.31Å; F890-K894 PolarHBondContact O-N 3.16Å
891L97.8Very high97Very high0 Ų020.8 Ų20.80%010%0.102CC..Hα-helixtrans-61.2-46.6-179.5-66.9172.8000111.6I826 I830 L838 G887 I888 S893 K894 K895 I896 Y898 F919I826-L891 HydrophobicContact CG2-CD2 4.46Å; I830-L891 HydrophobicContact CD1-CD2 4.25Å; I830-L891 HydrophobicContact CG1-CD2 4.43Å; L838-L891 HydrophobicContact CD1-CD2 4.23Å; L838-L891 HydrophobicContact CD1-CG 4.26Å; L838-L891 HydrophobicContact CD2-CD1 4.48Å; G887-L891 WeakPolarHBondContact O-CG 3.47Å; G887-L891 PolarHBondContact O-N 3.41Å; I888-L891 PolarHBondContact O-N 3.35Å; I888-L891 VanDerWaalsContact O-N 3.14Å; L891-S893 VanDerWaalsContact C-N 3.31Å; L891-S893 PolarHBondContact O-N 2.84Å; L891-K894 CarbonylContact O-C 3.58Å; L891-K894 WeakPolarHBondContact O-CA 3.46Å; L891-K894 WeakPolarHBondContact O-CB 3.21Å; L891-K894 PolarHBondContact O-N 3.46Å; L891-K895 PolarHBondContact O-N 3.09Å; L891-I896 CarbonylContact C-O 3.46Å; L891-I896 HydrophobicContact CB-CB 4.17Å; L891-I896 HydrophobicContact CB-CG2 4.45Å; L891-I896 HydrophobicContact CD2-CB 4.29Å; L891-I896 HydrophobicContact CD2-CD1 4.27Å; L891-I896 HydrophobicContact CD2-CG2 4.11Å; L891-I896 WeakPolarHBondContact O-CB 3.3Å; L891-I896 PolarHBondContact O-N 3.45Å; L891-Y898 HydrophobicContact CD1-CD2 3.97Å; L891-Y898 HydrophobicContact CD1-CG 4.35Å; L891-F919 HydrophobicContact CD1-CE1 4.31Å
892H97.8Very high96.7Very high6 Ų622.2 Ų22.23%0.02811%0.108CC..Hα-helixtrans-60.6-37.7175.7-76.6-167.2000112.2I888 F890 K894 K895 I896 D957 W958 D1024I888-H892 WeakPolarHBondContact CG2-NE2 3Å; I888-H892 WeakPolarHBondContact O-CB 3.36Å; I888-H892 PolarHBondContact O-N 2.84Å; F890-H892 PolarHBondContact O-N 2.84Å; H892-K894 PolarHBondContact O-N 3.17Å; H892-K895 PolarHBondContact O-N 2.97Å; H892-I896 PolarHBondContact CD2-O 3.01Å; H892-I896 PolarHBondContact N-O 3.43Å; H892-D957 IonicContact NE2-OD2 2.72Å; H892-W958 AromaticContact CE1-CE2 3.6Å; H892-W958 AromaticContact CE1-CZ2 3.76Å; H892-W958 AromaticContact CE1-NE1 3.51Å; H892-W958 AromaticContact ND1-CE2 3.8Å; H892-W958 AromaticContact ND1-CZ2 3.59Å; H892-W958 AromaticContact ND1-NE1 3.74Å; H892-D1024 VanDerWaalsContact CB-OD2 3.3Å; H892-D1024 WeakPolarHBondContact CB-OD2 3.26Å; H892-D1024 IonicContact CE1-OD1 2.89Å; H892-D1024 IonicContact CG-OD2 2.84Å; H892-D1024 VanDerWaalsContact ND1-CG 3.26Å; H892-D1024 IonicContact ND1-OD1 3.1Å; H892-D1024 PolarHBondContact ND1-OD1 2.81Å; H892-D1024 IonicContact ND1-OD2 2.68Å; H892-D1024 PolarHBondContact ND1-OD2 3.39Å
893S96.8Very high96.3Very high85 Ų8522.2 Ų22.259%0.59411%0.108SC*.Hα-helixtrans-62.6-28.8174.383.90000112.9E889 F890 L891 K895E889-S893 WeakPolarHBondContact O-CB 3.47Å; E889-S893 PolarHBondContact O-N 3.44Å; F890-S893 WeakPolarHBondContact O-CB 3.29Å; F890-S893 PolarHBondContact O-N 2.78Å; F890-S893 PolarHBondContact O-OG 3Å; L891-S893 VanDerWaalsContact C-N 3.31Å; L891-S893 PolarHBondContact O-N 2.84Å; S893-K895 VanDerWaalsContact C-N 3.34Å
894K97Very high95.8Very high101 Ų10125 Ų2544%0.43912%0.124SC..THydrogen-bonded Turntrans-89.35174.9-58.1-64.7-177.2174.10113.2I829 F890 L891 H892 I896I829-K894 HydrophobicContact CG2-CB 4.31Å; I829-K894 HydrophobicContact CG2-CD 3.84Å; I829-K894 HydrophobicContact CG2-CG 3.78Å; F890-K894 HydrophobicContact CE1-CG 4.13Å; F890-K894 VanDerWaalsContact CE2-CE 3.48Å; F890-K894 HydrophobicContact CE2-CG 4.37Å; F890-K894 HydrophobicContact CZ-CD 4.43Å; F890-K894 HydrophobicContact CZ-CG 4.02Å; F890-K894 WeakPolarHBondContact O-CG 3.31Å; F890-K894 PolarHBondContact O-N 3.16Å; L891-K894 CarbonylContact O-C 3.58Å; L891-K894 WeakPolarHBondContact O-CA 3.46Å; L891-K894 WeakPolarHBondContact O-CB 3.21Å; L891-K894 PolarHBondContact O-N 3.46Å; H892-K894 PolarHBondContact O-N 3.17Å; K894-I896 HydrophobicContact CB-CD1 3.74Å; K894-I896 HydrophobicContact CB-CG1 4.09Å
895K97.1Very high95.6Very high113 Ų11325.7 Ų25.749%0.49113%0.127SC..THydrogen-bonded Turntrans58.242.4-171.5-54-171.3177-1650113.1L891 H892 S893 E924 G925 M926L891-K895 PolarHBondContact O-N 3.09Å; H892-K895 PolarHBondContact O-N 2.97Å; S893-K895 VanDerWaalsContact C-N 3.34Å; K895-E924 CarbonylContact O-C 3.55Å; K895-G925 PolarHBondContact O-N 3.2Å; K895-M926 CarbonylContact C-O 3.59Å; K895-M926 WeakPolarHBondContact CA-O 3.04Å; K895-M926 PolarHBondContact O-N 3.37Å
896I97.1Very high95.5Very high1 Ų125.7 Ų25.71%0.00513%0.127CC..EExtended strand (participates in β ladder)trans-115.6127.7175.9-57.7164.4000108I826 I829 L891 H892 K894 C922 K923 E924I826-I896 HydrophobicContact CD1-CG2 3.8Å; I826-I896 HydrophobicContact CG1-CD1 4.02Å; I826-I896 HydrophobicContact CG1-CG1 4.44Å; I826-I896 HydrophobicContact CG1-CG2 4.26Å; I826-I896 HydrophobicContact CG2-CD1 4.25Å; I826-I896 HydrophobicContact CG2-CG2 4.38Å; I829-I896 HydrophobicContact CD1-CD1 4.36Å; I829-I896 HydrophobicContact CG2-CD1 4.49Å; L891-I896 CarbonylContact C-O 3.46Å; L891-I896 HydrophobicContact CB-CB 4.17Å; L891-I896 HydrophobicContact CB-CG2 4.45Å; L891-I896 HydrophobicContact CD2-CB 4.29Å; L891-I896 HydrophobicContact CD2-CD1 4.27Å; L891-I896 HydrophobicContact CD2-CG2 4.11Å; L891-I896 WeakPolarHBondContact O-CB 3.3Å; L891-I896 PolarHBondContact O-N 3.45Å; H892-I896 PolarHBondContact CD2-O 3.01Å; H892-I896 PolarHBondContact N-O 3.43Å; K894-I896 HydrophobicContact CB-CD1 3.74Å; K894-I896 HydrophobicContact CB-CG1 4.09Å; I896-C922 HydrophobicContact CG2-CB 4.06Å; I896-K923 WeakPolarHBondContact CA-O 3.41Å; I896-E924 HydrophobicContact CG1-CG 4.29Å
897V96.5Very high95.4Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-101.6141.8168.366.80000109.3R899 C922 K923 M926 R954 V956 D957V897-R899 HydrophobicContact CB-CG 4.32Å; V897-R899 HydrophobicContact CG1-CG 3.81Å; V897-R899 HydrophobicContact CG2-CG 3.74Å; V897-C922 CarbonylContact O-C 3.54Å; V897-C922 WeakPolarHBondContact O-CA 3.23Å; V897-C922 WeakPolarHBondContact O-CB 3.21Å; V897-K923 HydrophobicContact CG1-CB 3.96Å; V897-K923 PolarHBondContact N-O 3.19Å; V897-K923 PolarHBondContact O-N 3.29Å; V897-M926 HydrophobicContact CB-CB 4.1Å; V897-M926 HydrophobicContact CB-CG 4.39Å; V897-M926 HydrophobicContact CG1-CB 3.91Å; V897-M926 HydrophobicContact CG1-CG 3.66Å; V897-R954 HydrophobicContact CG2-CB 4.36Å; V897-V956 HydrophobicContact CG2-CG2 3.99Å; V897-D957 VanDerWaalsContact CG2-OD2 3.22Å; V897-D957 WeakPolarHBondContact CG2-OD2 3.49Å
898Y96.7Very high95.2Very high2 Ų226.9 Ų26.91%0.00813%0.133CC..  trans-91.6-46.2-168.9-178.4-104.5000113.8L891 D900 L901 N905 M916 A917 F919 L921 C922 D957L891-Y898 HydrophobicContact CD1-CD2 3.97Å; L891-Y898 HydrophobicContact CD1-CG 4.35Å; Y898-D900 VanDerWaalsContact C-N 3.29Å; Y898-D900 VanDerWaalsContact CE1-C 3.44Å; Y898-D900 WeakPolarHBondContact CE1-O 3.46Å; Y898-D900 PolarHBondContact O-N 2.82Å; Y898-D900 VanDerWaalsContact O-N 3.14Å; Y898-L901 HydrophobicContact CD1-CB 4.12Å; Y898-L901 HydrophobicContact CE1-CB 4.19Å; Y898-L901 HydrophobicContact CE1-CD1 4.33Å; Y898-N905 WeakPolarHBondContact OH-CB 3.36Å; Y898-N905 PolarHBondContact OH-ND2 2.83Å; Y898-M916 HydrophobicContact CD1-CE 3.88Å; Y898-M916 HydrophobicContact CD2-CE 4.05Å; Y898-M916 HydrophobicContact CE1-CE 3.84Å; Y898-M916 HydrophobicContact CE2-CE 4.05Å; Y898-M916 HydrophobicContact CG-CE 4Å; Y898-A917 PolarHBondContact OH-O 2.76Å; Y898-F919 AromaticContact CD2-CD1 3.96Å; Y898-F919 HydrophobicContact CD2-CD1 3.96Å; Y898-F919 HydrophobicContact CD2-CE1 4.12Å; Y898-F919 AromaticContact CE2-CD1 3.81Å; Y898-F919 HydrophobicContact CE2-CD1 3.81Å; Y898-F919 AromaticContact CE2-CE1 3.88Å; Y898-F919 HydrophobicContact CE2-CE1 3.88Å; Y898-L921 CarbonylContact O-C 3.32Å; Y898-C922 WeakPolarHBondContact CD2-SG 3.38Å; Y898-D957 WeakPolarHBondContact CB-OD2 3.38Å; Y898-D957 PolarHBondContact N-OD2 2.71Å
899R93.9Very high95.1Very high30 Ų3027.7 Ų27.711%0.11314%0.137CC..  trans650169.1-50.5-174-64.7173.8-0.3119.3V897 L921 C922 C936 Y952 V956 D957V897-R899 HydrophobicContact CB-CG 4.32Å; V897-R899 HydrophobicContact CG1-CG 3.81Å; V897-R899 HydrophobicContact CG2-CG 3.74Å; R899-L921 PolarHBondContact NE-O 3.18Å; R899-L921 PolarHBondContact NH2-O 3Å; R899-C922 PolarHBondContact NH2-O 3.18Å; R899-C936 PolarHBondContact NH1-SG 2.96Å; R899-C936 VanDerWaalsContact NH1-SG 3.36Å; R899-Y952 WeakPolarHBondContact CD-OH 3.34Å; R899-Y952 PolarHBondContact NH1-OH 3.1Å; R899-V956 HydrophobicContact CG-CG2 4.25Å; R899-D957 WeakPolarHBondContact CA-OD1 3.42Å; R899-D957 PolarHBondContact N-OD1 3.2Å
900D92.7Very high94.8Very high8 Ų828.1 Ų28.14%0.04315%0.146CC..  trans-13644.4175.8-165.640.2000112.3Y898 K902 N905 L921 T938Y898-D900 VanDerWaalsContact C-N 3.29Å; Y898-D900 VanDerWaalsContact CE1-C 3.44Å; Y898-D900 WeakPolarHBondContact CE1-O 3.46Å; Y898-D900 PolarHBondContact O-N 2.82Å; Y898-D900 VanDerWaalsContact O-N 3.14Å; D900-K902 PolarHBondContact O-N 2.74Å; D900-K902 IonicContact OD1-NZ 3.18Å; D900-K902 PolarHBondContact OD1-NZ 2.64Å; D900-K902 VanDerWaalsContact OD1-NZ 3.1Å; D900-K902 IonicContact OD2-NZ 2.69Å; D900-K902 PolarHBondContact OD2-NZ 2.99Å; D900-N905 PolarHBondContact O-ND2 3.44Å; D900-N905 PolarHBondContact OD2-ND2 2.9Å; D900-L921 HydrophobicContact CB-CB 4.12Å; D900-L921 HydrophobicContact CB-CD1 3.84Å; D900-T938 PolarHBondContact OD1-N 3.46Å; D900-T938 PolarHBondContact OD1-OG1 3.2Å
901L93.2Very high94.7Very high5 Ų532.3 Ų32.33%0.02617%0.166CC..  trans-70.3118.5176.5-172.466.5000110.7V884 I888 Y898 L906 M916 F941 L961 L964V884-L901 HydrophobicContact CG1-CD1 3.74Å; V884-L901 HydrophobicContact CG1-CD2 3.93Å; V884-L901 HydrophobicContact CG1-CG 4.49Å; I888-L901 HydrophobicContact CD1-CD2 3.99Å; Y898-L901 HydrophobicContact CD1-CB 4.12Å; Y898-L901 HydrophobicContact CE1-CB 4.19Å; Y898-L901 HydrophobicContact CE1-CD1 4.33Å; L901-L906 HydrophobicContact CD1-CD1 4.46Å; L901-L906 HydrophobicContact CD1-CD2 4.13Å; L901-M916 HydrophobicContact CD1-CE 4.1Å; L901-F941 WeakPolarHBondContact O-CD1 3.43Å; L901-F941 WeakPolarHBondContact O-CE1 3.47Å; L901-F941 WeakPolarHBondContact O-CG 3.19Å; L901-L961 HydrophobicContact CD2-CB 4.2Å; L901-L964 HydrophobicContact CD1-CD2 4.32Å; L901-L964 HydrophobicContact CD2-CD2 4.19Å; L901-L964 HydrophobicContact CG-CD2 4.26Å
902K90.5Very high94.5Very high30 Ų3032.3 Ų32.313%0.1317%0.166CC..  trans-162.7160.1178.165.1-162.7-174.8-147.30110D900 D904 N905 T938 F941D900-K902 PolarHBondContact O-N 2.74Å; D900-K902 IonicContact OD1-NZ 3.18Å; D900-K902 PolarHBondContact OD1-NZ 2.64Å; D900-K902 VanDerWaalsContact OD1-NZ 3.1Å; D900-K902 IonicContact OD2-NZ 2.69Å; D900-K902 PolarHBondContact OD2-NZ 2.99Å; K902-D904 HydrophobicContact CG-CB 4.32Å; K902-D904 WeakPolarHBondContact CG-OD2 3.48Å; K902-D904 PolarHBondContact O-N 3.46Å; K902-D904 VanDerWaalsContact O-N 3.15Å; K902-N905 WeakPolarHBondContact CE-OD1 3.18Å; K902-N905 HydrophobicContact CG-CB 4.24Å; K902-N905 PolarHBondContact O-N 3.09Å; K902-N905 VanDerWaalsContact O-N 3.13Å; K902-T938 HydrophobicContact CD-CG2 4.34Å; K902-T938 VanDerWaalsContact CD-OG1 3.28Å; K902-T938 WeakPolarHBondContact CD-OG1 3.39Å; K902-T938 PolarHBondContact NZ-OG1 3.28Å; K902-F941 HydrophobicContact CB-CD2 3.86Å; K902-F941 HydrophobicContact CB-CE1 4.41Å; K902-F941 HydrophobicContact CB-CE2 3.48Å; K902-F941 VanDerWaalsContact CB-CE2 3.48Å; K902-F941 HydrophobicContact CB-CG 4.5Å; K902-F941 HydrophobicContact CB-CZ 3.78Å
903L89.9Confident94.5Very high0 Ų032.3 Ų32.30%017%0.166CC..G310 helixtrans-58.1-29.3-176.8-67.4174.2000114.6L863 M864 I867 N905 L906 L964 E967 M968L863-L903 HydrophobicContact CB-CB 4.49Å; L863-L903 HydrophobicContact CB-CD2 3.99Å; L863-L903 HydrophobicContact CD1-CD2 4.41Å; M864-L903 HydrophobicContact CB-CB 3.72Å; M864-L903 HydrophobicContact SD-CB 4.46Å; M864-L903 HydrophobicContact SD-CD1 4Å; I867-L903 HydrophobicContact CB-CD1 4.42Å; I867-L903 HydrophobicContact CD1-CD1 3.45Å; I867-L903 VanDerWaalsContact CD1-CD1 3.45Å; I867-L903 HydrophobicContact CD1-CD2 3.57Å; I867-L903 HydrophobicContact CD1-CG 4.16Å; I867-L903 HydrophobicContact CG2-CD1 4.46Å; L903-N905 VanDerWaalsContact C-N 3.31Å; L903-N905 PolarHBondContact O-N 2.95Å; L903-L906 PolarHBondContact O-N 2.61Å; L903-L964 HydrophobicContact CD2-CD1 3.75Å; L903-L964 HydrophobicContact CG-CD1 4.03Å; L903-E967 HydrophobicContact CD1-CB 4.47Å; L903-E967 HydrophobicContact CD1-CG 3.79Å; L903-E967 WeakPolarHBondContact CD1-OE2 3.35Å; L903-E967 WeakPolarHBondContact CG-OE2 3.34Å; L903-M968 HydrophobicContact CD2-CG 4.03Å
904D88.6Confident94.5Very high60 Ų6028.2 Ų28.232%0.32114%0.137SC..G310 helixtrans-72-25.2-178.2-31.3-97.6000112.5R551 K902 L906R551-D904 IonicContact CZ-OD1 2.95Å; R551-D904 IonicContact CZ-OD2 3.53Å; R551-D904 VanDerWaalsContact CZ-OD2 3.24Å; R551-D904 VanDerWaalsContact NH1-CG 3.28Å; R551-D904 IonicContact NH1-OD1 2.95Å; R551-D904 PolarHBondContact NH1-OD1 2.76Å; R551-D904 IonicContact NH1-OD2 3.34Å; R551-D904 PolarHBondContact NH1-OD2 3.12Å; R551-D904 IonicContact NH2-OD1 3.09Å; R551-D904 IonicContact NH2-OD2 2.7Å; R551-D904 PolarHBondContact NH2-OD2 2.87Å; K902-D904 HydrophobicContact CG-CB 4.32Å; K902-D904 WeakPolarHBondContact CG-OD2 3.48Å; K902-D904 PolarHBondContact O-N 3.46Å; K902-D904 VanDerWaalsContact O-N 3.15Å; D904-L906 VanDerWaalsContact C-N 3.34Å
905N93.6Very high94.4Very high13 Ų1324.2 Ų24.27%0.0712%0.12CC..G310 helixtrans-924178.2-69.2-0.3000112.4Y898 D900 K902 L903 A917Y898-N905 WeakPolarHBondContact OH-CB 3.36Å; Y898-N905 PolarHBondContact OH-ND2 2.83Å; D900-N905 PolarHBondContact O-ND2 3.44Å; D900-N905 PolarHBondContact OD2-ND2 2.9Å; K902-N905 WeakPolarHBondContact CE-OD1 3.18Å; K902-N905 HydrophobicContact CG-CB 4.24Å; K902-N905 PolarHBondContact O-N 3.09Å; K902-N905 VanDerWaalsContact O-N 3.13Å; L903-N905 VanDerWaalsContact C-N 3.31Å; L903-N905 PolarHBondContact O-N 2.95Å; N905-A917 PolarHBondContact O-N 3.34Å
906L95.9Very high94.5Very high0 Ų018.8 Ų18.80%010%0.096CC..EExtended strand (participates in β ladder)trans-109.596.1179.9-60.5-179.1000109.1D862 L863 V884 L901 L903 D904 V914 M916 L964D862-L906 WeakPolarHBondContact CA-O 3.45Å; L863-L906 HydrophobicContact CB-CB 4.39Å; L863-L906 HydrophobicContact CD1-CB 3.76Å; L863-L906 HydrophobicContact CD1-CD1 3.9Å; L863-L906 HydrophobicContact CD1-CG 4.49Å; L863-L906 HydrophobicContact CG-CB 4.01Å; L863-L906 PolarHBondContact N-O 2.8Å; V884-L906 HydrophobicContact CG2-CD1 3.78Å; V884-L906 HydrophobicContact CG2-CD2 3.82Å; V884-L906 HydrophobicContact CG2-CG 4.48Å; L901-L906 HydrophobicContact CD1-CD1 4.46Å; L901-L906 HydrophobicContact CD1-CD2 4.13Å; L903-L906 PolarHBondContact O-N 2.61Å; D904-L906 VanDerWaalsContact C-N 3.34Å; L906-V914 HydrophobicContact CB-CG1 4.05Å; L906-V914 HydrophobicContact CD2-CG1 3.97Å; L906-V914 HydrophobicContact CG-CG1 4.46Å; L906-M916 HydrophobicContact CD2-CB 4.26Å; L906-M916 HydrophobicContact CD2-CG 3.65Å; L906-L964 HydrophobicContact CD1-CD1 3.87Å; L906-L964 HydrophobicContact CD1-CD2 3.71Å; L906-L964 HydrophobicContact CD1-CG 4.38Å
907L95.9Very high94.3Very high36 Ų3619.4 Ų19.419%0.18810%0.102CC..EExtended strand (participates in β ladder)trans-85156.8179.5-55.6-177.5000110.9I839 A858 G861 D862 V914 K915 A917I839-L907 HydrophobicContact CD1-CD1 4.2Å; A858-L907 HydrophobicContact CB-CB 3.96Å; A858-L907 HydrophobicContact CB-CD1 4.34Å; G861-L907 CarbonylContact O-C 3.45Å; G861-L907 VanDerWaalsContact O-CA 3.29Å; G861-L907 WeakPolarHBondContact O-CA 3.35Å; D862-L907 HydrophobicContact CB-CD2 4.04Å; L907-V914 CarbonylContact O-C 3.51Å; L907-V914 VanDerWaalsContact O-CA 3.29Å; L907-V914 WeakPolarHBondContact O-CA 3.48Å; L907-K915 PolarHBondContact N-O 2.89Å; L907-K915 PolarHBondContact O-N 2.73Å; L907-A917 HydrophobicContact CD1-CB 3.95Å; L907-A917 HydrophobicContact CG-CB 4.1Å
908L95.2Very high94Very high1 Ų122.9 Ų22.91%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-106.8135.5169.9-69.4179.6000110.9A858 Q859 G860 G861 L863 L866 Y880 F913 V914 F1051A858-L908 CarbonylContact C-O 3.34Å; A858-L908 VanDerWaalsContact C-O 3.3Å; A858-L908 WeakPolarHBondContact CB-O 3.36Å; Q859-L908 PolarHBondContact N-O 2.89Å; G860-L908 VanDerWaalsContact CA-O 3.26Å; G860-L908 WeakPolarHBondContact CA-O 3.18Å; G860-L908 PolarHBondContact N-O 3.29Å; G861-L908 PolarHBondContact O-N 3.19Å; L863-L908 HydrophobicContact CD2-CD1 4.01Å; L863-L908 HydrophobicContact CD2-CD2 3.83Å; L863-L908 HydrophobicContact CD2-CG 3.91Å; L866-L908 HydrophobicContact CD2-CD1 4.15Å; Y880-L908 HydrophobicContact CE1-CD2 3.87Å; L908-F913 WeakPolarHBondContact CA-O 3.24Å; L908-V914 HydrophobicContact CD2-CG2 3.74Å; L908-F1051 HydrophobicContact CD1-CD1 4.02Å; L908-F1051 HydrophobicContact CD1-CE1 4.06Å
909D94.1Very high93.8Very high16 Ų1623 Ų239%0.08612%0.121CC..  trans-77.5175.7164.663.430.1000112.1E911 G912 F913 K915 P1053D909-E911 PolarHBondContact O-N 2.79Å; D909-E911 PolarHBondContact OD1-N 2.88Å; D909-G912 PolarHBondContact O-N 2.83Å; D909-G912 VanDerWaalsContact O-N 3.16Å; D909-G912 PolarHBondContact OD1-N 2.76Å; D909-F913 PolarHBondContact N-O 2.82Å; D909-F913 VanDerWaalsContact N-O 3.08Å; D909-F913 PolarHBondContact OD1-N 2.83Å; D909-K915 HydrophobicContact CB-CD 4.33Å; D909-P1053 VanDerWaalsContact O-CG 3.26Å; D909-P1053 WeakPolarHBondContact O-CG 3.44Å
910S93.1Very high93.5Very high58 Ų5822.4 Ų22.441%0.40612%0.124SC..THydrogen-bonded Turntrans-60.3-20.6178.553.80000114.9V1052S910-V1052 WeakPolarHBondContact O-CG1 3.29Å
911E94.6Very high93.3Very high114 Ų11424.9 Ų24.953%0.53314%0.137SC..THydrogen-bonded Turntrans-90.9-21.8178.5-59.7-164.2124.200112D909 F913 P1049 V1052D909-E911 PolarHBondContact O-N 2.79Å; D909-E911 PolarHBondContact OD1-N 2.88Å; E911-F913 HydrophobicContact CB-CD2 4.01Å; E911-F913 HydrophobicContact CB-CE2 4.17Å; E911-P1049 WeakPolarHBondContact O-CG 3.17Å; E911-V1052 WeakPolarHBondContact O-CG2 3.4Å
912G94.5Very high93.3Very high0 Ų025.1 Ų25.10%014%0.139CC..SBendtrans103.414.9178.500000114.5D909 P1049D909-G912 PolarHBondContact O-N 2.83Å; D909-G912 VanDerWaalsContact O-N 3.16Å; D909-G912 PolarHBondContact OD1-N 2.76Å; G912-P1049 WeakPolarHBondContact O-CB 3.35Å
913F96.9Very high93.4Very high5 Ų527 Ų272%0.02215%0.147CC..  trans-81152.5168.6-62.7-82.3000111F837 F879 L908 D909 E911 L1042 Q1045 I1047 P1049F837-F913 HydrophobicContact CD1-CB 4.32Å; F837-F913 HydrophobicContact CE1-CB 3.97Å; F837-F913 AromaticContact CE1-CD1 3.72Å; F837-F913 HydrophobicContact CE1-CD1 3.72Å; F837-F913 HydrophobicContact CE1-CG 4.12Å; F837-F913 HydrophobicContact CZ-CD1 4.28Å; F879-F913 HydrophobicContact CE1-CD1 4.35Å; F879-F913 HydrophobicContact CE2-CE1 4.34Å; F879-F913 AromaticContact CZ-CD1 3.66Å; F879-F913 HydrophobicContact CZ-CD1 3.66Å; F879-F913 AromaticContact CZ-CE1 3.75Å; F879-F913 HydrophobicContact CZ-CE1 3.75Å; L908-F913 WeakPolarHBondContact CA-O 3.24Å; D909-F913 PolarHBondContact N-O 2.82Å; D909-F913 VanDerWaalsContact N-O 3.08Å; D909-F913 PolarHBondContact OD1-N 2.83Å; E911-F913 HydrophobicContact CB-CD2 4.01Å; E911-F913 HydrophobicContact CB-CE2 4.17Å; F913-L1042 HydrophobicContact CE1-CD1 4.49Å; F913-Q1045 HydrophobicContact CD1-CG 4.36Å; F913-Q1045 HydrophobicContact CD2-CG 4.36Å; F913-Q1045 HydrophobicContact CE1-CB 4.14Å; F913-Q1045 HydrophobicContact CE1-CG 4.15Å; F913-Q1045 HydrophobicContact CE2-CB 3.93Å; F913-Q1045 HydrophobicContact CE2-CG 4.14Å; F913-Q1045 HydrophobicContact CG-CG 4.47Å; F913-Q1045 HydrophobicContact CZ-CB 3.65Å; F913-Q1045 HydrophobicContact CZ-CG 4.04Å; F913-Q1045 WeakPolarHBondContact CZ-O 3.43Å; F913-I1047 WeakPolarHBondContact CE1-O 3.43Å; F913-I1047 WeakPolarHBondContact CZ-O 3.28Å; F913-P1049 HydrophobicContact CD1-CG 4.02Å; F913-P1049 HydrophobicContact CD2-CG 3.9Å; F913-P1049 HydrophobicContact CE1-CG 3.88Å; F913-P1049 HydrophobicContact CE2-CG 3.75Å; F913-P1049 HydrophobicContact CG-CG 4.02Å; F913-P1049 HydrophobicContact CZ-CG 3.74Å
914V96.9Very high93.6Very high0 Ų029.4 Ų29.40%016%0.158CC..EExtended strand (participates in β ladder)trans-85.3132.8179.2166.10000111.1F837 L863 Y880 C883 V884 L906 L907 L908F837-V914 WeakPolarHBondContact CA-O 3.45Å; F837-V914 VanDerWaalsContact CB-O 3.32Å; F837-V914 WeakPolarHBondContact CB-O 3.4Å; F837-V914 VanDerWaalsContact CD1-O 3.3Å; F837-V914 WeakPolarHBondContact CD1-O 3.23Å; L863-V914 HydrophobicContact CD1-CG2 3.88Å; L863-V914 HydrophobicContact CD2-CG2 4.26Å; L863-V914 HydrophobicContact CG-CG2 4.29Å; Y880-V914 HydrophobicContact CD1-CG2 3.38Å; Y880-V914 HydrophobicContact CE1-CG2 3.96Å; Y880-V914 HydrophobicContact CG-CG2 4.14Å; C883-V914 HydrophobicContact CB-CB 3.93Å; V884-V914 HydrophobicContact CG2-CG1 4.36Å; L906-V914 HydrophobicContact CB-CG1 4.05Å; L906-V914 HydrophobicContact CD2-CG1 3.97Å; L906-V914 HydrophobicContact CG-CG1 4.46Å; L907-V914 CarbonylContact O-C 3.51Å; L907-V914 VanDerWaalsContact O-CA 3.29Å; L907-V914 WeakPolarHBondContact O-CA 3.48Å; L908-V914 HydrophobicContact CD2-CG2 3.74Å
915K96.5Very high93.7Very high16 Ų1628.9 Ų28.97%0.0717%0.167CC..EExtended strand (participates in β ladder)trans-118.5116169.1-72.1175.8171.8-730109.9P836 F837 I839 E856 A858 L907 D909P836-K915 WeakPolarHBondContact O-CG 3.24Å; P836-K915 PolarHBondContact O-NZ 2.86Å; F837-K915 WeakPolarHBondContact O-CA 3.19Å; I839-K915 HydrophobicContact CD1-CB 3.68Å; I839-K915 HydrophobicContact CD1-CD 4.07Å; I839-K915 HydrophobicContact CD1-CG 4.47Å; I839-K915 HydrophobicContact CG1-CB 4.01Å; E856-K915 IonicContact OE1-NZ 3.64Å; E856-K915 PolarHBondContact OE1-NZ 2.9Å; E856-K915 WeakPolarHBondContact OE2-CE 3.45Å; E856-K915 IonicContact OE2-NZ 3.21Å; E856-K915 PolarHBondContact OE2-NZ 3.38Å; A858-K915 HydrophobicContact CB-CD 4.45Å; L907-K915 PolarHBondContact N-O 2.89Å; L907-K915 PolarHBondContact O-N 2.73Å; D909-K915 HydrophobicContact CB-CD 4.33Å
916M97.6Very high93.7Very high0 Ų028.3 Ų28.30%016%0.164CC..EExtended strand (participates in β ladder)trans-70.8132.9175.3-53.8176.656.300110.2F837 L838 I839 I888 Y898 L901 L906 F919F837-M916 PolarHBondContact O-N 2.86Å; L838-M916 HydrophobicContact CD2-CB 3.71Å; L838-M916 HydrophobicContact CD2-CG 3.94Å; L838-M916 HydrophobicContact CD2-SD 3.64Å; I839-M916 WeakPolarHBondContact CG1-O 3.35Å; I839-M916 PolarHBondContact N-O 2.82Å; I888-M916 HydrophobicContact CG1-CE 4.19Å; Y898-M916 HydrophobicContact CD1-CE 3.88Å; Y898-M916 HydrophobicContact CD2-CE 4.05Å; Y898-M916 HydrophobicContact CE1-CE 3.84Å; Y898-M916 HydrophobicContact CE2-CE 4.05Å; Y898-M916 HydrophobicContact CG-CE 4Å; L901-M916 HydrophobicContact CD1-CE 4.1Å; L906-M916 HydrophobicContact CD2-CB 4.26Å; L906-M916 HydrophobicContact CD2-CG 3.65Å; M916-F919 VanDerWaalsContact O-CZ 3.28Å; M916-F919 WeakPolarHBondContact O-CZ 3.39Å
917A94.3Very high93.4Very high14 Ų1428.3 Ų28.312%0.11616%0.164CC..  trans-117.8-178-17600000112.6I839 Y898 N905 L907I839-A917 HydrophobicContact CG1-CB 3.94Å; Y898-A917 PolarHBondContact OH-O 2.76Å; N905-A917 PolarHBondContact O-N 3.34Å; L907-A917 HydrophobicContact CD1-CB 3.95Å; L907-A917 HydrophobicContact CG-CB 4.1Å
918D90.4Very high93.1Very high73 Ų7329.4 Ų29.439%0.3917%0.173SC..  trans46.775.2173.3-15312.5000116K804 G920K804-D918 IonicContact NZ-OD1 2.72Å; K804-D918 PolarHBondContact NZ-OD1 2.88Å; D918-G920 PolarHBondContact O-N 2.71Å
919F92.5Very high92.8Very high4 Ų436.4 Ų36.42%0.01821%0.211CC..G310 helixtrans-80.79.5-178.7-58.5-86.8000113.6E823 I826 L827 I830 L838 I839 L891 Y898 M916 L921 C922E823-F919 HydrophobicContact CG-CB 4.31Å; I826-F919 HydrophobicContact CG2-CB 4.14Å; I826-F919 HydrophobicContact CG2-CD1 4.08Å; I826-F919 HydrophobicContact CG2-CG 4.23Å; L827-F919 HydrophobicContact CD2-CD2 3.52Å; L827-F919 HydrophobicContact CD2-CE2 3.79Å; L827-F919 HydrophobicContact CD2-CG 4.49Å; L827-F919 HydrophobicContact CG-CD2 4.11Å; I830-F919 HydrophobicContact CD1-CD1 3.9Å; I830-F919 HydrophobicContact CD1-CD2 4.25Å; I830-F919 HydrophobicContact CD1-CE1 3.52Å; I830-F919 HydrophobicContact CD1-CE2 3.89Å; I830-F919 HydrophobicContact CD1-CG 4.27Å; I830-F919 HydrophobicContact CD1-CZ 3.52Å; L838-F919 HydrophobicContact CB-CZ 4.17Å; L838-F919 HydrophobicContact CD2-CE1 4.21Å; L838-F919 HydrophobicContact CD2-CZ 4.15Å; I839-F919 HydrophobicContact CB-CE2 4.39Å; L891-F919 HydrophobicContact CD1-CE1 4.31Å; Y898-F919 AromaticContact CD2-CD1 3.96Å; Y898-F919 HydrophobicContact CD2-CD1 3.96Å; Y898-F919 HydrophobicContact CD2-CE1 4.12Å; Y898-F919 AromaticContact CE2-CD1 3.81Å; Y898-F919 HydrophobicContact CE2-CD1 3.81Å; Y898-F919 AromaticContact CE2-CE1 3.88Å; Y898-F919 HydrophobicContact CE2-CE1 3.88Å; M916-F919 VanDerWaalsContact O-CZ 3.28Å; M916-F919 WeakPolarHBondContact O-CZ 3.39Å; F919-L921 PolarHBondContact O-N 3.23Å; F919-L921 VanDerWaalsContact O-N 3.12Å; F919-C922 VanDerWaalsContact O-CB 3.3Å; F919-C922 WeakPolarHBondContact O-CB 3.41Å; F919-C922 PolarHBondContact O-N 2.96Å; F919-C922 PolarHBondContact O-SG 3.34Å; F919-C922 VanDerWaalsContact O-SG 3.4Å
920G87.5Confident92.7Very high17 Ų1738.7 Ų38.718%0.17522%0.223CC..G310 helixtrans-63.9-14.3-176.500000115.8T819 D918T819-G920 VanDerWaalsContact CG2-O 3.25Å; T819-G920 WeakPolarHBondContact CG2-O 3.34Å; D918-G920 PolarHBondContact O-N 2.71Å
921L87.4Confident92.6Very high61 Ų6142.4 Ų42.432%0.31923%0.228SC..G310 helixtrans-107.44.7173-69.9-176.9000114.1Y898 R899 D900 F919 C936Y898-L921 CarbonylContact O-C 3.32Å; R899-L921 PolarHBondContact NE-O 3.18Å; R899-L921 PolarHBondContact NH2-O 3Å; D900-L921 HydrophobicContact CB-CB 4.12Å; D900-L921 HydrophobicContact CB-CD1 3.84Å; F919-L921 PolarHBondContact O-N 3.23Å; F919-L921 VanDerWaalsContact O-N 3.12Å; L921-C936 HydrophobicContact CD2-CB 4.09Å
922C94Very high92.3Very high9 Ų937.1 Ų37.16%0.06120%0.204CC..  trans-67167.3176.5-640000112.7I826 I896 V897 Y898 R899 F919I826-C922 HydrophobicContact CD1-CB 3.38Å; I896-C922 HydrophobicContact CG2-CB 4.06Å; V897-C922 CarbonylContact O-C 3.54Å; V897-C922 WeakPolarHBondContact O-CA 3.23Å; V897-C922 WeakPolarHBondContact O-CB 3.21Å; Y898-C922 WeakPolarHBondContact CD2-SG 3.38Å; R899-C922 PolarHBondContact NH2-O 3.18Å; F919-C922 VanDerWaalsContact O-CB 3.3Å; F919-C922 WeakPolarHBondContact O-CB 3.41Å; F919-C922 PolarHBondContact O-N 2.96Å; F919-C922 PolarHBondContact O-SG 3.34Å; F919-C922 VanDerWaalsContact O-SG 3.4Å
923K91.7Very high91.8Very high69 Ų6941.4 Ų41.430%0.323%0.233SC..EExtended strand (participates in β ladder)trans-145.6123.1171.3176.6165.2175.9167.80112.1I896 V897 M926 T932I896-K923 WeakPolarHBondContact CA-O 3.41Å; V897-K923 HydrophobicContact CG1-CB 3.96Å; V897-K923 PolarHBondContact N-O 3.19Å; V897-K923 PolarHBondContact O-N 3.29Å; K923-M926 HydrophobicContact CB-CG 4.4Å; K923-M926 HydrophobicContact CD-CG 4.36Å; K923-M926 HydrophobicContact CG-CG 3.98Å; K923-T932 HydrophobicContact CD-CG2 4.36Å; K923-T932 WeakPolarHBondContact CD-OG1 3.19Å; K923-T932 PolarHBondContact NZ-OG1 2.89Å
924E93.4Very high91Very high51 Ų5144 Ų4424%0.23825%0.25CC..EExtended strand (participates in β ladder)trans-71.1160.8169.8-60.9174.9120.800111.7T822 R825 I826 K895 I896T822-E924 HydrophobicContact CG2-CG 4.11Å; R825-E924 IonicContact CZ-OE2 2.76Å; R825-E924 IonicContact NE-OE1 3.47Å; R825-E924 PolarHBondContact NE-OE1 3.45Å; R825-E924 IonicContact NE-OE2 3.81Å; R825-E924 PolarHBondContact NE-OE2 3.47Å; R825-E924 IonicContact NH2-OE2 2.87Å; R825-E924 PolarHBondContact NH2-OE2 2.94Å; I826-E924 HydrophobicContact CD1-CG 3.99Å; I826-E924 HydrophobicContact CG1-CG 3.79Å; K895-E924 CarbonylContact O-C 3.55Å; I896-E924 HydrophobicContact CG1-CG 4.29Å
925G92.5Very high90.3Very high49 Ų4946.5 Ų46.551%0.50526%0.261SS..SBendtrans77.723.1177.800000114.1K895 D930K895-G925 PolarHBondContact O-N 3.2Å; G925-D930 WeakPolarHBondContact O-CB 3.4Å
926M92.3Very high89.6Confident2 Ų246.7 Ų46.71%0.0126%0.264CS..  trans-111.576-178.7-69.1-67-51.500110.6K895 V897 K923 D930 T932K895-M926 CarbonylContact C-O 3.59Å; K895-M926 WeakPolarHBondContact CA-O 3.04Å; K895-M926 PolarHBondContact O-N 3.37Å; V897-M926 HydrophobicContact CB-CB 4.1Å; V897-M926 HydrophobicContact CB-CG 4.39Å; V897-M926 HydrophobicContact CG1-CB 3.91Å; V897-M926 HydrophobicContact CG1-CG 3.66Å; K923-M926 HydrophobicContact CB-CG 4.4Å; K923-M926 HydrophobicContact CD-CG 4.36Å; K923-M926 HydrophobicContact CG-CG 3.98Å; M926-D930 VanDerWaalsContact CE-O 3.28Å; M926-D930 WeakPolarHBondContact CE-O 3.38Å; M926-D930 HydrophobicContact SD-CB 4.35Å; M926-T932 HydrophobicContact CE-CG2 3.79Å; M926-T932 HydrophobicContact SD-CG2 3.81Å
927G90.7Very high88.7Confident0 Ų047.7 Ų47.70%027%0.274CS..  trans-77.7-166168.400000113.2D929 D930G927-D929 PolarHBondContact O-N 3.46Å; G927-D930 WeakPolarHBondContact CA-OD2 2.89Å; G927-D930 PolarHBondContact N-OD2 2.81Å
928P88.4Confident88Confident59 Ų5948.3 Ų48.338%0.38328%0.277SS..SBendtrans-60.7-43.3-174.1-2535.2000114.5
929D88.7Confident87.7Confident148 Ų14846.6 Ų46.679%0.79127%0.269SS*.SBendtrans-97.1-9.3-175.5-52.4-75.8000113.4G927G927-D929 PolarHBondContact O-N 3.46Å
930D92.5Very high87.4Confident64 Ų6447.8 Ų47.834%0.34228%0.275SS..  trans-73.2144.1-175.2-66.2-56.7000111.6G925 M926 G927G925-D930 WeakPolarHBondContact O-CB 3.4Å; M926-D930 VanDerWaalsContact CE-O 3.28Å; M926-D930 WeakPolarHBondContact CE-O 3.38Å; M926-D930 HydrophobicContact SD-CB 4.35Å; G927-D930 WeakPolarHBondContact CA-OD2 2.89Å; G927-D930 PolarHBondContact N-OD2 2.81Å
931R90.7Very high87.5Confident135 Ų13547.6 Ų47.651%0.50927%0.27SS..  trans-129150.8-176.4-58.7-170.180.395.1-4.2112.9S951 Y952 T953R931-S951 PolarHBondContact NE-OG 3.32Å; R931-S951 PolarHBondContact NH2-O 3.05Å; R931-Y952 CarbonylContact C-O 3.37Å; R931-Y952 VanDerWaalsContact CA-O 3.29Å; R931-Y952 WeakPolarHBondContact CA-O 3.24Å; R931-T953 HydrophobicContact CG-CG2 3.94Å
932T88.6Confident87.7Confident4 Ų445.1 Ų45.13%0.02526%0.256CS..BIsolated β-bridgetrans-138151.4176.3-1770000111.6K923 M926 S951 Y952K923-T932 HydrophobicContact CD-CG2 4.36Å; K923-T932 WeakPolarHBondContact CD-OG1 3.19Å; K923-T932 PolarHBondContact NZ-OG1 2.89Å; M926-T932 HydrophobicContact CE-CG2 3.79Å; M926-T932 HydrophobicContact SD-CG2 3.81Å; T932-S951 CarbonylContact O-C 3.51Å; T932-S951 WeakPolarHBondContact O-CA 3.43Å; T932-S951 WeakPolarHBondContact O-CB 3.46Å; T932-Y952 HydrophobicContact CG2-CD2 3.83Å; T932-Y952 HydrophobicContact CG2-CE1 4.23Å; T932-Y952 HydrophobicContact CG2-CE2 3.33Å; T932-Y952 HydrophobicContact CG2-CG 4.46Å; T932-Y952 PolarHBondContact N-O 2.99Å; T932-Y952 WeakPolarHBondContact O-CD1 3.49Å; T932-Y952 PolarHBondContact O-N 3.13Å
933S83.5Confident87.7Confident89 Ų8944.8 Ų44.862%0.62225%0.254SS*.  trans-111.7-6.4-175.852.70000114.5F935 S950S933-F935 PolarHBondContact O-N 3.42Å; S933-S950 VanDerWaalsContact CB-O 3.23Å; S933-S950 WeakPolarHBondContact CB-O 3.36Å
934T81.5Confident87.7Confident60 Ų6041.8 Ų41.837%0.36824%0.242SC..  trans-62.6120.5-175.7-43.60000111.9C936 Y952T934-C936 PolarHBondContact O-N 2.85Å; T934-Y952 VanDerWaalsContact O-CE1 3.31Å; T934-Y952 WeakPolarHBondContact O-CE1 3.34Å; T934-Y952 PolarHBondContact O-OH 3.49Å
935F82.4Confident87.7Confident52 Ų5239.7 Ų39.723%0.22823%0.232CC..  trans-78.5111.2173.5-171.8-101.1000110.8I567 I574 S933 L942 V946 L947 F984I567-F935 HydrophobicContact CG2-CD1 3.91Å; I574-F935 HydrophobicContact CD1-CD2 3.47Å; I574-F935 VanDerWaalsContact CD1-CD2 3.47Å; I574-F935 HydrophobicContact CD1-CE2 3.85Å; I574-F935 HydrophobicContact CD1-CG 4.2Å; I574-F935 HydrophobicContact CG1-CD2 4.25Å; S933-F935 PolarHBondContact O-N 3.42Å; F935-L942 HydrophobicContact CE2-CD1 3.8Å; F935-L942 HydrophobicContact CZ-CD1 3.6Å; F935-V946 HydrophobicContact CD2-CG1 3.86Å; F935-V946 HydrophobicContact CE2-CG1 4.12Å; F935-L947 HydrophobicContact CE2-CD2 4.06Å; F935-L947 HydrophobicContact CZ-CD2 4.39Å; F935-F984 HydrophobicContact CZ-CZ 4.32Å
936C80.3Confident87.6Confident20 Ų2037.8 Ų37.814%0.13521%0.211CC..  trans-161.6160.6-179.659.70000111.5R899 L921 T934 L942R899-C936 PolarHBondContact NH1-SG 2.96Å; R899-C936 VanDerWaalsContact NH1-SG 3.36Å; L921-C936 HydrophobicContact CD2-CB 4.09Å; T934-C936 PolarHBondContact O-N 2.85Å; C936-L942 VanDerWaalsContact O-CD2 3.3Å; C936-L942 WeakPolarHBondContact O-CD2 3.49Å
937G78.6Confident87.3Confident22 Ų2239 Ų3923%0.22722%0.217CC..SBendtrans120169.9-177.700000111.9
938T80.4Confident87Confident27 Ų2742.9 Ų42.917%0.16624%0.241CC..  trans-79.4128.5178.1-60.40000110.1D900 K902 E940 F941 L942D900-T938 PolarHBondContact OD1-N 3.46Å; D900-T938 PolarHBondContact OD1-OG1 3.2Å; K902-T938 HydrophobicContact CD-CG2 4.34Å; K902-T938 VanDerWaalsContact CD-OG1 3.28Å; K902-T938 WeakPolarHBondContact CD-OG1 3.39Å; K902-T938 PolarHBondContact NZ-OG1 3.28Å; T938-E940 VanDerWaalsContact C-N 3.3Å; T938-E940 HydrophobicContact CG2-CG 4.19Å; T938-E940 WeakPolarHBondContact CG2-OE1 3.44Å; T938-E940 PolarHBondContact O-N 3.31Å; T938-F941 HydrophobicContact CG2-CD2 4.34Å; T938-F941 PolarHBondContact O-N 3.08Å; T938-L942 PolarHBondContact O-N 3.14Å
939P85Confident86.8Confident36 Ų3644 Ų4423%0.23424%0.244CC..G310 helixtrans-49.7-39.4-165.9-34.437.5000117F941 F984 I987P939-F941 VanDerWaalsContact C-N 3.32Å; P939-F941 PolarHBondContact O-N 2.81Å; P939-F984 HydrophobicContact CB-CE1 3.84Å; P939-F984 HydrophobicContact CB-CZ 4.31Å; P939-I987 VanDerWaalsContact O-CD1 3.31Å; P939-I987 WeakPolarHBondContact O-CD1 3.45Å
940E84.4Confident86.1Confident29 Ų2942.2 Ų42.214%0.13624%0.243CC..G310 helixtrans-75.1-16.1-178.669.5-149.7164.400114.2R551 T938 I983R551-E940 WeakPolarHBondContact CG-OE2 3.33Å; R551-E940 IonicContact CZ-OE1 2.71Å; R551-E940 VanDerWaalsContact CZ-OE1 3.26Å; R551-E940 IonicContact NE-OE1 3.78Å; R551-E940 PolarHBondContact NE-OE1 2.97Å; R551-E940 IonicContact NE-OE2 3.89Å; R551-E940 IonicContact NH2-OE1 3.99Å; R551-E940 PolarHBondContact NH2-OE1 3.19Å; T938-E940 VanDerWaalsContact C-N 3.3Å; T938-E940 HydrophobicContact CG2-CG 4.19Å; T938-E940 WeakPolarHBondContact CG2-OE1 3.44Å; T938-E940 PolarHBondContact O-N 3.31Å; E940-I983 HydrophobicContact CB-CG2 4.43Å
941F89.9Confident85.9Confident14 Ų1440.5 Ų40.56%0.06124%0.236CC..G310 helixtrans-103.1-4.3177.8-75.1-87.9000113.4L901 K902 T938 P939 A943 V963 L964 E967L901-F941 WeakPolarHBondContact O-CD1 3.43Å; L901-F941 WeakPolarHBondContact O-CE1 3.47Å; L901-F941 WeakPolarHBondContact O-CG 3.19Å; K902-F941 HydrophobicContact CB-CD2 3.86Å; K902-F941 HydrophobicContact CB-CE1 4.41Å; K902-F941 HydrophobicContact CB-CE2 3.48Å; K902-F941 VanDerWaalsContact CB-CE2 3.48Å; K902-F941 HydrophobicContact CB-CG 4.5Å; K902-F941 HydrophobicContact CB-CZ 3.78Å; T938-F941 HydrophobicContact CG2-CD2 4.34Å; T938-F941 PolarHBondContact O-N 3.08Å; P939-F941 VanDerWaalsContact C-N 3.32Å; P939-F941 PolarHBondContact O-N 2.81Å; F941-A943 PolarHBondContact O-N 3.03Å; F941-V963 HydrophobicContact CD1-CB 3.68Å; F941-V963 HydrophobicContact CD1-CG1 3.5Å; F941-V963 HydrophobicContact CE1-CB 3.83Å; F941-V963 HydrophobicContact CE1-CG1 3.45Å; F941-V963 VanDerWaalsContact CE1-CG1 3.45Å; F941-V963 HydrophobicContact CG-CG1 4.16Å; F941-V963 HydrophobicContact CZ-CG1 4.03Å; F941-L964 HydrophobicContact CE1-CB 4.37Å; F941-L964 HydrophobicContact CE1-CD1 4.39Å; F941-E967 WeakPolarHBondContact CZ-OE2 3.36Å
942L91.2Very high85.9Confident8 Ų834.4 Ų34.44%0.04221%0.213CC..  trans-63.8131.6-179.8-63.6-177.1000111F935 C936 T938 V946 L947 W959 F984F935-L942 HydrophobicContact CE2-CD1 3.8Å; F935-L942 HydrophobicContact CZ-CD1 3.6Å; C936-L942 VanDerWaalsContact O-CD2 3.3Å; C936-L942 WeakPolarHBondContact O-CD2 3.49Å; T938-L942 PolarHBondContact O-N 3.14Å; L942-V946 HydrophobicContact CD2-CG1 4.32Å; L942-L947 HydrophobicContact CD1-CD2 4Å; L942-W959 PolarHBondContact O-NE1 2.83Å; L942-F984 HydrophobicContact CD1-CE1 3.89Å; L942-F984 HydrophobicContact CD1-CZ 4.46Å
943A94Very high86.2Confident2 Ų235.2 Ų35.22%0.01722%0.218CC..  trans-71.8148.1172.500000110.6F941 E945 V946 V956 W959F941-A943 PolarHBondContact O-N 3.03Å; A943-E945 HydrophobicContact CB-CG 4.48Å; A943-E945 WeakPolarHBondContact CB-OE2 3.42Å; A943-E945 PolarHBondContact O-N 3.35Å; A943-V946 HydrophobicContact CB-CG2 4.17Å; A943-V946 VanDerWaalsContact O-CB 3.31Å; A943-V946 WeakPolarHBondContact O-CB 3.45Å; A943-V946 PolarHBondContact O-N 3.16Å; A943-V956 HydrophobicContact CB-CB 4.08Å; A943-V956 HydrophobicContact CB-CG1 3.88Å; A943-W959 VanDerWaalsContact CA-CD1 3.44Å; A943-W959 HydrophobicContact CB-CB 3.76Å; A943-W959 HydrophobicContact CB-CD2 4.17Å; A943-W959 HydrophobicContact CB-CG 3.61Å
944P92.6Very high86.7Confident7 Ų731.7 Ų31.75%0.04519%0.191CC..Hα-helixtrans-59-34.5-174.121.6-32.4000112.8V946 L947 T948 W959 I987 R1012P944-V946 PolarHBondContact O-N 2.92Å; P944-L947 CarbonylContact O-C 3.49Å; P944-L947 WeakPolarHBondContact O-CA 3.11Å; P944-L947 WeakPolarHBondContact O-CB 3.43Å; P944-L947 PolarHBondContact O-N 3.06Å; P944-T948 PolarHBondContact O-N 3.46Å; P944-T948 PolarHBondContact O-OG1 2.89Å; P944-T948 VanDerWaalsContact O-OG1 3.12Å; P944-W959 HydrophobicContact CG-CE3 4.28Å; P944-W959 HydrophobicContact CG-CH2 4.03Å; P944-W959 HydrophobicContact CG-CZ3 3.89Å; P944-I987 HydrophobicContact CB-CG2 4.11Å; P944-R1012 HydrophobicContact CG-CB 4.28Å; P944-R1012 HydrophobicContact CG-CG 4.3Å
945E92.6Very high87.4Confident7 Ų728.8 Ų28.83%0.03317%0.173CC..Hα-helixtrans-63.5-24.117566.2-89.8-149.100113.7A943 L947 D949 V956 R1017A943-E945 HydrophobicContact CB-CG 4.48Å; A943-E945 WeakPolarHBondContact CB-OE2 3.42Å; A943-E945 PolarHBondContact O-N 3.35Å; E945-L947 PolarHBondContact O-N 2.82Å; E945-D949 HydrophobicContact CB-CB 4.3Å; E945-D949 WeakPolarHBondContact O-CB 3.29Å; E945-D949 PolarHBondContact O-N 2.89Å; E945-V956 HydrophobicContact CG-CG1 4.3Å; E945-R1017 IonicContact OE1-CZ 3.51Å; E945-R1017 IonicContact OE1-NH1 3.33Å; E945-R1017 PolarHBondContact OE1-NH1 3.16Å; E945-R1017 IonicContact OE1-NH2 3.48Å; E945-R1017 PolarHBondContact OE1-NH2 2.76Å; E945-R1017 IonicContact OE2-CZ 3.51Å; E945-R1017 IonicContact OE2-NH1 3.81Å; E945-R1017 PolarHBondContact OE2-NH1 3.11Å; E945-R1017 IonicContact OE2-NH2 3.86Å; E945-R1017 PolarHBondContact OE2-NH2 3.4Å
946V90.7Very high88.1Confident9 Ų927 Ų276%0.05517%0.166CC..Hα-helixtrans-73.5-20.7173.5-170.40000111.1I574 F935 L942 A943 P944 Y952 V956I574-V946 WeakPolarHBondContact CD1-O 3.45Å; F935-V946 HydrophobicContact CD2-CG1 3.86Å; F935-V946 HydrophobicContact CE2-CG1 4.12Å; L942-V946 HydrophobicContact CD2-CG1 4.32Å; A943-V946 HydrophobicContact CB-CG2 4.17Å; A943-V946 VanDerWaalsContact O-CB 3.31Å; A943-V946 WeakPolarHBondContact O-CB 3.45Å; A943-V946 PolarHBondContact O-N 3.16Å; P944-V946 PolarHBondContact O-N 2.92Å; V946-Y952 HydrophobicContact CB-CD1 4.38Å; V946-Y952 HydrophobicContact CG1-CD1 4.31Å; V946-Y952 HydrophobicContact CG1-CE1 4.08Å; V946-Y952 HydrophobicContact CG2-CD1 3.82Å; V946-Y952 HydrophobicContact CG2-CD2 4.42Å; V946-Y952 HydrophobicContact CG2-CE1 4.16Å; V946-Y952 HydrophobicContact CG2-CG 3.96Å; V946-V956 HydrophobicContact CG2-CG1 3.7Å
947L86.8Confident88.9Confident26 Ų2626.1 Ų26.114%0.13616%0.161CC..Hα-helixtrans-96.3-28.9177.4-58.6171.1000112.6F935 L942 P944 E945 F984 I987 V988F935-L947 HydrophobicContact CE2-CD2 4.06Å; F935-L947 HydrophobicContact CZ-CD2 4.39Å; L942-L947 HydrophobicContact CD1-CD2 4Å; P944-L947 CarbonylContact O-C 3.49Å; P944-L947 WeakPolarHBondContact O-CA 3.11Å; P944-L947 WeakPolarHBondContact O-CB 3.43Å; P944-L947 PolarHBondContact O-N 3.06Å; E945-L947 PolarHBondContact O-N 2.82Å; L947-F984 HydrophobicContact CD1-CB 4.03Å; L947-F984 HydrophobicContact CD1-CD1 3.99Å; L947-F984 HydrophobicContact CD1-CG 4.28Å; L947-F984 HydrophobicContact CD2-CB 4.19Å; L947-F984 HydrophobicContact CD2-CD1 3.47Å; L947-F984 VanDerWaalsContact CD2-CD1 3.47Å; L947-F984 HydrophobicContact CD2-CD2 4.24Å; L947-F984 HydrophobicContact CD2-CE1 3.84Å; L947-F984 HydrophobicContact CD2-CG 3.71Å; L947-F984 HydrophobicContact CD2-CZ 4.38Å; L947-F984 HydrophobicContact CG-CD1 4.41Å; L947-I987 HydrophobicContact CD1-CB 3.92Å; L947-I987 HydrophobicContact CD1-CD1 4.17Å; L947-I987 HydrophobicContact CD1-CG2 3.6Å; L947-V988 HydrophobicContact CB-CG2 4.02Å; L947-V988 HydrophobicContact CD1-CG2 3.89Å
948T83.5Confident89.8Confident82 Ų8225.1 Ų25.150%0.50315%0.15SC..Hα-helixtrans-109.2-32.3-172.261.80000115.4P944 V988P944-T948 PolarHBondContact O-N 3.46Å; P944-T948 PolarHBondContact O-OG1 2.89Å; P944-T948 VanDerWaalsContact O-OG1 3.12Å; T948-V988 HydrophobicContact CG2-CG1 3.96Å; T948-V988 HydrophobicContact CG2-CG2 3.89Å
949D84.3Confident90.7Very high83 Ų8323.8 Ų23.844%0.44414%0.142SC..SBendtrans-102.1162.9-168.6-63.610.1000111.5E945 S951E945-D949 HydrophobicContact CB-CB 4.3Å; E945-D949 WeakPolarHBondContact O-CB 3.29Å; E945-D949 PolarHBondContact O-N 2.89Å; D949-S951 VanDerWaalsContact C-N 3.3Å
950S75.5Confident91.2Very high110 Ų11022.2 Ų22.277%0.76913%0.132SC*.SBendtrans-77.7-13.7174.356.30000113.9S933S933-S950 VanDerWaalsContact CB-O 3.23Å; S933-S950 WeakPolarHBondContact CB-O 3.36Å
951S86.9Confident91.9Very high28 Ų2820.9 Ų20.920%0.19613%0.126CC..  trans-164.9152.7177.262.70000112.3R931 T932 D949R931-S951 PolarHBondContact NE-OG 3.32Å; R931-S951 PolarHBondContact NH2-O 3.05Å; T932-S951 CarbonylContact O-C 3.51Å; T932-S951 WeakPolarHBondContact O-CA 3.43Å; T932-S951 WeakPolarHBondContact O-CB 3.46Å; D949-S951 VanDerWaalsContact C-N 3.3Å
952Y91.3Very high92.2Very high7 Ų720.2 Ų20.23%0.02712%0.123CC..BIsolated β-bridgetrans-129166.7-179.358.2-92.6000111.8R899 R931 T932 T934 V946 V956R899-Y952 WeakPolarHBondContact CD-OH 3.34Å; R899-Y952 PolarHBondContact NH1-OH 3.1Å; R931-Y952 CarbonylContact C-O 3.37Å; R931-Y952 VanDerWaalsContact CA-O 3.29Å; R931-Y952 WeakPolarHBondContact CA-O 3.24Å; T932-Y952 HydrophobicContact CG2-CD2 3.83Å; T932-Y952 HydrophobicContact CG2-CE1 4.23Å; T932-Y952 HydrophobicContact CG2-CE2 3.33Å; T932-Y952 HydrophobicContact CG2-CG 4.46Å; T932-Y952 PolarHBondContact N-O 2.99Å; T932-Y952 WeakPolarHBondContact O-CD1 3.49Å; T932-Y952 PolarHBondContact O-N 3.13Å; T934-Y952 VanDerWaalsContact O-CE1 3.31Å; T934-Y952 WeakPolarHBondContact O-CE1 3.34Å; T934-Y952 PolarHBondContact O-OH 3.49Å; V946-Y952 HydrophobicContact CB-CD1 4.38Å; V946-Y952 HydrophobicContact CG1-CD1 4.31Å; V946-Y952 HydrophobicContact CG1-CE1 4.08Å; V946-Y952 HydrophobicContact CG2-CD1 3.82Å; V946-Y952 HydrophobicContact CG2-CD2 4.42Å; V946-Y952 HydrophobicContact CG2-CE1 4.16Å; V946-Y952 HydrophobicContact CG2-CG 3.96Å; Y952-V956 HydrophobicContact CD2-CB 4.37Å; Y952-V956 HydrophobicContact CD2-CG1 3.45Å; Y952-V956 VanDerWaalsContact CD2-CG1 3.45Å; Y952-V956 HydrophobicContact CD2-CG2 3.99Å; Y952-V956 HydrophobicContact CE2-CG1 4.23Å; Y952-V956 HydrophobicContact CE2-CG2 4.1Å; Y952-V956 HydrophobicContact CG-CG1 3.83Å
953T93.9Very high92.5Very high22 Ų2219.9 Ų19.914%0.13512%0.121CC..  trans-109.5-172.5178.862.80000110.9R931 A955R931-T953 HydrophobicContact CG-CG2 3.94Å; T953-A955 PolarHBondContact O-N 3.31Å; T953-A955 VanDerWaalsContact O-N 3.07Å; T953-A955 WeakPolarHBondContact OG1-CB 3.36Å; T953-A955 PolarHBondContact OG1-N 2.92Å
954R95.5Very high92.6Very high14 Ų1419.8 Ų19.85%0.05312%0.121CC..THydrogen-bonded Turntrans-56.1-15.6169.469.7-179.6-178.51690.9115.5V897 V956 D957 S1021 D1024V897-R954 HydrophobicContact CG2-CB 4.36Å; R954-V956 PolarHBondContact O-N 3.21Å; R954-D957 PolarHBondContact O-N 3.05Å; R954-S1021 PolarHBondContact NH2-O 2.99Å; R954-D1024 VanDerWaalsContact CZ-CG 3.43Å; R954-D1024 IonicContact CZ-OD1 3.85Å; R954-D1024 IonicContact NE-OD1 3.49Å; R954-D1024 PolarHBondContact NE-OD1 3.44Å; R954-D1024 VanDerWaalsContact NH1-CG 3.3Å; R954-D1024 IonicContact NH1-OD1 2.95Å; R954-D1024 PolarHBondContact NH1-OD1 2.74Å; R954-D1024 IonicContact NH1-OD2 2.73Å; R954-D1024 IonicContact NH2-OD1 3.95Å
955A96.2Very high92.8Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-61.1-12.2-179.700000114.9T953 W959 A1014 R1017 S1020T953-A955 PolarHBondContact O-N 3.31Å; T953-A955 VanDerWaalsContact O-N 3.07Å; T953-A955 WeakPolarHBondContact OG1-CB 3.36Å; T953-A955 PolarHBondContact OG1-N 2.92Å; A955-W959 PolarHBondContact O-N 3.4Å; A955-A1014 HydrophobicContact CB-CB 4.29Å; A955-R1017 PolarHBondContact O-NH1 2.78Å; A955-S1020 WeakPolarHBondContact CB-OG 3.39Å
956V96.4Very high92.9Very high13 Ų1319.5 Ų19.58%0.07912%0.119CC..Hα-helixtrans-67.7-32.4175-58.60000112.9V897 R899 A943 E945 V946 Y952 R954 W958 W959 G960V897-V956 HydrophobicContact CG2-CG2 3.99Å; R899-V956 HydrophobicContact CG-CG2 4.25Å; A943-V956 HydrophobicContact CB-CB 4.08Å; A943-V956 HydrophobicContact CB-CG1 3.88Å; E945-V956 HydrophobicContact CG-CG1 4.3Å; V946-V956 HydrophobicContact CG2-CG1 3.7Å; Y952-V956 HydrophobicContact CD2-CB 4.37Å; Y952-V956 HydrophobicContact CD2-CG1 3.45Å; Y952-V956 VanDerWaalsContact CD2-CG1 3.45Å; Y952-V956 HydrophobicContact CD2-CG2 3.99Å; Y952-V956 HydrophobicContact CE2-CG1 4.23Å; Y952-V956 HydrophobicContact CE2-CG2 4.1Å; Y952-V956 HydrophobicContact CG-CG1 3.83Å; R954-V956 PolarHBondContact O-N 3.21Å; V956-W958 VanDerWaalsContact C-N 3.33Å; V956-W958 PolarHBondContact O-N 3.01Å; V956-W959 WeakPolarHBondContact O-CB 3.41Å; V956-W959 PolarHBondContact O-N 2.56Å; V956-G960 PolarHBondContact O-N 2.87Å
957D97.6Very high93Very high3 Ų319.2 Ų19.22%0.01612%0.117CC..Hα-helixtrans-71-33179-71.2-11.3000111.1I888 H892 V897 Y898 R899 R954 G960 L961I888-D957 HydrophobicContact CD1-CB 4.46Å; I888-D957 HydrophobicContact CG2-CB 4.19Å; H892-D957 IonicContact NE2-OD2 2.72Å; V897-D957 VanDerWaalsContact CG2-OD2 3.22Å; V897-D957 WeakPolarHBondContact CG2-OD2 3.49Å; Y898-D957 WeakPolarHBondContact CB-OD2 3.38Å; Y898-D957 PolarHBondContact N-OD2 2.71Å; R899-D957 WeakPolarHBondContact CA-OD1 3.42Å; R899-D957 PolarHBondContact N-OD1 3.2Å; R954-D957 PolarHBondContact O-N 3.05Å; D957-G960 PolarHBondContact O-N 2.95Å; D957-L961 PolarHBondContact O-N 2.93Å
958W98.1Very high93.4Very high0 Ų018 Ų180%011%0.11CC..Hα-helixtrans-72.4-30.8173.7-58138.3000113.2V885 I888 H892 V956 L961 G962 L1009 G1019 D1024 A1025 I1028V885-W958 HydrophobicContact CG2-CZ3 4.45Å; I888-W958 HydrophobicContact CB-CH2 3.75Å; I888-W958 HydrophobicContact CB-CZ3 3.84Å; I888-W958 HydrophobicContact CD1-CE3 4.29Å; I888-W958 HydrophobicContact CD1-CZ3 3.91Å; I888-W958 HydrophobicContact CG2-CE3 4.16Å; I888-W958 HydrophobicContact CG2-CH2 3.37Å; I888-W958 HydrophobicContact CG2-CZ2 3.74Å; I888-W958 HydrophobicContact CG2-CZ3 3.61Å; H892-W958 AromaticContact CE1-CE2 3.6Å; H892-W958 AromaticContact CE1-CZ2 3.76Å; H892-W958 AromaticContact CE1-NE1 3.51Å; H892-W958 AromaticContact ND1-CE2 3.8Å; H892-W958 AromaticContact ND1-CZ2 3.59Å; H892-W958 AromaticContact ND1-NE1 3.74Å; V956-W958 VanDerWaalsContact C-N 3.33Å; V956-W958 PolarHBondContact O-N 3.01Å; W958-L961 HydrophobicContact CE3-CB 4.41Å; W958-L961 HydrophobicContact CE3-CD2 3.8Å; W958-L961 HydrophobicContact CZ3-CD2 3.97Å; W958-L961 PolarHBondContact O-N 2.95Å; W958-G962 PolarHBondContact O-N 2.85Å; W958-L1009 HydrophobicContact CB-CD2 4.15Å; W958-L1009 WeakPolarHBondContact O-CD2 3.5Å; W958-G1019 VanDerWaalsContact CD1-C 3.48Å; W958-G1019 PolarHBondContact NE1-O 2.91Å; W958-G1019 VanDerWaalsContact NE1-O 3.07Å; W958-D1024 WeakPolarHBondContact CZ2-OD2 3.48Å; W958-D1024 PolarHBondContact NE1-OD1 2.82Å; W958-A1025 HydrophobicContact CH2-CB 3.77Å; W958-A1025 HydrophobicContact CZ2-CB 3.85Å; W958-I1028 HydrophobicContact CB-CD1 4.39Å; W958-I1028 HydrophobicContact CD2-CD1 3.28Å; W958-I1028 HydrophobicContact CE3-CD1 3.22Å; W958-I1028 HydrophobicContact CG-CD1 3.82Å; W958-I1028 HydrophobicContact CH2-CD1 3.97Å; W958-I1028 HydrophobicContact CZ2-CD1 4.02Å; W958-I1028 HydrophobicContact CZ3-CD1 3.59Å
959W97.7Very high93.9Very high0 Ų014.5 Ų14.50%09%0.088CC..Hα-helixtrans-63.7-47.4165.4172-85.5000111L942 A943 P944 A955 V956 L961 G962 V963 F975 I987 L1010L942-W959 PolarHBondContact O-NE1 2.83Å; A943-W959 VanDerWaalsContact CA-CD1 3.44Å; A943-W959 HydrophobicContact CB-CB 3.76Å; A943-W959 HydrophobicContact CB-CD2 4.17Å; A943-W959 HydrophobicContact CB-CG 3.61Å; P944-W959 HydrophobicContact CG-CE3 4.28Å; P944-W959 HydrophobicContact CG-CH2 4.03Å; P944-W959 HydrophobicContact CG-CZ3 3.89Å; A955-W959 PolarHBondContact O-N 3.4Å; V956-W959 WeakPolarHBondContact O-CB 3.41Å; V956-W959 PolarHBondContact O-N 2.56Å; W959-L961 VanDerWaalsContact C-N 3.25Å; W959-L961 PolarHBondContact O-N 2.9Å; W959-G962 WeakPolarHBondContact O-CA 3.31Å; W959-G962 PolarHBondContact O-N 2.95Å; W959-V963 PolarHBondContact O-N 3.02Å; W959-F975 HydrophobicContact CH2-CE1 4.39Å; W959-F975 AromaticContact CH2-CE2 3.73Å; W959-F975 HydrophobicContact CH2-CE2 3.73Å; W959-F975 AromaticContact CH2-CZ 3.47Å; W959-F975 HydrophobicContact CH2-CZ 3.47Å; W959-F975 VanDerWaalsContact CH2-CZ 3.47Å; W959-F975 HydrophobicContact CZ2-CD2 4.06Å; W959-F975 AromaticContact CZ2-CE2 3.23Å; W959-F975 HydrophobicContact CZ2-CE2 3.23Å; W959-F975 AromaticContact CZ2-CZ 3.52Å; W959-F975 HydrophobicContact CZ2-CZ 3.52Å; W959-I987 HydrophobicContact CH2-CG2 4.46Å; W959-I987 HydrophobicContact CZ2-CG2 3.87Å; W959-L1010 HydrophobicContact CD2-CD2 3.91Å; W959-L1010 HydrophobicContact CE3-CD2 3.99Å; W959-L1010 HydrophobicContact CG-CD2 4.46Å; W959-L1010 HydrophobicContact CH2-CD2 4.37Å; W959-L1010 HydrophobicContact CZ2-CD2 4.28Å; W959-L1010 HydrophobicContact CZ3-CB 4.27Å; W959-L1010 HydrophobicContact CZ3-CD2 4.23Å; W959-L1010 VanDerWaalsContact CZ3-O 3.3Å; W959-L1010 WeakPolarHBondContact CZ3-O 3.34Å
960G96.9Very high94.2Very high3 Ų310.9 Ų10.93%0.0317%0.069CC..Hα-helixtrans-54.6-40.8175.300000112.5V956 D957 G962 V963 L964V956-G960 PolarHBondContact O-N 2.87Å; D957-G960 PolarHBondContact O-N 2.95Å; G960-G962 VanDerWaalsContact C-N 3.33Å; G960-G962 PolarHBondContact O-N 2.93Å; G960-V963 PolarHBondContact O-N 2.69Å; G960-L964 WeakPolarHBondContact O-CB 3.31Å; G960-L964 PolarHBondContact O-N 3.27Å
961L98.1Very high94.7Very high0 Ų06 Ų60%04%0.037CC..Hα-helixtrans-63.1-38.1175-179.765.7000112A881 V884 V885 L901 D957 W958 W959 L964 I965 L1009 I1028A881-L961 HydrophobicContact CB-CD1 4.41Å; V884-L961 HydrophobicContact CG1-CD1 4.01Å; V885-L961 HydrophobicContact CG2-CD1 4.42Å; V885-L961 HydrophobicContact CG2-CD2 3.56Å; L901-L961 HydrophobicContact CD2-CB 4.2Å; D957-L961 PolarHBondContact O-N 2.93Å; W958-L961 HydrophobicContact CE3-CB 4.41Å; W958-L961 HydrophobicContact CE3-CD2 3.8Å; W958-L961 HydrophobicContact CZ3-CD2 3.97Å; W958-L961 PolarHBondContact O-N 2.95Å; W959-L961 VanDerWaalsContact C-N 3.25Å; W959-L961 PolarHBondContact O-N 2.9Å; L961-L964 HydrophobicContact CD1-CD2 4.41Å; L961-L964 PolarHBondContact O-N 3.19Å; L961-I965 HydrophobicContact CD1-CD1 4.05Å; L961-I965 HydrophobicContact CD1-CG1 4.24Å; L961-I965 HydrophobicContact CG-CD1 3.93Å; L961-I965 HydrophobicContact CG-CG1 4.49Å; L961-I965 WeakPolarHBondContact O-CB 3.39Å; L961-I965 VanDerWaalsContact O-CG1 3.29Å; L961-I965 WeakPolarHBondContact O-CG1 3.2Å; L961-I965 PolarHBondContact O-N 2.75Å; L961-L1009 HydrophobicContact CB-CD1 4.46Å; L961-L1009 HydrophobicContact CD2-CD1 4.13Å; L961-L1009 HydrophobicContact CG-CD1 4.07Å; L961-I1028 HydrophobicContact CD2-CD1 4.33Å; L961-I1028 HydrophobicContact CD2-CG2 4.13Å
962G97.7Very high94.6Very high0 Ų06.4 Ų6.40%04%0.036CC..Hα-helixtrans-62.3-42.2173.600000112.8W958 W959 G960 F966W958-G962 PolarHBondContact O-N 2.85Å; W959-G962 WeakPolarHBondContact O-CA 3.31Å; W959-G962 PolarHBondContact O-N 2.95Å; G960-G962 VanDerWaalsContact C-N 3.33Å; G960-G962 PolarHBondContact O-N 2.93Å; G962-F966 PolarHBondContact O-N 2.95Å
963V96.3Very high94.4Very high2 Ų27.5 Ų7.51%0.0124%0.044CC..Hα-helixtrans-66-44.9174.9179.80000110.6F941 W959 G960 I965 F966 E967 P974 F975 L1010F941-V963 HydrophobicContact CD1-CB 3.68Å; F941-V963 HydrophobicContact CD1-CG1 3.5Å; F941-V963 HydrophobicContact CE1-CB 3.83Å; F941-V963 HydrophobicContact CE1-CG1 3.45Å; F941-V963 VanDerWaalsContact CE1-CG1 3.45Å; F941-V963 HydrophobicContact CG-CG1 4.16Å; F941-V963 HydrophobicContact CZ-CG1 4.03Å; W959-V963 PolarHBondContact O-N 3.02Å; G960-V963 PolarHBondContact O-N 2.69Å; V963-I965 PolarHBondContact O-N 2.87Å; V963-F966 WeakPolarHBondContact O-CB 3.45Å; V963-F966 PolarHBondContact O-N 3.28Å; V963-E967 PolarHBondContact O-N 2.99Å; V963-P974 HydrophobicContact CB-CG 4.37Å; V963-P974 HydrophobicContact CG1-CG 3.97Å; V963-P974 HydrophobicContact CG2-CG 4.23Å; V963-F975 HydrophobicContact CG2-CE2 4.33Å; V963-L1010 HydrophobicContact CG2-CD2 3.79Å
964L95.8Very high94.3Very high0 Ų07 Ų70%04%0.041CC..Hα-helixtrans-60.5-45.4179.3-16980.8000112.4V884 L901 L903 L906 F941 G960 L961 F966 E967 M968V884-L964 HydrophobicContact CG1-CD2 4.26Å; V884-L964 HydrophobicContact CG2-CD2 4.16Å; L901-L964 HydrophobicContact CD1-CD2 4.32Å; L901-L964 HydrophobicContact CD2-CD2 4.19Å; L901-L964 HydrophobicContact CG-CD2 4.26Å; L903-L964 HydrophobicContact CD2-CD1 3.75Å; L903-L964 HydrophobicContact CG-CD1 4.03Å; L906-L964 HydrophobicContact CD1-CD1 3.87Å; L906-L964 HydrophobicContact CD1-CD2 3.71Å; L906-L964 HydrophobicContact CD1-CG 4.38Å; F941-L964 HydrophobicContact CE1-CB 4.37Å; F941-L964 HydrophobicContact CE1-CD1 4.39Å; G960-L964 WeakPolarHBondContact O-CB 3.31Å; G960-L964 PolarHBondContact O-N 3.27Å; L961-L964 HydrophobicContact CD1-CD2 4.41Å; L961-L964 PolarHBondContact O-N 3.19Å; L964-F966 VanDerWaalsContact C-N 3.31Å; L964-F966 PolarHBondContact O-N 3.13Å; L964-E967 PolarHBondContact O-N 3.09Å; L964-M968 HydrophobicContact CD2-CE 4.31Å; L964-M968 HydrophobicContact CG-CE 4.24Å; L964-M968 WeakPolarHBondContact O-CB 3.38Å; L964-M968 WeakPolarHBondContact O-CG 3.46Å; L964-M968 PolarHBondContact O-N 2.69Å
965I97Very high94.1Very high0 Ų06.4 Ų6.40%04%0.039CC..Hα-helixtrans-64.1-38.2177.2-69.1168.2000110.7A881 L961 V963 M968 L969 I1005 M1006 L1009 F1033A881-I965 HydrophobicContact CB-CD1 4.07Å; A881-I965 HydrophobicContact CB-CG1 3.91Å; L961-I965 HydrophobicContact CD1-CD1 4.05Å; L961-I965 HydrophobicContact CD1-CG1 4.24Å; L961-I965 HydrophobicContact CG-CD1 3.93Å; L961-I965 HydrophobicContact CG-CG1 4.49Å; L961-I965 WeakPolarHBondContact O-CB 3.39Å; L961-I965 VanDerWaalsContact O-CG1 3.29Å; L961-I965 WeakPolarHBondContact O-CG1 3.2Å; L961-I965 PolarHBondContact O-N 2.75Å; V963-I965 PolarHBondContact O-N 2.87Å; I965-M968 HydrophobicContact CG1-CE 4.08Å; I965-L969 HydrophobicContact CG2-CD1 3.73Å; I965-L969 HydrophobicContact CG2-CG 4.48Å; I965-L969 WeakPolarHBondContact O-CB 3.48Å; I965-L969 VanDerWaalsContact O-CG 3.29Å; I965-L969 WeakPolarHBondContact O-CG 3.1Å; I965-L969 PolarHBondContact O-N 2.76Å; I965-L969 VanDerWaalsContact O-N 3.14Å; I965-I1005 HydrophobicContact CD1-CD1 4.46Å; I965-M1006 HydrophobicContact CB-CG 4.21Å; I965-M1006 HydrophobicContact CG2-CG 3.72Å; I965-M1006 HydrophobicContact CG2-SD 3.97Å; I965-L1009 HydrophobicContact CD1-CD1 4.05Å; I965-F1033 HydrophobicContact CD1-CE1 4.2Å; I965-F1033 HydrophobicContact CG2-CE1 4.31Å; I965-F1033 HydrophobicContact CG2-CZ 3.93Å
966F95.6Very high93.5Very high8 Ų810 Ų104%0.0356%0.062CC..Hα-helixtrans-64.5-47.8174.5-169.5-79.8000111.4G962 V963 L964 M968 L969 V970 E972 P974 V992 Y994 M1006G962-F966 PolarHBondContact O-N 2.95Å; V963-F966 WeakPolarHBondContact O-CB 3.45Å; V963-F966 PolarHBondContact O-N 3.28Å; L964-F966 VanDerWaalsContact C-N 3.31Å; L964-F966 PolarHBondContact O-N 3.13Å; F966-M968 VanDerWaalsContact C-N 3.35Å; F966-M968 PolarHBondContact O-N 3.18Å; F966-L969 PolarHBondContact O-N 3.13Å; F966-V970 HydrophobicContact CD1-CB 3.99Å; F966-V970 HydrophobicContact CD1-CG2 3.97Å; F966-V970 HydrophobicContact CD2-CG2 4.18Å; F966-V970 HydrophobicContact CE1-CB 3.77Å; F966-V970 HydrophobicContact CE1-CG1 3.82Å; F966-V970 HydrophobicContact CE1-CG2 3.81Å; F966-V970 HydrophobicContact CE2-CG2 4.03Å; F966-V970 HydrophobicContact CG-CG2 4.16Å; F966-V970 HydrophobicContact CZ-CB 4.24Å; F966-V970 HydrophobicContact CZ-CG1 4.12Å; F966-V970 HydrophobicContact CZ-CG2 3.85Å; F966-V970 VanDerWaalsContact O-CB 3.29Å; F966-V970 WeakPolarHBondContact O-CB 3.45Å; F966-V970 WeakPolarHBondContact O-CG2 3.42Å; F966-V970 PolarHBondContact O-N 2.78Å; F966-E972 VanDerWaalsContact CD1-O 3.31Å; F966-E972 WeakPolarHBondContact CD1-O 3.31Å; F966-P974 HydrophobicContact CB-CB 4.38Å; F966-P974 HydrophobicContact CB-CG 4.22Å; F966-P974 HydrophobicContact CD1-CB 3.71Å; F966-P974 HydrophobicContact CD1-CG 4.03Å; F966-P974 HydrophobicContact CD2-CB 4.04Å; F966-P974 HydrophobicContact CE1-CB 3.89Å; F966-P974 HydrophobicContact CE2-CB 4.2Å; F966-P974 HydrophobicContact CG-CB 3.79Å; F966-P974 HydrophobicContact CG-CG 4.11Å; F966-P974 HydrophobicContact CZ-CB 4.12Å; F966-V992 HydrophobicContact CD2-CG1 3.89Å; F966-V992 HydrophobicContact CE2-CG1 3.51Å; F966-V992 HydrophobicContact CZ-CG1 4.27Å; F966-Y994 HydrophobicContact CD2-CD1 4.07Å; F966-Y994 AromaticContact CD2-CE1 3.97Å; F966-Y994 HydrophobicContact CD2-CE1 3.97Å; F966-Y994 AromaticContact CE2-CD1 3.92Å; F966-Y994 HydrophobicContact CE2-CD1 3.92Å; F966-Y994 HydrophobicContact CE2-CE1 4.14Å; F966-M1006 WeakPolarHBondContact CA-SD 3.41Å; F966-M1006 HydrophobicContact CB-SD 3.63Å; F966-M1006 HydrophobicContact CD2-SD 3.78Å; F966-M1006 HydrophobicContact CG-SD 4.13Å
967E92.9Very high92.6Very high3 Ų310 Ų101%0.0147%0.065CC..Hα-helixtrans-62.2-40.4179.7-163.1-178.7-161.200111.8L549 R551 L903 F941 V963 L964 G971 E972L549-E967 HydrophobicContact CD2-CG 4.01Å; L549-E967 VanDerWaalsContact CD2-OE1 3.22Å; L549-E967 WeakPolarHBondContact CD2-OE1 3.15Å; R551-E967 WeakPolarHBondContact CD-OE1 3.38Å; R551-E967 IonicContact NE-OE1 3.58Å; L903-E967 HydrophobicContact CD1-CB 4.47Å; L903-E967 HydrophobicContact CD1-CG 3.79Å; L903-E967 WeakPolarHBondContact CD1-OE2 3.35Å; L903-E967 WeakPolarHBondContact CG-OE2 3.34Å; F941-E967 WeakPolarHBondContact CZ-OE2 3.36Å; V963-E967 PolarHBondContact O-N 2.99Å; L964-E967 PolarHBondContact O-N 3.09Å; E967-G971 WeakPolarHBondContact O-CA 3.41Å; E967-G971 PolarHBondContact O-N 3.23Å; E967-E972 WeakPolarHBondContact CA-O 3.47Å
968M94Very high91.6Very high0 Ų016 Ų160%09%0.093CC..Hα-helixtrans-60.9-44.6174.4-74.6-166.6-71.800113.2I867 F872 A877 A881 L903 L964 I965 F966I867-M968 HydrophobicContact CD1-CB 4.43Å; I867-M968 HydrophobicContact CD1-CG 3.92Å; F872-M968 WeakPolarHBondContact CB-O 3.18Å; F872-M968 HydrophobicContact CD2-CB 3.91Å; F872-M968 HydrophobicContact CD2-CG 3.77Å; F872-M968 HydrophobicContact CD2-SD 3.78Å; F872-M968 HydrophobicContact CE2-CG 4.08Å; F872-M968 HydrophobicContact CE2-SD 3.97Å; F872-M968 PolarHBondContact N-O 2.87Å; A877-M968 HydrophobicContact CB-CB 4.01Å; A877-M968 HydrophobicContact CB-CE 4.34Å; A877-M968 HydrophobicContact CB-SD 4.35Å; A881-M968 HydrophobicContact CB-CE 4Å; L903-M968 HydrophobicContact CD2-CG 4.03Å; L964-M968 HydrophobicContact CD2-CE 4.31Å; L964-M968 HydrophobicContact CG-CE 4.24Å; L964-M968 WeakPolarHBondContact O-CB 3.38Å; L964-M968 WeakPolarHBondContact O-CG 3.46Å; L964-M968 PolarHBondContact O-N 2.69Å; I965-M968 HydrophobicContact CG1-CE 4.08Å; F966-M968 VanDerWaalsContact C-N 3.35Å; F966-M968 PolarHBondContact O-N 3.18Å
969L94Very high90.6Very high8 Ų817.9 Ų17.94%0.04211%0.106CC..Hα-helixtrans-86.1-29.2-172.9-68.3172.9000114.2E874 A877 I965 F966 L998 A1002 M1006 F1033E874-L969 HydrophobicContact CB-CD2 4.18Å; E874-L969 HydrophobicContact CG-CD2 4.15Å; A877-L969 HydrophobicContact CB-CD2 3.53Å; A877-L969 HydrophobicContact CB-CG 3.94Å; I965-L969 HydrophobicContact CG2-CD1 3.73Å; I965-L969 HydrophobicContact CG2-CG 4.48Å; I965-L969 WeakPolarHBondContact O-CB 3.48Å; I965-L969 VanDerWaalsContact O-CG 3.29Å; I965-L969 WeakPolarHBondContact O-CG 3.1Å; I965-L969 PolarHBondContact O-N 2.76Å; I965-L969 VanDerWaalsContact O-N 3.14Å; F966-L969 PolarHBondContact O-N 3.13Å; L969-L998 HydrophobicContact CB-CD2 3.69Å; L969-L998 HydrophobicContact CD1-CD2 4.26Å; L969-A1002 HydrophobicContact CD1-CB 3.85Å; L969-M1006 HydrophobicContact CD1-CE 3.79Å; L969-M1006 HydrophobicContact CD1-SD 4.47Å; L969-F1033 HydrophobicContact CD1-CE2 4.25Å; L969-F1033 HydrophobicContact CD1-CZ 4.4Å
970V91Very high89.7Confident7 Ų720.3 Ų20.34%0.04212%0.118CC..Hα-helixtrans-104.8-30.2-175.4-175.60000111.6F966 E972 P995 L998F966-V970 HydrophobicContact CD1-CB 3.99Å; F966-V970 HydrophobicContact CD1-CG2 3.97Å; F966-V970 HydrophobicContact CD2-CG2 4.18Å; F966-V970 HydrophobicContact CE1-CB 3.77Å; F966-V970 HydrophobicContact CE1-CG1 3.82Å; F966-V970 HydrophobicContact CE1-CG2 3.81Å; F966-V970 HydrophobicContact CE2-CG2 4.03Å; F966-V970 HydrophobicContact CG-CG2 4.16Å; F966-V970 HydrophobicContact CZ-CB 4.24Å; F966-V970 HydrophobicContact CZ-CG1 4.12Å; F966-V970 HydrophobicContact CZ-CG2 3.85Å; F966-V970 VanDerWaalsContact O-CB 3.29Å; F966-V970 WeakPolarHBondContact O-CB 3.45Å; F966-V970 WeakPolarHBondContact O-CG2 3.42Å; F966-V970 PolarHBondContact O-N 2.78Å; V970-E972 HydrophobicContact CG1-CB 3.97Å; V970-E972 HydrophobicContact CG1-CG 3.99Å; V970-P995 HydrophobicContact CG1-CG 4.24Å; V970-P995 HydrophobicContact CG2-CG 4.38Å; V970-L998 HydrophobicContact CG2-CD1 4.19Å; V970-L998 HydrophobicContact CG2-CD2 4.2Å
971G86.3Confident88.8Confident9 Ų923.5 Ų23.59%0.09313%0.132CC..SBendtrans76.923.5-173.200000113.8L549 V871 E967L549-G971 VanDerWaalsContact CG-O 3.29Å; L549-G971 WeakPolarHBondContact CG-O 3.35Å; V871-G971 VanDerWaalsContact CG1-CA 3.48Å; E967-G971 WeakPolarHBondContact O-CA 3.41Å; E967-G971 PolarHBondContact O-N 3.23Å
972E85.2Confident88.2Confident36 Ų3627.2 Ų27.217%0.16815%0.149CC..SBendtrans-148.2156.5-171.4-54.8-177.6-16900110R546 C547 F966 E967 V970R546-E972 VanDerWaalsContact CA-OE1 3.24Å; R546-E972 WeakPolarHBondContact CA-OE1 3.41Å; C547-E972 HydrophobicContact CB-CB 4.32Å; C547-E972 HydrophobicContact CB-CG 3.79Å; C547-E972 WeakPolarHBondContact CB-OE2 3.49Å; C547-E972 VanDerWaalsContact N-CD 3.27Å; C547-E972 PolarHBondContact N-OE1 3.47Å; C547-E972 PolarHBondContact SG-OE2 3.43Å; F966-E972 VanDerWaalsContact CD1-O 3.31Å; F966-E972 WeakPolarHBondContact CD1-O 3.31Å; E967-E972 WeakPolarHBondContact CA-O 3.47Å; V970-E972 HydrophobicContact CG1-CB 3.97Å; V970-E972 HydrophobicContact CG1-CG 3.99Å
973C87.2Confident87.6Confident30 Ų3028.3 Ų28.320%0.20316%0.155CC..  trans-76.1135.2170.8175.40000110.3F975C973-F975 PolarHBondContact O-N 3.21Å; C973-F975 PolarHBondContact SG-N 3.28Å
974P90.8Very high87.3Confident11 Ų1130.1 Ų30.17%0.07116%0.162CC..SBendtrans-66.4-17.5176.324.2-31.5000114.1V963 F966 P976 V992 L1010V963-P974 HydrophobicContact CB-CG 4.37Å; V963-P974 HydrophobicContact CG1-CG 3.97Å; V963-P974 HydrophobicContact CG2-CG 4.23Å; F966-P974 HydrophobicContact CB-CB 4.38Å; F966-P974 HydrophobicContact CB-CG 4.22Å; F966-P974 HydrophobicContact CD1-CB 3.71Å; F966-P974 HydrophobicContact CD1-CG 4.03Å; F966-P974 HydrophobicContact CD2-CB 4.04Å; F966-P974 HydrophobicContact CE1-CB 3.89Å; F966-P974 HydrophobicContact CE2-CB 4.2Å; F966-P974 HydrophobicContact CG-CB 3.79Å; F966-P974 HydrophobicContact CG-CG 4.11Å; F966-P974 HydrophobicContact CZ-CB 4.12Å; P974-P976 WeakPolarHBondContact O-CD 3.48Å; P974-V992 HydrophobicContact CB-CG1 3.9Å; P974-V992 HydrophobicContact CB-CG2 4.33Å; P974-L1010 HydrophobicContact CB-CD1 4.45Å; P974-L1010 HydrophobicContact CG-CD1 4.48Å
975F92.2Very high86.9Confident1 Ų133.3 Ų33.30%0.00418%0.179CC..SBendtrans-126.368.2-176.5-55.6-68.4000111.8W959 V963 C973 S986 I987 V992 L1010W959-F975 HydrophobicContact CH2-CE1 4.39Å; W959-F975 AromaticContact CH2-CE2 3.73Å; W959-F975 HydrophobicContact CH2-CE2 3.73Å; W959-F975 AromaticContact CH2-CZ 3.47Å; W959-F975 HydrophobicContact CH2-CZ 3.47Å; W959-F975 VanDerWaalsContact CH2-CZ 3.47Å; W959-F975 HydrophobicContact CZ2-CD2 4.06Å; W959-F975 AromaticContact CZ2-CE2 3.23Å; W959-F975 HydrophobicContact CZ2-CE2 3.23Å; W959-F975 AromaticContact CZ2-CZ 3.52Å; W959-F975 HydrophobicContact CZ2-CZ 3.52Å; V963-F975 HydrophobicContact CG2-CE2 4.33Å; C973-F975 PolarHBondContact O-N 3.21Å; C973-F975 PolarHBondContact SG-N 3.28Å; F975-S986 VanDerWaalsContact C-OG 3.32Å; F975-S986 WeakPolarHBondContact CA-OG 3.35Å; F975-S986 WeakPolarHBondContact CD1-O 3.48Å; F975-I987 HydrophobicContact CB-CG1 3.69Å; F975-I987 HydrophobicContact CD1-CG1 4.46Å; F975-I987 HydrophobicContact CD2-CG1 3.84Å; F975-I987 HydrophobicContact CG-CB 4.45Å; F975-I987 HydrophobicContact CG-CG1 3.74Å; F975-V992 HydrophobicContact CE1-CG2 3.54Å; F975-V992 HydrophobicContact CE2-CG2 4.38Å; F975-V992 HydrophobicContact CZ-CG2 3.43Å; F975-V992 VanDerWaalsContact CZ-CG2 3.43Å; F975-L1010 HydrophobicContact CE2-CD2 4.26Å
976P83Confident86.5Confident75 Ų7533.4 Ų33.449%0.48718%0.18SC..  trans-69.7154.4-177.230-36.1000113.2P974 S986P974-P976 WeakPolarHBondContact O-CD 3.48Å; P976-S986 WeakPolarHBondContact O-CB 3.3Å; P976-S986 PolarHBondContact O-OG 3.3Å
977G77.3Confident86.2Confident15 Ų1533 Ų3316%0.15518%0.179CC..  trans-173.2157.1172.400000110.8
978E75.5Confident86.1Confident128 Ų12834.8 Ų34.860%0.59819%0.19SC*.SBendtrans-88.4-3.1178.6-61.4-160.2177.600113.6L555 E982L555-E978 WeakPolarHBondContact CD1-O 3.48Å; L555-E978 WeakPolarHBondContact CD2-O 3.4Å; E978-E982 PolarHBondContact N-OE2 2.79Å
979S77.4Confident85.7Confident39 Ų3939.7 Ų39.727%0.27322%0.216SC..SBendtrans-143.6160.5179.762.50000112.2E981 E982 I983S979-E981 PolarHBondContact O-N 2.83Å; S979-E982 WeakPolarHBondContact CB-OE1 3.25Å; S979-E982 PolarHBondContact N-OE1 3.36Å; S979-E982 PolarHBondContact O-N 3.35Å; S979-E982 WeakPolarHBondContact OG-CG 3.35Å; S979-E982 PolarHBondContact OG-N 3.05Å; S979-E982 PolarHBondContact OG-OE1 2.75Å; S979-I983 WeakPolarHBondContact O-CG1 3.46Å; S979-I983 PolarHBondContact O-N 2.67Å
980E78.6Confident85.4Confident52 Ų5243.5 Ų43.524%0.24323%0.232CC..Hα-helixtrans-54.1-38.7173.2-73.2-175.3169.800110.4R566 I983 F984R566-E980 IonicContact CZ-OE1 3.64Å; R566-E980 IonicContact CZ-OE2 3.17Å; R566-E980 IonicContact NH1-OE1 3.44Å; R566-E980 PolarHBondContact NH1-OE1 3.18Å; R566-E980 VanDerWaalsContact NH1-OE1 3.1Å; R566-E980 IonicContact NH1-OE2 2.71Å; R566-E980 PolarHBondContact NH1-OE2 2.75Å; R566-E980 IonicContact NH2-OE1 2.84Å; R566-E980 PolarHBondContact NH2-OE1 2.99Å; E980-I983 PolarHBondContact O-N 3.36Å; E980-F984 HydrophobicContact CB-CE2 4.11Å; E980-F984 HydrophobicContact CB-CZ 4.21Å; E980-F984 WeakPolarHBondContact O-CD1 3.46Å; E980-F984 WeakPolarHBondContact O-CD2 3.3Å; E980-F984 WeakPolarHBondContact O-CG 3.23Å; E980-F984 PolarHBondContact O-N 3.12Å
981E79.1Confident85Confident69 Ų6947.7 Ų47.732%0.32226%0.261SS..Hα-helixtrans-66.4-42.2177.4-67.2-158.3174.300113.9K582 S979 F984 D985K582-E981 WeakPolarHBondContact CE-OE1 3.5Å; K582-E981 VanDerWaalsContact CE-OE2 3.28Å; K582-E981 WeakPolarHBondContact CE-OE2 3.28Å; K582-E981 IonicContact NZ-OE1 3.58Å; K582-E981 IonicContact NZ-OE2 2.78Å; K582-E981 PolarHBondContact NZ-OE2 3.24Å; S979-E981 PolarHBondContact O-N 2.83Å; E981-F984 PolarHBondContact O-N 2.72Å; E981-D985 PolarHBondContact O-N 3.28Å
982E84.4Confident85.1Confident79 Ų7948.2 Ų48.237%0.36926%0.263SS..Hα-helixtrans-67.6-36.4177.6-76.2160.6-10700112.5E978 S979 D985 S986E978-E982 PolarHBondContact N-OE2 2.79Å; S979-E982 WeakPolarHBondContact CB-OE1 3.25Å; S979-E982 PolarHBondContact N-OE1 3.36Å; S979-E982 PolarHBondContact O-N 3.35Å; S979-E982 WeakPolarHBondContact OG-CG 3.35Å; S979-E982 PolarHBondContact OG-N 3.05Å; S979-E982 PolarHBondContact OG-OE1 2.75Å; E982-D985 PolarHBondContact O-N 3.06Å; E982-S986 WeakPolarHBondContact O-CB 3.4Å; E982-S986 PolarHBondContact O-N 3.27Å
983I86.5Confident85.2Confident23 Ų2350.1 Ų50.112%0.11828%0.28CS..Hα-helixtrans-63.7-45.4174.9-67.6166.8000109.4E940 S979 E980 S986 I987E940-I983 HydrophobicContact CB-CG2 4.43Å; S979-I983 WeakPolarHBondContact O-CG1 3.46Å; S979-I983 PolarHBondContact O-N 2.67Å; E980-I983 PolarHBondContact O-N 3.36Å; I983-S986 WeakPolarHBondContact O-CB 3.36Å; I983-S986 PolarHBondContact O-N 3.24Å; I983-S986 VanDerWaalsContact O-N 3.17Å; I983-I987 HydrophobicContact CG2-CD1 3.87Å; I983-I987 WeakPolarHBondContact O-CG1 3.44Å; I983-I987 PolarHBondContact O-N 3.01Å
984F88.9Confident85.3Confident39 Ų3951.4 Ų51.417%0.17128%0.281CS..Hα-helixtrans-63.5-41.7176.2-59.1-24.9000112.7F935 P939 L942 L947 E980 E981 S986 I987 V988F935-F984 HydrophobicContact CZ-CZ 4.32Å; P939-F984 HydrophobicContact CB-CE1 3.84Å; P939-F984 HydrophobicContact CB-CZ 4.31Å; L942-F984 HydrophobicContact CD1-CE1 3.89Å; L942-F984 HydrophobicContact CD1-CZ 4.46Å; L947-F984 HydrophobicContact CD1-CB 4.03Å; L947-F984 HydrophobicContact CD1-CD1 3.99Å; L947-F984 HydrophobicContact CD1-CG 4.28Å; L947-F984 HydrophobicContact CD2-CB 4.19Å; L947-F984 HydrophobicContact CD2-CD1 3.47Å; L947-F984 VanDerWaalsContact CD2-CD1 3.47Å; L947-F984 HydrophobicContact CD2-CD2 4.24Å; L947-F984 HydrophobicContact CD2-CE1 3.84Å; L947-F984 HydrophobicContact CD2-CG 3.71Å; L947-F984 HydrophobicContact CD2-CZ 4.38Å; L947-F984 HydrophobicContact CG-CD1 4.41Å; E980-F984 HydrophobicContact CB-CE2 4.11Å; E980-F984 HydrophobicContact CB-CZ 4.21Å; E980-F984 WeakPolarHBondContact O-CD1 3.46Å; E980-F984 WeakPolarHBondContact O-CD2 3.3Å; E980-F984 WeakPolarHBondContact O-CG 3.23Å; E980-F984 PolarHBondContact O-N 3.12Å; E981-F984 PolarHBondContact O-N 2.72Å; F984-S986 VanDerWaalsContact C-N 3.33Å; F984-I987 PolarHBondContact O-N 3.4Å; F984-V988 WeakPolarHBondContact O-CG2 3.5Å; F984-V988 PolarHBondContact O-N 2.83Å
985D87.1Confident85Confident67 Ų6752.5 Ų52.536%0.35829%0.287SS..Hα-helixtrans-62.4-39.8171.4172.971.6000112.1E981 E982 V988 N989 K990E981-D985 PolarHBondContact O-N 3.28Å; E982-D985 PolarHBondContact O-N 3.06Å; D985-V988 PolarHBondContact O-N 3.21Å; D985-N989 WeakPolarHBondContact O-CB 3.01Å; D985-N989 PolarHBondContact O-N 3.06Å; D985-N989 PolarHBondContact OD1-ND2 2.87Å; D985-K990 WeakPolarHBondContact OD2-CE 3.37Å; D985-K990 IonicContact OD2-NZ 3.23Å; D985-K990 PolarHBondContact OD2-NZ 2.88Å
986S89.5Confident84.6Confident3 Ų360 Ų602%0.02133%0.328CS..Hα-helixtrans-60.8-49.9177-153.90000111.2F975 P976 E982 I983 F984 K990F975-S986 VanDerWaalsContact C-OG 3.32Å; F975-S986 WeakPolarHBondContact CA-OG 3.35Å; F975-S986 WeakPolarHBondContact CD1-O 3.48Å; P976-S986 WeakPolarHBondContact O-CB 3.3Å; P976-S986 PolarHBondContact O-OG 3.3Å; E982-S986 WeakPolarHBondContact O-CB 3.4Å; E982-S986 PolarHBondContact O-N 3.27Å; I983-S986 WeakPolarHBondContact O-CB 3.36Å; I983-S986 PolarHBondContact O-N 3.24Å; I983-S986 VanDerWaalsContact O-N 3.17Å; F984-S986 VanDerWaalsContact C-N 3.33Å; S986-K990 WeakPolarHBondContact O-CB 3.34Å; S986-K990 PolarHBondContact O-N 2.83Å
987I90.2Very high84.9Confident0 Ų062.8 Ų62.80%033%0.329CS..Hα-helixtrans-58.2-49.4175.2-70.3163.3000111.3P939 P944 L947 W959 F975 I983 F984 R1012P939-I987 VanDerWaalsContact O-CD1 3.31Å; P939-I987 WeakPolarHBondContact O-CD1 3.45Å; P944-I987 HydrophobicContact CB-CG2 4.11Å; L947-I987 HydrophobicContact CD1-CB 3.92Å; L947-I987 HydrophobicContact CD1-CD1 4.17Å; L947-I987 HydrophobicContact CD1-CG2 3.6Å; W959-I987 HydrophobicContact CH2-CG2 4.46Å; W959-I987 HydrophobicContact CZ2-CG2 3.87Å; F975-I987 HydrophobicContact CB-CG1 3.69Å; F975-I987 HydrophobicContact CD1-CG1 4.46Å; F975-I987 HydrophobicContact CD2-CG1 3.84Å; F975-I987 HydrophobicContact CG-CB 4.45Å; F975-I987 HydrophobicContact CG-CG1 3.74Å; I983-I987 HydrophobicContact CG2-CD1 3.87Å; I983-I987 WeakPolarHBondContact O-CG1 3.44Å; I983-I987 PolarHBondContact O-N 3.01Å; F984-I987 PolarHBondContact O-N 3.4Å; I987-R1012 PolarHBondContact O-NH2 3.49Å
988V90.2Very high85.5Confident40 Ų4062.7 Ų62.724%0.24233%0.325CS..Hα-helixtrans-74.5-39.6-174.7177.40000112.2L947 T948 F984 D985 R1012L947-V988 HydrophobicContact CB-CG2 4.02Å; L947-V988 HydrophobicContact CD1-CG2 3.89Å; T948-V988 HydrophobicContact CG2-CG1 3.96Å; T948-V988 HydrophobicContact CG2-CG2 3.89Å; F984-V988 WeakPolarHBondContact O-CG2 3.5Å; F984-V988 PolarHBondContact O-N 2.83Å; D985-V988 PolarHBondContact O-N 3.21Å; V988-R1012 PolarHBondContact O-NE 3.36Å
989N86.1Confident86.2Confident103 Ų10358.2 Ų58.255%0.55131%0.308SS*.Hα-helixtrans-114.8-24.1-165.9-62.6-50.4000116.4D985D985-N989 WeakPolarHBondContact O-CB 3.01Å; D985-N989 PolarHBondContact O-N 3.06Å; D985-N989 PolarHBondContact OD1-ND2 2.87Å
990K86.1Confident86.8Confident87 Ų8759.6 Ų59.638%0.37831%0.311SS..PPolyproline II helixtrans-98.3131.5-169.7-59.4178.5-165.1134.80112.8D985 S986 R1012D985-K990 WeakPolarHBondContact OD2-CE 3.37Å; D985-K990 IonicContact OD2-NZ 3.23Å; D985-K990 PolarHBondContact OD2-NZ 2.88Å; S986-K990 WeakPolarHBondContact O-CB 3.34Å; S986-K990 PolarHBondContact O-N 2.83Å; K990-R1012 PolarHBondContact O-NH2 3.41Å
991S84Confident87.4Confident95 Ų9559.7 Ų59.766%0.66431%0.311SS*.PPolyproline II helixtrans-69.7135.9175.852.90000111.7C993S991-C993 PolarHBondContact O-N 2.94Å
992V88.6Confident88.2Confident21 Ų2156.4 Ų56.413%0.12730%0.296CS..PPolyproline II helixtrans-63.2132.1176.7-176.10000110.4F966 P974 F975 Y994 L1010F966-V992 HydrophobicContact CD2-CG1 3.89Å; F966-V992 HydrophobicContact CE2-CG1 3.51Å; F966-V992 HydrophobicContact CZ-CG1 4.27Å; P974-V992 HydrophobicContact CB-CG1 3.9Å; P974-V992 HydrophobicContact CB-CG2 4.33Å; F975-V992 HydrophobicContact CE1-CG2 3.54Å; F975-V992 HydrophobicContact CE2-CG2 4.38Å; F975-V992 HydrophobicContact CZ-CG2 3.43Å; F975-V992 VanDerWaalsContact CZ-CG2 3.43Å; V992-Y994 HydrophobicContact CB-CE1 4.3Å; V992-Y994 HydrophobicContact CB-CE2 3.98Å; V992-Y994 HydrophobicContact CG1-CD1 4.05Å; V992-Y994 HydrophobicContact CG1-CD2 4.48Å; V992-Y994 HydrophobicContact CG1-CE1 3.52Å; V992-Y994 HydrophobicContact CG1-CE2 4.02Å; V992-Y994 HydrophobicContact CG1-CG 4.5Å; V992-L1010 HydrophobicContact CG1-CD1 4.43Å; V992-L1010 HydrophobicContact CG2-CB 4.41Å; V992-L1010 HydrophobicContact CG2-CD1 3.94Å
993C87.3Confident88.6Confident76 Ų7654.9 Ų54.951%0.51429%0.288SS..  trans-98.2105.9179.1177.90000110.2S991 P995S991-C993 PolarHBondContact O-N 2.94Å; C993-P995 WeakPolarHBondContact O-CD 3.42Å
994Y88.4Confident88.9Confident57 Ų5754.8 Ų54.822%0.22429%0.288CS..  trans-92.3112.5-177.5-60.8-72.8000113F966 V992 L998 K1003 M1006 G1007F966-Y994 HydrophobicContact CD2-CD1 4.07Å; F966-Y994 AromaticContact CD2-CE1 3.97Å; F966-Y994 HydrophobicContact CD2-CE1 3.97Å; F966-Y994 AromaticContact CE2-CD1 3.92Å; F966-Y994 HydrophobicContact CE2-CD1 3.92Å; F966-Y994 HydrophobicContact CE2-CE1 4.14Å; V992-Y994 HydrophobicContact CB-CE1 4.3Å; V992-Y994 HydrophobicContact CB-CE2 3.98Å; V992-Y994 HydrophobicContact CG1-CD1 4.05Å; V992-Y994 HydrophobicContact CG1-CD2 4.48Å; V992-Y994 HydrophobicContact CG1-CE1 3.52Å; V992-Y994 HydrophobicContact CG1-CE2 4.02Å; V992-Y994 HydrophobicContact CG1-CG 4.5Å; Y994-L998 HydrophobicContact CD1-CD1 4.29Å; Y994-K1003 HydrophobicContact CG-CG 4.4Å; Y994-K1003 PolarHBondContact O-NZ 3.18Å; Y994-M1006 HydrophobicContact CD1-CE 4.31Å; Y994-M1006 HydrophobicContact CE1-CB 3.63Å; Y994-M1006 HydrophobicContact CE1-CE 4.43Å; Y994-M1006 HydrophobicContact CE1-SD 4.21Å; Y994-M1006 PolarHBondContact OH-O 2.92Å; Y994-G1007 WeakPolarHBondContact OH-CA 3.5Å; Y994-G1007 PolarHBondContact OH-N 2.98Å
995P85.6Confident89.2Confident33 Ų3353 Ų5321%0.21428%0.28CS..  trans-56.2151.4-179.9-28.436.5000115.1V970 C993 Y997 L998 K1003V970-P995 HydrophobicContact CG1-CG 4.24Å; V970-P995 HydrophobicContact CG2-CG 4.38Å; C993-P995 WeakPolarHBondContact O-CD 3.42Å; P995-Y997 HydrophobicContact CB-CD1 3.59Å; P995-Y997 HydrophobicContact CB-CE1 3.24Å; P995-Y997 HydrophobicContact CB-CE2 4.38Å; P995-Y997 HydrophobicContact CB-CG 4.31Å; P995-Y997 HydrophobicContact CG-CE1 3.87Å; P995-Y997 PolarHBondContact O-N 3.43Å; P995-Y997 VanDerWaalsContact O-N 3.17Å; P995-L998 PolarHBondContact O-N 2.94Å; P995-K1003 WeakPolarHBondContact O-CE 3.15Å; P995-K1003 PolarHBondContact O-NZ 2.71Å
996N82.8Confident89.7Confident159 Ų15949.8 Ų49.885%0.8526%0.263SS*.THydrogen-bonded Turntrans-69.9-8.6-177.5-73.7-10.2000115.2
997Y88.8Confident89.9Confident134 Ų13450.5 Ų50.553%0.52527%0.271SS..THydrogen-bonded Turntrans-90.1-12.6177.363.1-104.1000114.3P995P995-Y997 HydrophobicContact CB-CD1 3.59Å; P995-Y997 HydrophobicContact CB-CE1 3.24Å; P995-Y997 HydrophobicContact CB-CE2 4.38Å; P995-Y997 HydrophobicContact CB-CG 4.31Å; P995-Y997 HydrophobicContact CG-CE1 3.87Å; P995-Y997 PolarHBondContact O-N 3.43Å; P995-Y997 VanDerWaalsContact O-N 3.17Å
998L89.5Confident90.1Very high13 Ų1353 Ų537%0.06828%0.28CS..SBendtrans-71.5142.4175.1-61.6172.7000110.1L969 V970 Y994 P995 K1003 M1006L969-L998 HydrophobicContact CB-CD2 3.69Å; L969-L998 HydrophobicContact CD1-CD2 4.26Å; V970-L998 HydrophobicContact CG2-CD1 4.19Å; V970-L998 HydrophobicContact CG2-CD2 4.2Å; Y994-L998 HydrophobicContact CD1-CD1 4.29Å; P995-L998 PolarHBondContact O-N 2.94Å; L998-K1003 HydrophobicContact CB-CG 4.09Å; L998-K1003 HydrophobicContact CD1-CG 4.44Å; L998-M1006 HydrophobicContact CD1-CE 3.84Å
999S91.9Very high90.5Very high33 Ų3351 Ų5123%0.23127%0.268CS..  trans-64162173.685.80000112E874 E1001 A1002 K1003E874-S999 WeakPolarHBondContact OE1-CB 3.49Å; E874-S999 PolarHBondContact OE1-OG 2.9Å; E874-S999 WeakPolarHBondContact OE2-CB 3.44Å; E874-S999 PolarHBondContact OE2-N 2.95Å; E874-S999 PolarHBondContact OE2-OG 2.87Å; E874-S999 VanDerWaalsContact OE2-OG 3.09Å; S999-E1001 VanDerWaalsContact C-N 3.26Å; S999-E1001 PolarHBondContact O-N 2.99Å; S999-E1001 PolarHBondContact OG-N 3.24Å; S999-A1002 PolarHBondContact O-N 3.37Å; S999-A1002 PolarHBondContact OG-N 3.33Å; S999-K1003 WeakPolarHBondContact O-CG 3.24Å; S999-K1003 PolarHBondContact O-N 2.8Å; S999-K1003 VanDerWaalsContact O-N 3.08Å
1000M88.2Confident91Very high68 Ų6846.4 Ų46.434%0.33524%0.244SC..Hα-helixtrans-65.6-33.4175-15864.8168.800111.8T118 L122 K1003 L1004T118-M1000 HydrophobicContact CG2-CE 3.45Å; T118-M1000 VanDerWaalsContact CG2-CE 3.45Å; L122-M1000 HydrophobicContact CD1-CE 3.78Å; L122-M1000 HydrophobicContact CD1-CG 3.79Å; L122-M1000 HydrophobicContact CD2-CB 4.47Å; L122-M1000 HydrophobicContact CD2-CG 3.8Å; L122-M1000 HydrophobicContact CG-CE 3.9Å; L122-M1000 HydrophobicContact CG-CG 3.83Å; M1000-K1003 PolarHBondContact O-N 2.89Å; M1000-L1004 WeakPolarHBondContact O-CB 3.18Å; M1000-L1004 VanDerWaalsContact O-CG 3.26Å; M1000-L1004 WeakPolarHBondContact O-CG 3.45Å; M1000-L1004 PolarHBondContact O-N 3.05Å
1001E92.4Very high91.4Very high54 Ų5443.4 Ų43.425%0.25223%0.23SC..Hα-helixtrans-66.3-43178.3-57.1-177.3142.700110.7S999 L1004 I1005 P1032 F1033S999-E1001 VanDerWaalsContact C-N 3.26Å; S999-E1001 PolarHBondContact O-N 2.99Å; S999-E1001 PolarHBondContact OG-N 3.24Å; E1001-L1004 PolarHBondContact O-N 3.12Å; E1001-I1005 PolarHBondContact O-N 2.85Å; E1001-I1005 VanDerWaalsContact O-N 3.13Å; E1001-P1032 HydrophobicContact CB-CB 4.36Å; E1001-P1032 HydrophobicContact CG-CB 4Å; E1001-F1033 HydrophobicContact CB-CB 4.41Å
1002A94.8Very high91.8Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-62.4-43.9173.800000112.4L969 S999 I1005 M1006 F1033L969-A1002 HydrophobicContact CD1-CB 3.85Å; S999-A1002 PolarHBondContact O-N 3.37Å; S999-A1002 PolarHBondContact OG-N 3.33Å; A1002-I1005 WeakPolarHBondContact O-CG2 3.46Å; A1002-M1006 HydrophobicContact CB-CE 4Å; A1002-M1006 WeakPolarHBondContact O-CE 3.38Å; A1002-M1006 WeakPolarHBondContact O-CG 3.28Å; A1002-M1006 PolarHBondContact O-N 3.5Å; A1002-M1006 VanDerWaalsContact O-N 3.13Å; A1002-F1033 HydrophobicContact CB-CD2 4.03Å; A1002-F1033 HydrophobicContact CB-CE2 3.88Å
1003K93Very high91.9Very high47 Ų4742.7 Ų42.720%0.20422%0.215CC..Hα-helixtrans-64.3-42176.6-68.3-175.7-172.1-162.20112.3Y994 P995 L998 S999 M1000 G1007Y994-K1003 HydrophobicContact CG-CG 4.4Å; Y994-K1003 PolarHBondContact O-NZ 3.18Å; P995-K1003 WeakPolarHBondContact O-CE 3.15Å; P995-K1003 PolarHBondContact O-NZ 2.71Å; L998-K1003 HydrophobicContact CB-CG 4.09Å; L998-K1003 HydrophobicContact CD1-CG 4.44Å; S999-K1003 WeakPolarHBondContact O-CG 3.24Å; S999-K1003 PolarHBondContact O-N 2.8Å; S999-K1003 VanDerWaalsContact O-N 3.08Å; M1000-K1003 PolarHBondContact O-N 2.89Å; K1003-G1007 PolarHBondContact O-N 2.78Å
1004L92.8Very high92.1Very high21 Ų2140.2 Ų40.211%0.1120%0.2CC..Hα-helixtrans-61.1-48.1178.2-76.7172000112.3T118 L122 M1000 E1001 R1008T118-L1004 HydrophobicContact CG2-CD2 4.29Å; L122-L1004 HydrophobicContact CD1-CD1 3.59Å; L122-L1004 HydrophobicContact CD1-CD2 4.07Å; L122-L1004 HydrophobicContact CD1-CG 4.16Å; M1000-L1004 WeakPolarHBondContact O-CB 3.18Å; M1000-L1004 VanDerWaalsContact O-CG 3.26Å; M1000-L1004 WeakPolarHBondContact O-CG 3.45Å; M1000-L1004 PolarHBondContact O-N 3.05Å; E1001-L1004 PolarHBondContact O-N 3.12Å; L1004-R1008 WeakPolarHBondContact O-CB 3.36Å; L1004-R1008 WeakPolarHBondContact O-CG 3.42Å; L1004-R1008 PolarHBondContact O-N 2.84Å; L1004-R1008 VanDerWaalsContact O-N 3.1Å
1005I96.4Very high92.2Very high1 Ų141.3 Ų41.31%0.00522%0.221CC..Hα-helixtrans-68.6-43.8-178.5-168.4170.5000111.7I965 E1001 A1002 G1007 R1008 L1009 L1018 I1028 Q1031 F1033 F1034I965-I1005 HydrophobicContact CD1-CD1 4.46Å; E1001-I1005 PolarHBondContact O-N 2.85Å; E1001-I1005 VanDerWaalsContact O-N 3.13Å; A1002-I1005 WeakPolarHBondContact O-CG2 3.46Å; I1005-G1007 PolarHBondContact O-N 3.11Å; I1005-R1008 PolarHBondContact O-N 2.93Å; I1005-L1009 HydrophobicContact CD1-CD1 4.33Å; I1005-L1009 HydrophobicContact CG1-CD1 3.81Å; I1005-L1009 HydrophobicContact CG1-CG 4.24Å; I1005-L1009 WeakPolarHBondContact O-CB 3.44Å; I1005-L1009 WeakPolarHBondContact O-CG 3.46Å; I1005-L1009 PolarHBondContact O-N 3.18Å; I1005-L1018 HydrophobicContact CG1-CD2 4.26Å; I1005-I1028 HydrophobicContact CD1-CG2 4.46Å; I1005-Q1031 HydrophobicContact CD1-CB 4.02Å; I1005-Q1031 HydrophobicContact CD1-CG 4.14Å; I1005-Q1031 HydrophobicContact CG1-CB 4.37Å; I1005-Q1031 HydrophobicContact CG1-CG 4.2Å; I1005-F1033 HydrophobicContact CB-CB 4.16Å; I1005-F1033 HydrophobicContact CD1-CB 4.17Å; I1005-F1033 HydrophobicContact CD1-CD1 3.93Å; I1005-F1033 HydrophobicContact CD1-CG 4.38Å; I1005-F1033 HydrophobicContact CG2-CB 3.79Å; I1005-F1033 HydrophobicContact CG2-CD1 3.94Å; I1005-F1033 HydrophobicContact CG2-CD2 4.04Å; I1005-F1033 HydrophobicContact CG2-CE1 4.49Å; I1005-F1033 HydrophobicContact CG2-CG 3.68Å; I1005-F1034 HydrophobicContact CD1-CD2 3.92Å; I1005-F1034 HydrophobicContact CD1-CE2 3.43Å; I1005-F1034 VanDerWaalsContact CD1-CE2 3.43Å; I1005-F1034 HydrophobicContact CD1-CZ 4.32Å
1006M96.7Very high92.5Very high0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-64.3-39.8177.1-72.6-176.3-82.500112.1I965 F966 L969 Y994 L998 A1002 R1008 L1009 L1010I965-M1006 HydrophobicContact CB-CG 4.21Å; I965-M1006 HydrophobicContact CG2-CG 3.72Å; I965-M1006 HydrophobicContact CG2-SD 3.97Å; F966-M1006 WeakPolarHBondContact CA-SD 3.41Å; F966-M1006 HydrophobicContact CB-SD 3.63Å; F966-M1006 HydrophobicContact CD2-SD 3.78Å; F966-M1006 HydrophobicContact CG-SD 4.13Å; L969-M1006 HydrophobicContact CD1-CE 3.79Å; L969-M1006 HydrophobicContact CD1-SD 4.47Å; Y994-M1006 HydrophobicContact CD1-CE 4.31Å; Y994-M1006 HydrophobicContact CE1-CB 3.63Å; Y994-M1006 HydrophobicContact CE1-CE 4.43Å; Y994-M1006 HydrophobicContact CE1-SD 4.21Å; Y994-M1006 PolarHBondContact OH-O 2.92Å; L998-M1006 HydrophobicContact CD1-CE 3.84Å; A1002-M1006 HydrophobicContact CB-CE 4Å; A1002-M1006 WeakPolarHBondContact O-CE 3.38Å; A1002-M1006 WeakPolarHBondContact O-CG 3.28Å; A1002-M1006 PolarHBondContact O-N 3.5Å; A1002-M1006 VanDerWaalsContact O-N 3.13Å; M1006-R1008 VanDerWaalsContact C-N 3.33Å; M1006-R1008 PolarHBondContact O-N 2.89Å; M1006-L1009 PolarHBondContact O-N 3.18Å; M1006-L1010 VanDerWaalsContact O-CB 3.25Å; M1006-L1010 WeakPolarHBondContact O-CB 3.41Å; M1006-L1010 WeakPolarHBondContact O-CG 3.36Å; M1006-L1010 PolarHBondContact O-N 3.27Å
1007G93.8Very high93.2Very high18 Ų1837.2 Ų37.219%0.18619%0.194CC..Hα-helixtrans-59.3-44174.800000112.1Y994 K1003 I1005 R1011Y994-G1007 WeakPolarHBondContact OH-CA 3.5Å; Y994-G1007 PolarHBondContact OH-N 2.98Å; K1003-G1007 PolarHBondContact O-N 2.78Å; I1005-G1007 PolarHBondContact O-N 3.11Å; G1007-R1011 PolarHBondContact O-N 3.5Å
1008R95.6Very high93.5Very high52 Ų5231.7 Ų31.720%0.19617%0.173CC..Hα-helixtrans-72.3-30.3179.6-72177168.3-171.3-7.6114.4L1004 I1005 M1006 L1018L1004-R1008 WeakPolarHBondContact O-CB 3.36Å; L1004-R1008 WeakPolarHBondContact O-CG 3.42Å; L1004-R1008 PolarHBondContact O-N 2.84Å; L1004-R1008 VanDerWaalsContact O-N 3.1Å; I1005-R1008 PolarHBondContact O-N 2.93Å; M1006-R1008 VanDerWaalsContact C-N 3.33Å; M1006-R1008 PolarHBondContact O-N 2.89Å; R1008-L1018 HydrophobicContact CB-CB 3.97Å; R1008-L1018 HydrophobicContact CB-CD2 4.25Å; R1008-L1018 PolarHBondContact O-N 3.27Å
1009L97.5Very high93.8Very high0 Ų031 Ų310%017%0.17CC..Hα-helixtrans-81.8-31.4175-69.1172.2000112.9W958 L961 I965 I1005 M1006 R1011 R1017 L1018 I1028W958-L1009 HydrophobicContact CB-CD2 4.15Å; W958-L1009 WeakPolarHBondContact O-CD2 3.5Å; L961-L1009 HydrophobicContact CB-CD1 4.46Å; L961-L1009 HydrophobicContact CD2-CD1 4.13Å; L961-L1009 HydrophobicContact CG-CD1 4.07Å; I965-L1009 HydrophobicContact CD1-CD1 4.05Å; I1005-L1009 HydrophobicContact CD1-CD1 4.33Å; I1005-L1009 HydrophobicContact CG1-CD1 3.81Å; I1005-L1009 HydrophobicContact CG1-CG 4.24Å; I1005-L1009 WeakPolarHBondContact O-CB 3.44Å; I1005-L1009 WeakPolarHBondContact O-CG 3.46Å; I1005-L1009 PolarHBondContact O-N 3.18Å; M1006-L1009 PolarHBondContact O-N 3.18Å; L1009-R1011 VanDerWaalsContact C-N 3.32Å; L1009-R1017 WeakPolarHBondContact O-CD 3.35Å; L1009-R1017 VanDerWaalsContact O-CG 3.23Å; L1009-R1017 WeakPolarHBondContact O-CG 3.32Å; L1009-L1018 HydrophobicContact CD2-CB 4.1Å; L1009-L1018 HydrophobicContact CD2-CD2 4.02Å; L1009-L1018 HydrophobicContact CD2-CG 4.32Å; L1009-L1018 HydrophobicContact CG-CD2 4.23Å; L1009-I1028 HydrophobicContact CD2-CD1 4.04Å; L1009-I1028 HydrophobicContact CD2-CG1 4.3Å
1010L96.4Very high93.8Very high6 Ų631 Ų313%0.03117%0.17CC..SBendtrans-94.519.9178.9-60.9178000113.3W959 V963 P974 F975 V992 M1006 R1012W959-L1010 HydrophobicContact CD2-CD2 3.91Å; W959-L1010 HydrophobicContact CE3-CD2 3.99Å; W959-L1010 HydrophobicContact CG-CD2 4.46Å; W959-L1010 HydrophobicContact CH2-CD2 4.37Å; W959-L1010 HydrophobicContact CZ2-CD2 4.28Å; W959-L1010 HydrophobicContact CZ3-CB 4.27Å; W959-L1010 HydrophobicContact CZ3-CD2 4.23Å; W959-L1010 VanDerWaalsContact CZ3-O 3.3Å; W959-L1010 WeakPolarHBondContact CZ3-O 3.34Å; V963-L1010 HydrophobicContact CG2-CD2 3.79Å; P974-L1010 HydrophobicContact CB-CD1 4.45Å; P974-L1010 HydrophobicContact CG-CD1 4.48Å; F975-L1010 HydrophobicContact CE2-CD2 4.26Å; V992-L1010 HydrophobicContact CG1-CD1 4.43Å; V992-L1010 HydrophobicContact CG2-CB 4.41Å; V992-L1010 HydrophobicContact CG2-CD1 3.94Å; M1006-L1010 VanDerWaalsContact O-CB 3.25Å; M1006-L1010 WeakPolarHBondContact O-CB 3.41Å; M1006-L1010 WeakPolarHBondContact O-CG 3.36Å; M1006-L1010 PolarHBondContact O-N 3.27Å; L1010-R1012 PolarHBondContact O-N 3.15Å
1011R93.9Very high94Very high24 Ų2429.9 Ų29.99%0.09117%0.168CC..  trans-63.4129.5165.6-82.8178.5168.8-156.9-9.9109.9D115 G1007 L1009 Q1016 R1017D115-R1011 IonicContact OD2-CZ 3.82Å; D115-R1011 IonicContact OD2-NE 2.89Å; D115-R1011 PolarHBondContact OD2-NE 3.17Å; D115-R1011 IonicContact OD2-NH2 3.43Å; D115-R1011 PolarHBondContact OD2-NH2 3.01Å; G1007-R1011 PolarHBondContact O-N 3.5Å; L1009-R1011 VanDerWaalsContact C-N 3.32Å; R1011-Q1016 WeakPolarHBondContact CD-O 3.48Å; R1011-Q1016 PolarHBondContact NH1-O 2.99Å; R1011-R1017 HydrophobicContact CB-CB 4.26Å; R1011-R1017 PolarHBondContact O-NE 2.94Å; R1011-R1017 PolarHBondContact O-NH2 2.87Å
1012R92.8Very high94Very high36 Ų3631.5 Ų31.514%0.13619%0.191CC..SBendtrans-67.5-50.1-176-75.4173.3162.368.616.4112.4P944 I987 V988 K990 L1010 A1014 R1017P944-R1012 HydrophobicContact CG-CB 4.28Å; P944-R1012 HydrophobicContact CG-CG 4.3Å; I987-R1012 PolarHBondContact O-NH2 3.49Å; V988-R1012 PolarHBondContact O-NE 3.36Å; K990-R1012 PolarHBondContact O-NH2 3.41Å; L1010-R1012 PolarHBondContact O-N 3.15Å; R1012-A1014 PolarHBondContact O-N 3.34Å; R1012-A1014 VanDerWaalsContact O-N 3.09Å; R1012-R1017 PolarHBondContact O-NH2 2.86Å
1013N90.6Very high93.9Very high65 Ų6536.6 Ų36.635%0.34822%0.215SC..SBendtrans-67.5106.7176.9-174.5-25.9000109.7A1015 Q1016 R1017N1013-A1015 PolarHBondContact O-N 3.48Å; N1013-A1015 PolarHBondContact OD1-N 3.32Å; N1013-A1015 VanDerWaalsContact OD1-N 3.16Å; N1013-Q1016 HydrophobicContact CB-CB 4.32Å; N1013-Q1016 HydrophobicContact CB-CG 4.36Å; N1013-Q1016 PolarHBondContact O-N 3.1Å; N1013-R1017 PolarHBondContact O-N 3.08Å
1014A92.7Very high94Very high23 Ų2334.9 Ų34.919%0.1921%0.208CC..G310 helixtrans-56.2-33.8-17700000112.8A955 R1012 Q1016 R1017 S1020A955-A1014 HydrophobicContact CB-CB 4.29Å; R1012-A1014 PolarHBondContact O-N 3.34Å; R1012-A1014 VanDerWaalsContact O-N 3.09Å; A1014-Q1016 PolarHBondContact O-N 2.67Å; A1014-R1017 PolarHBondContact O-N 3.13Å; A1014-S1020 WeakPolarHBondContact O-CB 3.47Å; A1014-S1020 PolarHBondContact O-OG 3.06Å
1015A91Very high94.2Very high81 Ų8134 Ų3467%0.66920%0.203SC*.G310 helixtrans-70.2-11.2177.300000114N1013N1013-A1015 PolarHBondContact O-N 3.48Å; N1013-A1015 PolarHBondContact OD1-N 3.32Å; N1013-A1015 VanDerWaalsContact OD1-N 3.16Å
1016Q91.7Very high94.2Very high101 Ų10137.8 Ų37.847%0.47222%0.221SC..G310 helixtrans-109.7-2.4176-64.4-58.2-42.200113.2R1011 N1013 A1014R1011-Q1016 WeakPolarHBondContact CD-O 3.48Å; R1011-Q1016 PolarHBondContact NH1-O 2.99Å; N1013-Q1016 HydrophobicContact CB-CB 4.32Å; N1013-Q1016 HydrophobicContact CB-CG 4.36Å; N1013-Q1016 PolarHBondContact O-N 3.1Å; A1014-Q1016 PolarHBondContact O-N 2.67Å
1017R95.9Very high94.2Very high5 Ų539.8 Ų39.82%0.01923%0.23CC..SBendtrans-82.4135.5-177.6-173.5-173.3-56.6145.36.4110.9E945 A955 L1009 R1011 R1012 N1013 A1014 S1020E945-R1017 IonicContact OE1-CZ 3.51Å; E945-R1017 IonicContact OE1-NH1 3.33Å; E945-R1017 PolarHBondContact OE1-NH1 3.16Å; E945-R1017 IonicContact OE1-NH2 3.48Å; E945-R1017 PolarHBondContact OE1-NH2 2.76Å; E945-R1017 IonicContact OE2-CZ 3.51Å; E945-R1017 IonicContact OE2-NH1 3.81Å; E945-R1017 PolarHBondContact OE2-NH1 3.11Å; E945-R1017 IonicContact OE2-NH2 3.86Å; E945-R1017 PolarHBondContact OE2-NH2 3.4Å; A955-R1017 PolarHBondContact O-NH1 2.78Å; L1009-R1017 WeakPolarHBondContact O-CD 3.35Å; L1009-R1017 VanDerWaalsContact O-CG 3.23Å; L1009-R1017 WeakPolarHBondContact O-CG 3.32Å; R1011-R1017 HydrophobicContact CB-CB 4.26Å; R1011-R1017 PolarHBondContact O-NE 2.94Å; R1011-R1017 PolarHBondContact O-NH2 2.87Å; R1012-R1017 PolarHBondContact O-NH2 2.86Å; N1013-R1017 PolarHBondContact O-N 3.08Å; A1014-R1017 PolarHBondContact O-N 3.13Å; R1017-S1020 WeakPolarHBondContact O-CB 3.35Å; R1017-S1020 PolarHBondContact O-N 2.98Å; R1017-S1020 VanDerWaalsContact O-N 3.11Å; R1017-S1020 PolarHBondContact O-OG 3.46Å
1018L96.1Very high94.3Very high17 Ų1738.9 Ų38.99%0.08922%0.221CC..THydrogen-bonded Turntrans-54.4136.4179179.171.5000112I1005 R1008 L1009 S1020 E1027 I1028 Q1031I1005-L1018 HydrophobicContact CG1-CD2 4.26Å; R1008-L1018 HydrophobicContact CB-CB 3.97Å; R1008-L1018 HydrophobicContact CB-CD2 4.25Å; R1008-L1018 PolarHBondContact O-N 3.27Å; L1009-L1018 HydrophobicContact CD2-CB 4.1Å; L1009-L1018 HydrophobicContact CD2-CD2 4.02Å; L1009-L1018 HydrophobicContact CD2-CG 4.32Å; L1009-L1018 HydrophobicContact CG-CD2 4.23Å; L1018-S1020 VanDerWaalsContact C-N 3.28Å; L1018-S1020 PolarHBondContact O-N 3.31Å; L1018-E1027 HydrophobicContact CD1-CB 3.66Å; L1018-I1028 HydrophobicContact CD2-CG1 3.88Å; L1018-I1028 HydrophobicContact CG-CG1 3.77Å; L1018-Q1031 HydrophobicContact CD1-CG 4.41Å; L1018-Q1031 HydrophobicContact CD2-CG 3.5Å
1019G95.5Very high94.5Very high0 Ų037.8 Ų37.80%022%0.218CC..THydrogen-bonded Turntrans81.7-0.5-177.100000114.3W958 S1021 D1024 E1027W958-G1019 VanDerWaalsContact CD1-C 3.48Å; W958-G1019 PolarHBondContact NE1-O 2.91Å; W958-G1019 VanDerWaalsContact NE1-O 3.07Å; G1019-S1021 VanDerWaalsContact C-N 3.33Å; G1019-D1024 WeakPolarHBondContact CA-O 3.43Å; G1019-D1024 WeakPolarHBondContact O-CA 3.37Å; G1019-E1027 WeakPolarHBondContact CA-OE2 3.32Å; G1019-E1027 PolarHBondContact N-OE2 2.91Å
1020S93Very high94.4Very high33 Ų3343.3 Ų43.323%0.23124%0.239CC..  trans-86.1-3.4-179.9-48.30000113.8A955 A1014 R1017 L1018A955-S1020 WeakPolarHBondContact CB-OG 3.39Å; A1014-S1020 WeakPolarHBondContact O-CB 3.47Å; A1014-S1020 PolarHBondContact O-OG 3.06Å; R1017-S1020 WeakPolarHBondContact O-CB 3.35Å; R1017-S1020 PolarHBondContact O-N 2.98Å; R1017-S1020 VanDerWaalsContact O-N 3.11Å; R1017-S1020 PolarHBondContact O-OG 3.46Å; L1018-S1020 VanDerWaalsContact C-N 3.28Å; L1018-S1020 PolarHBondContact O-N 3.31Å
1021S91.8Very high94.3Very high43 Ų4343.8 Ų43.830%0.30124%0.241SC..SBendtrans-80.1-179175.192.50000112.1R954 G1019 Q1023 D1024 E1027R954-S1021 PolarHBondContact NH2-O 2.99Å; G1019-S1021 VanDerWaalsContact C-N 3.33Å; S1021-Q1023 PolarHBondContact O-N 3.07Å; S1021-Q1023 PolarHBondContact OG-N 2.9Å; S1021-D1024 PolarHBondContact O-N 3.31Å; S1021-E1027 WeakPolarHBondContact CB-OE1 3.01Å; S1021-E1027 VanDerWaalsContact OG-CD 3.23Å; S1021-E1027 PolarHBondContact OG-OE1 3.16Å
1022A91.2Very high94.3Very high88 Ų8843.6 Ų43.673%0.72724%0.242SC*.THydrogen-bonded Turntrans-59.9-25.9170.700000113.3
1023Q93.2Very high94.5Very high108 Ų10842.2 Ų42.251%0.50524%0.238SC..THydrogen-bonded Turntrans-78.8-20.1-178.6-61.7-172.836.300113.7S1021 A1025 E1026 E1027S1021-Q1023 PolarHBondContact O-N 3.07Å; S1021-Q1023 PolarHBondContact OG-N 2.9Å; Q1023-A1025 PolarHBondContact O-N 2.89Å; Q1023-E1026 HydrophobicContact CB-CB 4.41Å; Q1023-E1026 WeakPolarHBondContact O-CB 3.23Å; Q1023-E1026 PolarHBondContact O-N 3Å; Q1023-E1026 VanDerWaalsContact O-N 3.15Å; Q1023-E1027 HydrophobicContact CB-CG 3.81Å
1024D96Very high94.8Very high11 Ų1139.2 Ų39.26%0.05922%0.221CC..THydrogen-bonded Turntrans55.5-129168.4-158.658.7000113.7H892 R954 W958 G1019 S1021 E1026 E1027H892-D1024 VanDerWaalsContact CB-OD2 3.3Å; H892-D1024 WeakPolarHBondContact CB-OD2 3.26Å; H892-D1024 IonicContact CE1-OD1 2.89Å; H892-D1024 IonicContact CG-OD2 2.84Å; H892-D1024 VanDerWaalsContact ND1-CG 3.26Å; H892-D1024 IonicContact ND1-OD1 3.1Å; H892-D1024 PolarHBondContact ND1-OD1 2.81Å; H892-D1024 IonicContact ND1-OD2 2.68Å; H892-D1024 PolarHBondContact ND1-OD2 3.39Å; R954-D1024 VanDerWaalsContact CZ-CG 3.43Å; R954-D1024 IonicContact CZ-OD1 3.85Å; R954-D1024 IonicContact NE-OD1 3.49Å; R954-D1024 PolarHBondContact NE-OD1 3.44Å; R954-D1024 VanDerWaalsContact NH1-CG 3.3Å; R954-D1024 IonicContact NH1-OD1 2.95Å; R954-D1024 PolarHBondContact NH1-OD1 2.74Å; R954-D1024 IonicContact NH1-OD2 2.73Å; R954-D1024 IonicContact NH2-OD1 3.95Å; W958-D1024 WeakPolarHBondContact CZ2-OD2 3.48Å; W958-D1024 PolarHBondContact NE1-OD1 2.82Å; G1019-D1024 WeakPolarHBondContact CA-O 3.43Å; G1019-D1024 WeakPolarHBondContact O-CA 3.37Å; S1021-D1024 PolarHBondContact O-N 3.31Å; D1024-E1026 PolarHBondContact O-N 3.07Å; D1024-E1027 PolarHBondContact O-N 3.37Å
1025A97.1Very high94.9Very high1 Ų142.9 Ų42.91%0.00823%0.23CC..Hα-helixtrans-52-28.9178.800000114.4V885 E889 W958 Q1023 E1027 I1028 K1029V885-A1025 HydrophobicContact CG1-CB 4.35Å; E889-A1025 HydrophobicContact CB-CB 3.59Å; E889-A1025 HydrophobicContact CG-CB 3.74Å; W958-A1025 HydrophobicContact CH2-CB 3.77Å; W958-A1025 HydrophobicContact CZ2-CB 3.85Å; Q1023-A1025 PolarHBondContact O-N 2.89Å; A1025-E1027 VanDerWaalsContact C-N 3.25Å; A1025-E1027 PolarHBondContact O-N 3.34Å; A1025-I1028 WeakPolarHBondContact O-CB 3.29Å; A1025-I1028 PolarHBondContact O-N 3.42Å; A1025-K1029 WeakPolarHBondContact O-CG 3.32Å; A1025-K1029 PolarHBondContact O-N 2.91Å
1026E96.7Very high94.9Very high81 Ų8147.8 Ų47.838%0.37924%0.237SC..Hα-helixtrans-61.2-30.5178.2-76.9-65.415700113.3Q1023 D1024 I1028 K1029 R1030Q1023-E1026 HydrophobicContact CB-CB 4.41Å; Q1023-E1026 WeakPolarHBondContact O-CB 3.23Å; Q1023-E1026 PolarHBondContact O-N 3Å; Q1023-E1026 VanDerWaalsContact O-N 3.15Å; D1024-E1026 PolarHBondContact O-N 3.07Å; E1026-I1028 VanDerWaalsContact C-N 3.33Å; E1026-K1029 VanDerWaalsContact CD-CE 3.42Å; E1026-K1029 WeakPolarHBondContact OE1-CE 3.31Å; E1026-K1029 IonicContact OE1-NZ 3.36Å; E1026-K1029 PolarHBondContact OE1-NZ 2.99Å; E1026-R1030 WeakPolarHBondContact O-CG 3.49Å; E1026-R1030 PolarHBondContact O-NE 2.84Å; E1026-R1030 PolarHBondContact O-NH1 2.76Å; E1026-R1030 IonicContact OE2-NH1 3.75Å
1027E95.4Very high95.1Very high42 Ų4243.9 Ų43.920%0.19622%0.219CC..Hα-helixtrans-69.5-35.1173.6-55.4-170.8154.100111.8L1018 G1019 S1021 Q1023 D1024 A1025 Q1031L1018-E1027 HydrophobicContact CD1-CB 3.66Å; G1019-E1027 WeakPolarHBondContact CA-OE2 3.32Å; G1019-E1027 PolarHBondContact N-OE2 2.91Å; S1021-E1027 WeakPolarHBondContact CB-OE1 3.01Å; S1021-E1027 VanDerWaalsContact OG-CD 3.23Å; S1021-E1027 PolarHBondContact OG-OE1 3.16Å; Q1023-E1027 HydrophobicContact CB-CG 3.81Å; D1024-E1027 PolarHBondContact O-N 3.37Å; A1025-E1027 VanDerWaalsContact C-N 3.25Å; A1025-E1027 PolarHBondContact O-N 3.34Å; E1027-Q1031 PolarHBondContact O-NE2 3.47Å
1028I97.5Very high95.2Very high0 Ų048 Ų480%024%0.241CC..Hα-helixtrans-74.4-46.6-177.9-64.6170000110V885 W958 L961 I1005 L1009 L1018 A1025 E1026 R1030 Q1031 F1034V885-I1028 HydrophobicContact CG1-CG2 4.36Å; V885-I1028 HydrophobicContact CG2-CG2 3.75Å; W958-I1028 HydrophobicContact CB-CD1 4.39Å; W958-I1028 HydrophobicContact CD2-CD1 3.28Å; W958-I1028 HydrophobicContact CE3-CD1 3.22Å; W958-I1028 HydrophobicContact CG-CD1 3.82Å; W958-I1028 HydrophobicContact CH2-CD1 3.97Å; W958-I1028 HydrophobicContact CZ2-CD1 4.02Å; W958-I1028 HydrophobicContact CZ3-CD1 3.59Å; L961-I1028 HydrophobicContact CD2-CD1 4.33Å; L961-I1028 HydrophobicContact CD2-CG2 4.13Å; I1005-I1028 HydrophobicContact CD1-CG2 4.46Å; L1009-I1028 HydrophobicContact CD2-CD1 4.04Å; L1009-I1028 HydrophobicContact CD2-CG1 4.3Å; L1018-I1028 HydrophobicContact CD2-CG1 3.88Å; L1018-I1028 HydrophobicContact CG-CG1 3.77Å; A1025-I1028 WeakPolarHBondContact O-CB 3.29Å; A1025-I1028 PolarHBondContact O-N 3.42Å; E1026-I1028 VanDerWaalsContact C-N 3.33Å; I1028-R1030 PolarHBondContact O-N 2.96Å; I1028-R1030 VanDerWaalsContact O-N 3.13Å; I1028-Q1031 WeakPolarHBondContact O-CG 3.35Å; I1028-Q1031 PolarHBondContact O-N 3.31Å; I1028-F1034 HydrophobicContact CG2-CD2 4.41Å; I1028-F1034 HydrophobicContact CG2-CE2 3.73Å; I1028-F1034 WeakPolarHBondContact O-CD2 3.13Å
1029K97.8Very high95.3Very high29 Ų2948.3 Ų48.313%0.12624%0.242CC..Hα-helixtrans-58-26.7178.3-67.6-174.9-61.6-171.70113.4V885 E889 A1025 E1026 F1039V885-K1029 HydrophobicContact CG1-CD 4.36Å; V885-K1029 HydrophobicContact CG1-CG 3.77Å; E889-K1029 IonicContact OE1-NZ 3.18Å; E889-K1029 PolarHBondContact OE1-NZ 3.45Å; E889-K1029 WeakPolarHBondContact OE2-CE 3.43Å; E889-K1029 IonicContact OE2-NZ 2.71Å; E889-K1029 PolarHBondContact OE2-NZ 3.24Å; A1025-K1029 WeakPolarHBondContact O-CG 3.32Å; A1025-K1029 PolarHBondContact O-N 2.91Å; E1026-K1029 VanDerWaalsContact CD-CE 3.42Å; E1026-K1029 WeakPolarHBondContact OE1-CE 3.31Å; E1026-K1029 IonicContact OE1-NZ 3.36Å; E1026-K1029 PolarHBondContact OE1-NZ 2.99Å; K1029-F1039 HydrophobicContact CB-CD2 3.96Å; K1029-F1039 HydrophobicContact CB-CE2 3.64Å; K1029-F1039 HydrophobicContact CB-CZ 3.98Å; K1029-F1039 HydrophobicContact CD-CB 4.41Å; K1029-F1039 HydrophobicContact CD-CD1 3.94Å; K1029-F1039 HydrophobicContact CD-CD2 4.2Å; K1029-F1039 HydrophobicContact CD-CE1 4.22Å; K1029-F1039 HydrophobicContact CD-CE2 4.47Å; K1029-F1039 HydrophobicContact CD-CG 3.92Å; K1029-F1039 HydrophobicContact CD-CZ 4.48Å; K1029-F1039 HydrophobicContact CG-CD1 3.99Å; K1029-F1039 HydrophobicContact CG-CD2 4Å; K1029-F1039 HydrophobicContact CG-CE1 3.78Å; K1029-F1039 HydrophobicContact CG-CE2 3.78Å; K1029-F1039 HydrophobicContact CG-CG 4.11Å; K1029-F1039 HydrophobicContact CG-CZ 3.66Å
1030R95.5Very high95.3Very high116 Ų11654.9 Ų54.944%0.43827%0.272SS..THydrogen-bonded Turntrans-85.5-6.5176.6-69.8-172.1-61.9-95.12.5115.5E1026 I1028E1026-R1030 WeakPolarHBondContact O-CG 3.49Å; E1026-R1030 PolarHBondContact O-NE 2.84Å; E1026-R1030 PolarHBondContact O-NH1 2.76Å; E1026-R1030 IonicContact OE2-NH1 3.75Å; I1028-R1030 PolarHBondContact O-N 2.96Å; I1028-R1030 VanDerWaalsContact O-N 3.13Å
1031Q95.8Very high95.5Very high16 Ų1654.2 Ų54.28%0.07527%0.269CS..SBendtrans-66.9145.7-179.4-62.1-52.5-7200111.8I1005 L1018 E1027 I1028 F1033 F1034I1005-Q1031 HydrophobicContact CD1-CB 4.02Å; I1005-Q1031 HydrophobicContact CD1-CG 4.14Å; I1005-Q1031 HydrophobicContact CG1-CB 4.37Å; I1005-Q1031 HydrophobicContact CG1-CG 4.2Å; L1018-Q1031 HydrophobicContact CD1-CG 4.41Å; L1018-Q1031 HydrophobicContact CD2-CG 3.5Å; E1027-Q1031 PolarHBondContact O-NE2 3.47Å; I1028-Q1031 WeakPolarHBondContact O-CG 3.35Å; I1028-Q1031 PolarHBondContact O-N 3.31Å; Q1031-F1033 PolarHBondContact O-N 3.05Å; Q1031-F1034 PolarHBondContact O-N 3.17Å
1032P93.9Very high95.8Very high19 Ų1952.1 Ų52.112%0.12326%0.255CS..G310 helixtrans-51.4-33.6-179.1-30.936.3000115.2E1001 F1034 R1035E1001-P1032 HydrophobicContact CB-CB 4.36Å; E1001-P1032 HydrophobicContact CG-CB 4Å; P1032-F1034 PolarHBondContact O-N 3.25Å; P1032-F1034 VanDerWaalsContact O-N 3.11Å; P1032-R1035 WeakPolarHBondContact O-CB 3.4Å; P1032-R1035 PolarHBondContact O-N 3.45Å
1033F96.4Very high96.1Very high8 Ų850.6 Ų50.64%0.03523%0.234CC..G310 helixtrans-52.7-31.2174.7-176.4-107.7000113.6E874 V878 A881 I965 L969 E1001 A1002 I1005 Q1031E874-F1033 HydrophobicContact CG-CE2 3.91Å; V878-F1033 HydrophobicContact CB-CE1 4.38Å; V878-F1033 HydrophobicContact CB-CZ 4.44Å; V878-F1033 HydrophobicContact CG2-CD1 3.98Å; V878-F1033 HydrophobicContact CG2-CD2 3.95Å; V878-F1033 HydrophobicContact CG2-CE1 3.66Å; V878-F1033 HydrophobicContact CG2-CE2 3.62Å; V878-F1033 HydrophobicContact CG2-CG 4.13Å; V878-F1033 HydrophobicContact CG2-CZ 3.47Å; V878-F1033 VanDerWaalsContact CG2-CZ 3.47Å; V878-F1033 WeakPolarHBondContact CG2-O 3.13Å; A881-F1033 HydrophobicContact CB-CE1 4.48Å; I965-F1033 HydrophobicContact CD1-CE1 4.2Å; I965-F1033 HydrophobicContact CG2-CE1 4.31Å; I965-F1033 HydrophobicContact CG2-CZ 3.93Å; L969-F1033 HydrophobicContact CD1-CE2 4.25Å; L969-F1033 HydrophobicContact CD1-CZ 4.4Å; E1001-F1033 HydrophobicContact CB-CB 4.41Å; A1002-F1033 HydrophobicContact CB-CD2 4.03Å; A1002-F1033 HydrophobicContact CB-CE2 3.88Å; I1005-F1033 HydrophobicContact CB-CB 4.16Å; I1005-F1033 HydrophobicContact CD1-CB 4.17Å; I1005-F1033 HydrophobicContact CD1-CD1 3.93Å; I1005-F1033 HydrophobicContact CD1-CG 4.38Å; I1005-F1033 HydrophobicContact CG2-CB 3.79Å; I1005-F1033 HydrophobicContact CG2-CD1 3.94Å; I1005-F1033 HydrophobicContact CG2-CD2 4.04Å; I1005-F1033 HydrophobicContact CG2-CE1 4.49Å; I1005-F1033 HydrophobicContact CG2-CG 3.68Å; Q1031-F1033 PolarHBondContact O-N 3.05Å
1034F97.4Very high96.3Very high2 Ų247.9 Ų47.91%0.00923%0.23CC..G310 helixtrans-101.13.8177.3-64-68.6000114.1V878 A881 V885 I1005 I1028 Q1031 P1032 K1036 L1037 F1039V878-F1034 HydrophobicContact CG1-CD1 3.98Å; V878-F1034 HydrophobicContact CG1-CE1 4.47Å; V878-F1034 WeakPolarHBondContact O-CE1 3.22Å; A881-F1034 HydrophobicContact CB-CE1 3.93Å; A881-F1034 HydrophobicContact CB-CZ 3.85Å; V885-F1034 HydrophobicContact CG2-CE2 4.42Å; V885-F1034 HydrophobicContact CG2-CZ 4.1Å; I1005-F1034 HydrophobicContact CD1-CD2 3.92Å; I1005-F1034 HydrophobicContact CD1-CE2 3.43Å; I1005-F1034 VanDerWaalsContact CD1-CE2 3.43Å; I1005-F1034 HydrophobicContact CD1-CZ 4.32Å; I1028-F1034 HydrophobicContact CG2-CD2 4.41Å; I1028-F1034 HydrophobicContact CG2-CE2 3.73Å; I1028-F1034 WeakPolarHBondContact O-CD2 3.13Å; Q1031-F1034 PolarHBondContact O-N 3.17Å; P1032-F1034 PolarHBondContact O-N 3.25Å; P1032-F1034 VanDerWaalsContact O-N 3.11Å; F1034-K1036 PolarHBondContact O-N 2.71Å; F1034-L1037 HydrophobicContact CD1-CD2 3.73Å; F1034-L1037 HydrophobicContact CE1-CD2 4.28Å; F1034-L1037 WeakPolarHBondContact O-CB 3.47Å; F1034-L1037 PolarHBondContact O-N 2.67Å; F1034-F1039 HydrophobicContact CB-CE2 3.73Å; F1034-F1039 HydrophobicContact CB-CZ 3.83Å; F1034-F1039 HydrophobicContact CD1-CE2 4.45Å; F1034-F1039 AromaticContact CD1-CZ 3.74Å; F1034-F1039 HydrophobicContact CD1-CZ 3.74Å; F1034-F1039 HydrophobicContact CD2-CZ 4.16Å; F1034-F1039 HydrophobicContact CE1-CZ 4.28Å; F1034-F1039 HydrophobicContact CG-CE2 4.12Å; F1034-F1039 AromaticContact CG-CZ 3.67Å; F1034-F1039 HydrophobicContact CG-CZ 3.67Å
1035R93.4Very high96.3Very high99 Ų9951 Ų5137%0.37424%0.244SC..THydrogen-bonded Turntrans-53.3-27.2-176.1174.7177.4-81.8160.4-5.3114.4E2 P1032E2-R1035 WeakPolarHBondContact OE1-CD 3.38Å; E2-R1035 IonicContact OE1-CZ 3.27Å; E2-R1035 IonicContact OE1-NE 2.97Å; E2-R1035 IonicContact OE1-NH1 2.83Å; E2-R1035 PolarHBondContact OE1-NH1 3.01Å; E2-R1035 IonicContact OE2-CZ 2.78Å; E2-R1035 IonicContact OE2-NH1 2.68Å; E2-R1035 PolarHBondContact OE2-NH1 2.82Å; P1032-R1035 WeakPolarHBondContact O-CB 3.4Å; P1032-R1035 PolarHBondContact O-N 3.45Å
1036K92.7Very high96.2Very high185 Ų18559 Ų5980%0.80428%0.278SS*.THydrogen-bonded Turntrans-95.43.8-179.1-65.7165.5-173.51420113.6F1034F1034-K1036 PolarHBondContact O-N 2.71Å
1037L95.8Very high96.2Very high19 Ų1957.3 Ų57.310%0.09927%0.272CS..  trans-111.5112.6-175.3-172.970.9000110.4V878 F1034 F1039 L1042 I1047V878-L1037 HydrophobicContact CG1-CB 4.27Å; V878-L1037 HydrophobicContact CG1-CD2 4.33Å; F1034-L1037 HydrophobicContact CD1-CD2 3.73Å; F1034-L1037 HydrophobicContact CE1-CD2 4.28Å; F1034-L1037 WeakPolarHBondContact O-CB 3.47Å; F1034-L1037 PolarHBondContact O-N 2.67Å; L1037-F1039 HydrophobicContact CD2-CD1 4.42Å; L1037-F1039 HydrophobicContact CD2-CE1 3.95Å; L1037-F1039 HydrophobicContact CD2-CE2 4.33Å; L1037-F1039 HydrophobicContact CD2-CZ 3.9Å; L1037-F1039 PolarHBondContact O-N 2.72Å; L1037-L1042 HydrophobicContact CD1-CD2 4.25Å; L1037-L1042 HydrophobicContact CD2-CD2 4.01Å; L1037-L1042 HydrophobicContact CG-CD2 4.39Å; L1037-I1047 HydrophobicContact CD1-CD1 3.86Å
1038D97Very high96.2Very high90 Ų9063.6 Ų63.648%0.48130%0.298SS..  trans-77.9104.7169177.2-9.8000109.2Q1040 A1041 L1042 I1047D1038-Q1040 VanDerWaalsContact C-N 3.26Å; D1038-Q1040 PolarHBondContact O-N 3.18Å; D1038-Q1040 WeakPolarHBondContact OD1-CA 3.05Å; D1038-Q1040 WeakPolarHBondContact OD1-CB 3.38Å; D1038-Q1040 PolarHBondContact OD1-N 2.76Å; D1038-A1041 HydrophobicContact CB-CB 3.85Å; D1038-A1041 VanDerWaalsContact CG-CB 3.45Å; D1038-A1041 PolarHBondContact O-N 3.23Å; D1038-A1041 PolarHBondContact OD1-N 3.18Å; D1038-A1041 WeakPolarHBondContact OD2-CB 3.4Å; D1038-L1042 WeakPolarHBondContact O-CB 3.11Å; D1038-L1042 PolarHBondContact O-N 3.18Å; D1038-I1047 HydrophobicContact CB-CD1 4.48Å; D1038-I1047 WeakPolarHBondContact O-CD1 3.32Å
1039F97.4Very high96Very high24 Ų2464.2 Ų64.211%0.10530%0.303CS..Hα-helixtrans-64-26.6178.7-76.3-84.3000113.8V885 L886 K1029 F1034 L1037 L1043V885-F1039 HydrophobicContact CB-CE1 4.38Å; V885-F1039 HydrophobicContact CG1-CE1 4.13Å; L886-F1039 HydrophobicContact CD1-CD1 4.07Å; L886-F1039 HydrophobicContact CD2-CB 4.48Å; L886-F1039 HydrophobicContact CD2-CD1 4.12Å; L886-F1039 HydrophobicContact CG-CD1 3.96Å; K1029-F1039 HydrophobicContact CB-CD2 3.96Å; K1029-F1039 HydrophobicContact CB-CE2 3.64Å; K1029-F1039 HydrophobicContact CB-CZ 3.98Å; K1029-F1039 HydrophobicContact CD-CB 4.41Å; K1029-F1039 HydrophobicContact CD-CD1 3.94Å; K1029-F1039 HydrophobicContact CD-CD2 4.2Å; K1029-F1039 HydrophobicContact CD-CE1 4.22Å; K1029-F1039 HydrophobicContact CD-CE2 4.47Å; K1029-F1039 HydrophobicContact CD-CG 3.92Å; K1029-F1039 HydrophobicContact CD-CZ 4.48Å; K1029-F1039 HydrophobicContact CG-CD1 3.99Å; K1029-F1039 HydrophobicContact CG-CD2 4Å; K1029-F1039 HydrophobicContact CG-CE1 3.78Å; K1029-F1039 HydrophobicContact CG-CE2 3.78Å; K1029-F1039 HydrophobicContact CG-CG 4.11Å; K1029-F1039 HydrophobicContact CG-CZ 3.66Å; F1034-F1039 HydrophobicContact CB-CE2 3.73Å; F1034-F1039 HydrophobicContact CB-CZ 3.83Å; F1034-F1039 HydrophobicContact CD1-CE2 4.45Å; F1034-F1039 AromaticContact CD1-CZ 3.74Å; F1034-F1039 HydrophobicContact CD1-CZ 3.74Å; F1034-F1039 HydrophobicContact CD2-CZ 4.16Å; F1034-F1039 HydrophobicContact CE1-CZ 4.28Å; F1034-F1039 HydrophobicContact CG-CE2 4.12Å; F1034-F1039 AromaticContact CG-CZ 3.67Å; F1034-F1039 HydrophobicContact CG-CZ 3.67Å; L1037-F1039 HydrophobicContact CD2-CD1 4.42Å; L1037-F1039 HydrophobicContact CD2-CE1 3.95Å; L1037-F1039 HydrophobicContact CD2-CE2 4.33Å; L1037-F1039 HydrophobicContact CD2-CZ 3.9Å; L1037-F1039 PolarHBondContact O-N 2.72Å; F1039-L1043 VanDerWaalsContact O-CB 3.27Å; F1039-L1043 WeakPolarHBondContact O-CB 3.43Å; F1039-L1043 PolarHBondContact O-N 2.87Å
1040Q97.1Very high95.8Very high138 Ų13865.5 Ų65.565%0.64531%0.314SS*.Hα-helixtrans-78.8-41177.1-65.6-65.7-26.700110.9D1038 L1042 A1044D1038-Q1040 VanDerWaalsContact C-N 3.26Å; D1038-Q1040 PolarHBondContact O-N 3.18Å; D1038-Q1040 WeakPolarHBondContact OD1-CA 3.05Å; D1038-Q1040 WeakPolarHBondContact OD1-CB 3.38Å; D1038-Q1040 PolarHBondContact OD1-N 2.76Å; Q1040-L1042 VanDerWaalsContact C-N 3.31Å; Q1040-A1044 VanDerWaalsContact O-CB 3.28Å; Q1040-A1044 WeakPolarHBondContact O-CB 3.31Å; Q1040-A1044 PolarHBondContact O-N 2.92Å
1041A97.5Very high95.6Very high19 Ų1963.1 Ų63.116%0.15731%0.307CS..Hα-helixtrans-66-34170.200000112.1D1038 Q1045 K1046 I1047D1038-A1041 HydrophobicContact CB-CB 3.85Å; D1038-A1041 VanDerWaalsContact CG-CB 3.45Å; D1038-A1041 PolarHBondContact O-N 3.23Å; D1038-A1041 PolarHBondContact OD1-N 3.18Å; D1038-A1041 WeakPolarHBondContact OD2-CB 3.4Å; A1041-Q1045 PolarHBondContact O-N 3.38Å; A1041-K1046 HydrophobicContact CB-CB 4.29Å; A1041-K1046 WeakPolarHBondContact O-CB 3.32Å; A1041-K1046 PolarHBondContact O-N 2.78Å; A1041-I1047 HydrophobicContact CB-CD1 4.17Å; A1041-I1047 HydrophobicContact CB-CG1 3.86Å
1042L97.7Very high95.5Very high0 Ų065.7 Ų65.70%032%0.323CS..Hα-helixtrans-65.4-53.9173.2-174.360.7000110.9F837 F879 L886 F913 L1037 D1038 Q1040 A1044 Q1045 I1047F837-L1042 HydrophobicContact CE2-CG 4.01Å; F837-L1042 HydrophobicContact CZ-CD1 4.11Å; F837-L1042 HydrophobicContact CZ-CG 3.9Å; F837-L1042 VanDerWaalsContact CZ-O 3.31Å; F837-L1042 WeakPolarHBondContact CZ-O 3.39Å; F879-L1042 HydrophobicContact CD2-CD1 4Å; F879-L1042 HydrophobicContact CE2-CD1 3.5Å; F879-L1042 HydrophobicContact CZ-CD1 3.95Å; L886-L1042 HydrophobicContact CD1-CB 4.31Å; L886-L1042 HydrophobicContact CD1-CD2 3.97Å; L886-L1042 HydrophobicContact CD1-CG 4.13Å; F913-L1042 HydrophobicContact CE1-CD1 4.49Å; L1037-L1042 HydrophobicContact CD1-CD2 4.25Å; L1037-L1042 HydrophobicContact CD2-CD2 4.01Å; L1037-L1042 HydrophobicContact CG-CD2 4.39Å; D1038-L1042 WeakPolarHBondContact O-CB 3.11Å; D1038-L1042 PolarHBondContact O-N 3.18Å; Q1040-L1042 VanDerWaalsContact C-N 3.31Å; L1042-A1044 PolarHBondContact O-N 3.24Å; L1042-Q1045 WeakPolarHBondContact O-CA 3.38Å; L1042-Q1045 PolarHBondContact O-N 3.02Å; L1042-I1047 HydrophobicContact CB-CD1 4.07Å; L1042-I1047 HydrophobicContact CD1-CB 4.42Å
1043L97.1Very high95.3Very high56 Ų5665.2 Ų65.229%0.29332%0.32SS..Hα-helixtrans-57.7-34.8178.9-174.463.3000112.3P836 L886 F1039 Q1045P836-L1043 HydrophobicContact CG-CD1 3.94Å; L886-L1043 HydrophobicContact CD1-CB 4.05Å; L886-L1043 HydrophobicContact CD1-CD1 4.43Å; F1039-L1043 VanDerWaalsContact O-CB 3.27Å; F1039-L1043 WeakPolarHBondContact O-CB 3.43Å; F1039-L1043 PolarHBondContact O-N 2.87Å; L1043-Q1045 PolarHBondContact O-N 3.35Å
1044A96.8Very high95.1Very high51 Ų5170.3 Ų70.342%0.42135%0.352SS..THydrogen-bonded Turntrans-81.39.717400000114.6Q1040 L1042 K1046Q1040-A1044 VanDerWaalsContact O-CB 3.28Å; Q1040-A1044 WeakPolarHBondContact O-CB 3.31Å; Q1040-A1044 PolarHBondContact O-N 2.92Å; L1042-A1044 PolarHBondContact O-N 3.24Å; A1044-K1046 HydrophobicContact CB-CD 4Å; A1044-K1046 HydrophobicContact CB-CG 4.19Å; A1044-K1046 PolarHBondContact O-N 2.94Å; A1044-K1046 VanDerWaalsContact O-N 3.13Å
1045Q95.9Very high94.7Very high76 Ų7672.6 Ų72.636%0.35537%0.366SS..THydrogen-bonded Turntrans53.927.2-178-64.3179.4-79.500114.8P836 F837 F913 A1041 L1042 L1043P836-Q1045 HydrophobicContact CB-CG 4.29Å; F837-Q1045 HydrophobicContact CE1-CG 4.38Å; F913-Q1045 HydrophobicContact CD1-CG 4.36Å; F913-Q1045 HydrophobicContact CD2-CG 4.36Å; F913-Q1045 HydrophobicContact CE1-CB 4.14Å; F913-Q1045 HydrophobicContact CE1-CG 4.15Å; F913-Q1045 HydrophobicContact CE2-CB 3.93Å; F913-Q1045 HydrophobicContact CE2-CG 4.14Å; F913-Q1045 HydrophobicContact CG-CG 4.47Å; F913-Q1045 HydrophobicContact CZ-CB 3.65Å; F913-Q1045 HydrophobicContact CZ-CG 4.04Å; F913-Q1045 WeakPolarHBondContact CZ-O 3.43Å; A1041-Q1045 PolarHBondContact O-N 3.38Å; L1042-Q1045 WeakPolarHBondContact O-CA 3.38Å; L1042-Q1045 PolarHBondContact O-N 3.02Å; L1043-Q1045 PolarHBondContact O-N 3.35Å
1046K96.3Very high94.5Very high168 Ų16873.1 Ų73.173%0.7339%0.385SS*.  trans-87.5-12.1-179.6-67.6170.8-174.3169.50113.9A1041 A1044A1041-K1046 HydrophobicContact CB-CB 4.29Å; A1041-K1046 WeakPolarHBondContact O-CB 3.32Å; A1041-K1046 PolarHBondContact O-N 2.78Å; A1044-K1046 HydrophobicContact CB-CD 4Å; A1044-K1046 HydrophobicContact CB-CG 4.19Å; A1044-K1046 PolarHBondContact O-N 2.94Å; A1044-K1046 VanDerWaalsContact O-N 3.13Å
1047I95.6Very high94.4Very high46 Ų4665.6 Ų65.624%0.23636%0.36CS..SBendtrans-89.9117.8173.9-57.5-174.4000108.8F879 F913 L1037 D1038 A1041 L1042 P1049F879-I1047 HydrophobicContact CD2-CG2 4.01Å; F879-I1047 HydrophobicContact CE2-CB 4.2Å; F879-I1047 HydrophobicContact CE2-CG2 3.81Å; F913-I1047 WeakPolarHBondContact CE1-O 3.43Å; F913-I1047 WeakPolarHBondContact CZ-O 3.28Å; L1037-I1047 HydrophobicContact CD1-CD1 3.86Å; D1038-I1047 HydrophobicContact CB-CD1 4.48Å; D1038-I1047 WeakPolarHBondContact O-CD1 3.32Å; A1041-I1047 HydrophobicContact CB-CD1 4.17Å; A1041-I1047 HydrophobicContact CB-CG1 3.86Å; L1042-I1047 HydrophobicContact CB-CD1 4.07Å; L1042-I1047 HydrophobicContact CD1-CB 4.42Å; I1047-P1049 WeakPolarHBondContact O-CD 3.18Å
1048K94.8Very high94Very high174 Ų17468.3 Ų68.376%0.75738%0.378SS*.PPolyproline II helixtrans-59127.4177.4-179.1177.8177.31760110.9
1049P95Very high93.7Very high14 Ų1467.8 Ų67.89%0.09137%0.373CS..PPolyproline II helixtrans-58146.6175.9-29.838.4000114.3F879 E911 G912 F913 I1047 F1051F879-P1049 HydrophobicContact CE1-CB 4.1Å; F879-P1049 HydrophobicContact CE1-CG 4.42Å; F879-P1049 HydrophobicContact CZ-CB 3.95Å; F879-P1049 HydrophobicContact CZ-CG 3.9Å; E911-P1049 WeakPolarHBondContact O-CG 3.17Å; G912-P1049 WeakPolarHBondContact O-CB 3.35Å; F913-P1049 HydrophobicContact CD1-CG 4.02Å; F913-P1049 HydrophobicContact CD2-CG 3.9Å; F913-P1049 HydrophobicContact CE1-CG 3.88Å; F913-P1049 HydrophobicContact CE2-CG 3.75Å; F913-P1049 HydrophobicContact CG-CG 4.02Å; F913-P1049 HydrophobicContact CZ-CG 3.74Å; I1047-P1049 WeakPolarHBondContact O-CD 3.18Å; P1049-F1051 VanDerWaalsContact C-N 3.3Å; P1049-F1051 PolarHBondContact O-N 3.43Å
1050P93.6Very high93.4Very high56 Ų5667.6 Ų67.636%0.36437%0.373SS..SBendtrans-76.5-16.6-176.331.8-36.8000113.6Q876 F879 Y880Q876-P1050 HydrophobicContact CB-CB 4.24Å; Q876-P1050 HydrophobicContact CB-CG 4.16Å; Q876-P1050 HydrophobicContact CG-CB 4Å; Q876-P1050 HydrophobicContact CG-CG 4.45Å; F879-P1050 HydrophobicContact CB-CG 4.18Å; F879-P1050 HydrophobicContact CD1-CG 3.85Å; F879-P1050 HydrophobicContact CE1-CG 4.48Å; F879-P1050 HydrophobicContact CG-CG 4.07Å; Y880-P1050 HydrophobicContact CE1-CG 4.38Å; Y880-P1050 HydrophobicContact CE2-CG 4.19Å
1051F91.5Very high93.1Very high65 Ų6562.4 Ų62.429%0.28535%0.351SS..  trans-144.3136.4172.4163.8-93.8000107.2L866 L908 P1049 P1053L866-F1051 HydrophobicContact CD1-CD1 4.19Å; L866-F1051 HydrophobicContact CD1-CD2 4.41Å; L866-F1051 HydrophobicContact CD1-CE1 3.78Å; L866-F1051 HydrophobicContact CD1-CE2 4.03Å; L866-F1051 HydrophobicContact CD1-CG 4.49Å; L866-F1051 HydrophobicContact CD1-CZ 3.69Å; L866-F1051 HydrophobicContact CD2-CD1 3.51Å; L866-F1051 HydrophobicContact CD2-CE1 3.79Å; L866-F1051 HydrophobicContact CD2-CG 4.02Å; L866-F1051 HydrophobicContact CD2-CZ 4.5Å; L866-F1051 HydrophobicContact CG-CE1 4.44Å; L908-F1051 HydrophobicContact CD1-CD1 4.02Å; L908-F1051 HydrophobicContact CD1-CE1 4.06Å; P1049-F1051 VanDerWaalsContact C-N 3.3Å; P1049-F1051 PolarHBondContact O-N 3.43Å; F1051-P1053 HydrophobicContact CE1-CB 4.11Å; F1051-P1053 HydrophobicContact CZ-CB 4.43Å
1052V92.7Very high92.7Very high70 Ų7065.5 Ų65.542%0.42437%0.371SS..  trans-114.8127.2174.6-174.30000106.1S910 E911S910-V1052 WeakPolarHBondContact O-CG1 3.29Å; E911-V1052 WeakPolarHBondContact O-CG2 3.4Å
1053P90.7Very high92.3Very high9 Ų966.7 Ų66.76%0.05838%0.377CS..  trans-66149.2179.928.1-34.5000111.3D909 F1051 V1055D909-P1053 VanDerWaalsContact O-CG 3.26Å; D909-P1053 WeakPolarHBondContact O-CG 3.44Å; F1051-P1053 HydrophobicContact CE1-CB 4.11Å; F1051-P1053 HydrophobicContact CZ-CB 4.43Å; P1053-V1055 HydrophobicContact CB-CG2 4.31Å; P1053-V1055 HydrophobicContact CG-CG2 4.27Å
1054V90.9Very high91.9Very high115 Ų11565.3 Ų65.370%0.69737%0.369SS*.  trans-79.1124.4168.4-178.60000107.4N1063V1054-N1063 PolarHBondContact O-ND2 2.8Å
1055V89.5Confident91.3Very high50 Ų5066.4 Ų66.430%0.30337%0.368SS..  trans-136.1114.1179.4-178.90000107.3Q859 P1053 G1057 D1060Q859-V1055 HydrophobicContact CB-CG1 4.17Å; Q859-V1055 HydrophobicContact CB-CG2 3.98Å; P1053-V1055 HydrophobicContact CB-CG2 4.31Å; P1053-V1055 HydrophobicContact CG-CG2 4.27Å; V1055-G1057 WeakPolarHBondContact CG1-O 3.29Å; V1055-D1060 HydrophobicContact CG1-CB 4.2Å
1056S89.3Confident90.8Very high110 Ų11068 Ų6877%0.76938%0.375SS*.SBendtrans-83.5-17.9-177.162.40000114D1060S1056-D1060 WeakPolarHBondContact CB-OD2 3.4Å; S1056-D1060 PolarHBondContact N-OD2 2.84Å; S1056-D1060 VanDerWaalsContact OG-CG 3.27Å; S1056-D1060 PolarHBondContact OG-OD2 3.33Å
1057G89.5Confident90.2Very high27 Ų2764.3 Ų64.328%0.27836%0.361SS..SBendtrans-179.4176.1177.700000112.3V1055 E1059 D1060V1055-G1057 WeakPolarHBondContact CG1-O 3.29Å; G1057-E1059 PolarHBondContact O-N 2.84Å; G1057-D1060 WeakPolarHBondContact O-CB 3.48Å; G1057-D1060 PolarHBondContact O-N 3.06Å; G1057-D1060 VanDerWaalsContact O-N 3.09Å
1058P88.2Confident89.8Confident76 Ų7664 Ų6449%0.49436%0.358SS..THydrogen-bonded Turntrans-72-15.4-176.531.1-37.1000113.9Y800Y800-P1058 HydrophobicContact CD2-CB 3.72Å; Y800-P1058 HydrophobicContact CD2-CG 4.41Å; Y800-P1058 HydrophobicContact CE2-CB 3.71Å; Y800-P1058 HydrophobicContact CE2-CG 3.89Å; Y800-P1058 HydrophobicContact CG-CB 4.44Å
1059E91.6Very high89.5Confident79 Ų7957.2 Ų57.237%0.36933%0.331SS..THydrogen-bonded Turntrans-97.25.3172.6-63.1-167.4-123.500112.9R776 V778 Y800 G1057 V1061R776-E1059 IonicContact CZ-OE1 3.45Å; R776-E1059 IonicContact CZ-OE2 2.71Å; R776-E1059 IonicContact NH1-OE1 3.35Å; R776-E1059 IonicContact NH2-OE1 2.7Å; R776-E1059 PolarHBondContact NH2-OE1 3.42Å; R776-E1059 IonicContact NH2-OE2 3.95Å; R776-E1059 PolarHBondContact NH2-OE2 2.95Å; V778-E1059 HydrophobicContact CG1-CB 4.41Å; V778-E1059 HydrophobicContact CG1-CG 4.43Å; V778-E1059 VanDerWaalsContact CG1-OE2 3.27Å; V778-E1059 WeakPolarHBondContact CG1-OE2 3.31Å; Y800-E1059 HydrophobicContact CD1-CG 4.46Å; Y800-E1059 HydrophobicContact CE1-CG 3.52Å; Y800-E1059 WeakPolarHBondContact OH-CG 3.45Å; Y800-E1059 PolarHBondContact OH-OE1 2.91Å; G1057-E1059 PolarHBondContact O-N 2.84Å; E1059-V1061 PolarHBondContact O-N 3.18Å
1060D90.4Very high89.1Confident21 Ų2165.3 Ų65.311%0.11236%0.36CS..  trans-67.6131.7177.8-164.4-18.5000110.5Y857 V1055 S1056 G1057 S1062Y857-D1060 PolarHBondContact OH-O 3.03Å; V1055-D1060 HydrophobicContact CG1-CB 4.2Å; S1056-D1060 WeakPolarHBondContact CB-OD2 3.4Å; S1056-D1060 PolarHBondContact N-OD2 2.84Å; S1056-D1060 VanDerWaalsContact OG-CG 3.27Å; S1056-D1060 PolarHBondContact OG-OD2 3.33Å; G1057-D1060 WeakPolarHBondContact O-CB 3.48Å; G1057-D1060 PolarHBondContact O-N 3.06Å; G1057-D1060 VanDerWaalsContact O-N 3.09Å; D1060-S1062 WeakPolarHBondContact OD1-CB 3.45Å; D1060-S1062 PolarHBondContact OD1-N 3.48Å; D1060-S1062 PolarHBondContact OD1-OG 3.11Å; D1060-S1062 PolarHBondContact OD2-OG 2.85Å
1061V91Very high88.9Confident29 Ų2965.8 Ų65.818%0.17636%0.357CS..  trans-129.214.7177.9-62.90000112.2A779 L781 L791 E1059 N1063 F1064 T1069A779-V1061 HydrophobicContact CB-CG1 3.97Å; L781-V1061 HydrophobicContact CD2-CG1 3.78Å; L791-V1061 HydrophobicContact CD2-CG1 3.68Å; E1059-V1061 PolarHBondContact O-N 3.18Å; V1061-N1063 PolarHBondContact O-N 3.47Å; V1061-F1064 HydrophobicContact CB-CD2 4.25Å; V1061-F1064 WeakPolarHBondContact O-CB 3.33Å; V1061-F1064 PolarHBondContact O-N 2.68Å; V1061-T1069 HydrophobicContact CB-CG2 3.8Å; V1061-T1069 HydrophobicContact CG2-CG2 3.76Å
1062S89.7Confident88.6Confident83 Ų8370.9 Ų70.958%0.5838%0.379SS*.THydrogen-bonded Turntrans-65.9-14.3-179.260.20000114.6D1060D1060-S1062 WeakPolarHBondContact OD1-CB 3.45Å; D1060-S1062 PolarHBondContact OD1-N 3.48Å; D1060-S1062 PolarHBondContact OD1-OG 3.11Å; D1060-S1062 PolarHBondContact OD2-OG 2.85Å
1063N89Confident88.4Confident25 Ų2568.1 Ų68.113%0.13436%0.364CS..THydrogen-bonded Turntrans-87.82.1171.7-60.7-55.5000113.6Q859 G861 V1054 V1061Q859-N1063 PolarHBondContact O-ND2 3.48Å; G861-N1063 WeakPolarHBondContact CA-O 3.47Å; V1054-N1063 PolarHBondContact O-ND2 2.8Å; V1061-N1063 PolarHBondContact O-N 3.47Å
1064F87.7Confident88.2Confident28 Ų2871.4 Ų71.412%0.12338%0.383CS..SBendtrans-112.4157.7179.7-63.6-95.6000112.1L781 Y857 A858 V1061 E1066 T1069L781-F1064 HydrophobicContact CB-CD1 4.11Å; L781-F1064 HydrophobicContact CB-CE1 4.16Å; L781-F1064 HydrophobicContact CD1-CE1 4.49Å; L781-F1064 HydrophobicContact CD2-CD1 4.02Å; L781-F1064 HydrophobicContact CD2-CD2 3.93Å; L781-F1064 HydrophobicContact CD2-CE1 4.02Å; L781-F1064 HydrophobicContact CD2-CE2 3.94Å; L781-F1064 HydrophobicContact CD2-CG 3.98Å; L781-F1064 HydrophobicContact CD2-CZ 3.98Å; L781-F1064 HydrophobicContact CG-CE1 4.45Å; Y857-F1064 AromaticContact CE2-CE2 3.86Å; Y857-F1064 HydrophobicContact CE2-CE2 3.86Å; Y857-F1064 AromaticContact CE2-CZ 3.7Å; Y857-F1064 HydrophobicContact CE2-CZ 3.7Å; Y857-F1064 WeakPolarHBondContact OH-CE2 3.42Å; A858-F1064 WeakPolarHBondContact O-CZ 3.27Å; V1061-F1064 HydrophobicContact CB-CD2 4.25Å; V1061-F1064 WeakPolarHBondContact O-CB 3.33Å; V1061-F1064 PolarHBondContact O-N 2.68Å; F1064-E1066 PolarHBondContact O-N 3.1Å; F1064-T1069 HydrophobicContact CB-CG2 3.76Å
1065D85Confident87.7Confident74 Ų7467.9 Ų67.940%0.39636%0.361SS..  trans-63.4128-177.7-173.4-9.6000112.7E1067 F1068 T1069D1065-E1067 PolarHBondContact O-N 3.46Å; D1065-E1067 PolarHBondContact OD1-N 2.62Å; D1065-F1068 HydrophobicContact CB-CD2 3.82Å; D1065-F1068 HydrophobicContact CB-CE2 4.02Å; D1065-F1068 PolarHBondContact O-N 2.71Å; D1065-T1069 PolarHBondContact O-N 2.97Å; D1065-T1069 VanDerWaalsContact O-N 3.09Å
1066E84.8Confident87.1Confident109 Ų10967.6 Ų67.651%0.50936%0.359SS..Hα-helixtrans-65-16.5175.3-97.4-158.5132.900114.2F1064 F1068 R1070F1064-E1066 PolarHBondContact O-N 3.1Å; E1066-F1068 PolarHBondContact O-N 2.86Å; E1066-R1070 VanDerWaalsContact CD-CZ 3.42Å; E1066-R1070 HydrophobicContact CG-CG 4.46Å; E1066-R1070 WeakPolarHBondContact O-CG 3.35Å; E1066-R1070 IonicContact OE1-CZ 3.99Å; E1066-R1070 IonicContact OE1-NE 2.75Å; E1066-R1070 PolarHBondContact OE1-NE 3.18Å; E1066-R1070 IonicContact OE1-NH2 3.9Å; E1066-R1070 PolarHBondContact OE1-NH2 2.7Å; E1066-R1070 IonicContact OE2-CZ 3.86Å; E1066-R1070 IonicContact OE2-NE 2.69Å; E1066-R1070 IonicContact OE2-NH2 3.82Å; E1066-R1070 PolarHBondContact OE2-NH2 3.17Å
1067E84.4Confident86.1Confident91 Ų9165.5 Ų65.543%0.42534%0.343SS..Hα-helixtrans-58.7-28.6166.8-163.6-172.9138.300110.2R554 K558 D1065R554-E1067 IonicContact CZ-OE2 2.73Å; R554-E1067 VanDerWaalsContact CZ-OE2 3.31Å; R554-E1067 IonicContact NH1-OE1 3.42Å; R554-E1067 IonicContact NH1-OE2 3.49Å; R554-E1067 PolarHBondContact NH1-OE2 3.32Å; R554-E1067 IonicContact NH2-OE2 2.97Å; R554-E1067 PolarHBondContact NH2-OE2 3.45Å; K558-E1067 IonicContact NZ-OE1 2.65Å; K558-E1067 PolarHBondContact NZ-OE1 2.86Å; D1065-E1067 PolarHBondContact O-N 3.46Å; D1065-E1067 PolarHBondContact OD1-N 2.62Å
1068F86.9Confident84.9Confident39 Ų3965.8 Ų65.817%0.17134%0.339CS..Hα-helixtrans-105.5-47.2-176.7-50.3-46.4000113.8V780 R783 D1065 E1066 R1070 E1071V780-F1068 HydrophobicContact CG1-CB 4.39Å; V780-F1068 CarbonylContact O-C 3.58Å; R783-F1068 HydrophobicContact CB-CD1 4.16Å; R783-F1068 HydrophobicContact CB-CE1 4.03Å; D1065-F1068 HydrophobicContact CB-CD2 3.82Å; D1065-F1068 HydrophobicContact CB-CE2 4.02Å; D1065-F1068 PolarHBondContact O-N 2.71Å; E1066-F1068 PolarHBondContact O-N 2.86Å; F1068-R1070 PolarHBondContact O-N 3.12Å; F1068-R1070 VanDerWaalsContact O-N 3.12Å; F1068-E1071 WeakPolarHBondContact O-CB 3.28Å; F1068-E1071 PolarHBondContact O-N 2.98Å
1069T88.4Confident83.4Confident31 Ų3171.1 Ų71.119%0.1935%0.354CS..Hα-helixtrans-64.3-23.9-172.758.90000113.2V780 V1061 F1064 D1065V780-T1069 WeakPolarHBondContact O-CA 3.32Å; V780-T1069 PolarHBondContact O-N 3.23Å; V1061-T1069 HydrophobicContact CB-CG2 3.8Å; V1061-T1069 HydrophobicContact CG2-CG2 3.76Å; F1064-T1069 HydrophobicContact CB-CG2 3.76Å; D1065-T1069 PolarHBondContact O-N 2.97Å; D1065-T1069 VanDerWaalsContact O-N 3.09Å
1070R87.3Confident81.7Confident184 Ų18476.2 Ų76.269%0.69438%0.378SS*.THydrogen-bonded Turntrans-78.4-12.9171.2-64.4178.5173.2-175.63.8114.4E1066 F1068E1066-R1070 VanDerWaalsContact CD-CZ 3.42Å; E1066-R1070 HydrophobicContact CG-CG 4.46Å; E1066-R1070 WeakPolarHBondContact O-CG 3.35Å; E1066-R1070 IonicContact OE1-CZ 3.99Å; E1066-R1070 IonicContact OE1-NE 2.75Å; E1066-R1070 PolarHBondContact OE1-NE 3.18Å; E1066-R1070 IonicContact OE1-NH2 3.9Å; E1066-R1070 PolarHBondContact OE1-NH2 2.7Å; E1066-R1070 IonicContact OE2-CZ 3.86Å; E1066-R1070 IonicContact OE2-NE 2.69Å; E1066-R1070 IonicContact OE2-NH2 3.82Å; E1066-R1070 PolarHBondContact OE2-NH2 3.17Å; F1068-R1070 PolarHBondContact O-N 3.12Å; F1068-R1070 VanDerWaalsContact O-N 3.12Å
1071E88Confident80.3Confident67 Ų6779.6 Ų79.631%0.31339%0.389SS..SBendtrans-75.5134.2175.9-164.9-174.7175.900110.3V780 R783 K788 F1068 A1073V780-E1071 HydrophobicContact CB-CB 4.46Å; V780-E1071 HydrophobicContact CG2-CB 4.13Å; V780-E1071 WeakPolarHBondContact CG2-O 3.35Å; R783-E1071 IonicContact NH1-OE1 3.99Å; R783-E1071 IonicContact NH1-OE2 2.75Å; K788-E1071 VanDerWaalsContact CE-OE1 3.29Å; K788-E1071 WeakPolarHBondContact CE-OE1 3.44Å; K788-E1071 WeakPolarHBondContact CE-OE2 3.37Å; K788-E1071 IonicContact NZ-OE1 3.76Å; K788-E1071 PolarHBondContact NZ-OE1 3.35Å; K788-E1071 IonicContact NZ-OE2 2.68Å; K788-E1071 PolarHBondContact NZ-OE2 3.48Å; F1068-E1071 WeakPolarHBondContact O-CB 3.28Å; F1068-E1071 PolarHBondContact O-N 2.98Å; E1071-A1073 PolarHBondContact O-N 2.91Å
1072K86.6Confident79.1Confident171 Ų17183.2 Ų83.274%0.74341%0.414SS*.  trans-56.5124.4177.9-164-174.5178.8174.20110.7V1074K1072-V1074 HydrophobicContact CD-CG2 4Å; K1072-V1074 HydrophobicContact CG-CG2 3.99Å; K1072-V1074 PolarHBondContact O-N 3Å
1073A88.4Confident78.2Confident12 Ų1285.1 Ų85.110%0.09942%0.424CS..  trans-70.469.3-177.300000113.1T777 V778 V780 E1071T777-A1073 PolarHBondContact OG1-O 3.44Å; V778-A1073 WeakPolarHBondContact O-CB 3.39Å; V780-A1073 HydrophobicContact CG2-CB 4.48Å; E1071-A1073 PolarHBondContact O-N 2.91Å
1074V85.3Confident77.7Confident78 Ų7885.7 Ų85.747%0.47343%0.427SS..  trans-132.2141.7179.8-178.30000109.6K788 K1072K788-V1074 PolarHBondContact NZ-O 2.85Å; K1072-V1074 HydrophobicContact CD-CG2 4Å; K1072-V1074 HydrophobicContact CG-CG2 3.99Å; K1072-V1074 PolarHBondContact O-N 3Å
1075L82Confident77.6Confident42 Ų4290 Ų9022%0.2245%0.451CS..  trans-54.8141.6172.4-65.5178.8000111M772 L790 S805 M852 P1077M772-L1075 HydrophobicContact CE-CD1 4.35Å; M772-L1075 HydrophobicContact CE-CD2 4.5Å; M772-L1075 HydrophobicContact CE-CG 4.46Å; M772-L1075 HydrophobicContact CG-CD1 3.97Å; M772-L1075 HydrophobicContact SD-CD1 4.35Å; L790-L1075 HydrophobicContact CD1-CD2 3.89Å; S805-L1075 WeakPolarHBondContact OG-CD2 3.29Å; M852-L1075 HydrophobicContact CE-CD1 3.61Å; M852-L1075 HydrophobicContact CE-CD2 3.67Å; M852-L1075 HydrophobicContact CE-CG 4.32Å; M852-L1075 HydrophobicContact SD-CD2 4.43Å; L1075-P1077 VanDerWaalsContact O-CD 3.25Å; L1075-P1077 WeakPolarHBondContact O-CD 3.43Å
1076T75.8Confident77.5Confident44 Ų4493.7 Ų93.727%0.2747%0.47SS..  trans-90.5104.7-176.3-53.40000110.1K788 K807K788-T1076 WeakPolarHBondContact CE-OG1 3.22Å; K807-T1076 WeakPolarHBondContact CE-O 3.28Å
1077P69.3Low77.4Confident66 Ų6691.9 Ų91.943%0.42947%0.474SS..  trans-64.6148.9-170.728.9-37.3000112.4L1075 K1079L1075-P1077 VanDerWaalsContact O-CD 3.25Å; L1075-P1077 WeakPolarHBondContact O-CD 3.43Å; P1077-K1079 HydrophobicContact CB-CG 4.16Å; P1077-K1079 HydrophobicContact CG-CD 4.5Å; P1077-K1079 HydrophobicContact CG-CG 4.21Å; P1077-K1079 PolarHBondContact O-N 3.29Å
1078T64.3Low77.6Confident32 Ų3289.5 Ų89.520%0.19646%0.464CS..  trans-84.343.6-174.663.60000114.2K807 E849 Q1080K807-T1078 HydrophobicContact CB-CG2 4.3Å; K807-T1078 HydrophobicContact CD-CG2 4.12Å; K807-T1078 HydrophobicContact CG-CG2 4.08Å; E849-T1078 HydrophobicContact CB-CG2 3.94Å; E849-T1078 HydrophobicContact CG-CG2 4.23Å; E849-T1078 WeakPolarHBondContact CG-OG1 3.29Å; E849-T1078 PolarHBondContact OE2-N 2.9Å; E849-T1078 PolarHBondContact OE2-OG1 3.06Å; T1078-Q1080 PolarHBondContact O-N 2.94Å
1079K56Low77.6Confident188 Ų18889.7 Ų89.782%0.81747%0.465SS*.THydrogen-bonded Turntrans-64.611.8-175-62-166.5176.4-170.80116.8P1077P1077-K1079 HydrophobicContact CB-CG 4.16Å; P1077-K1079 HydrophobicContact CG-CD 4.5Å; P1077-K1079 HydrophobicContact CG-CG 4.21Å; P1077-K1079 PolarHBondContact O-N 3.29Å
1080Q55.7Low77.6Confident186 Ų18693.9 Ų93.987%0.86949%0.486SS*.THydrogen-bonded Turntrans-124.90.8-169.8-72-177.7-25.100115T1078T1078-Q1080 PolarHBondContact O-N 2.94Å
1081R60.9Low77.6Confident93 Ų9388.7 Ų88.735%0.35147%0.472SS..SBendtrans-137162.1170.8-73-160.5-172.810313.1110.1A809 E810A809-R1081 PolarHBondContact O-NH1 2.92Å; E810-R1081 IonicContact OE2-CZ 3.88Å; E810-R1081 IonicContact OE2-NH1 2.72Å; E810-R1081 PolarHBondContact OE2-NH1 3.37Å; E810-R1081 IonicContact OE2-NH2 3.18Å; E810-R1081 PolarHBondContact OE2-NH2 2.96Å
1082P65.9Low77.7Confident105 Ų10585.5 Ų85.568%0.68246%0.457SS*.PPolyproline II helixtrans-54.7155.8169.3-24.535000112.1
1083P69.7Low77.7Confident122 Ų12280.6 Ų80.679%0.79244%0.444SS*.PPolyproline II helixtrans-55.4142.8165.9-2233.7000110.9
1084L79.6Confident77.6Confident37 Ų3786.2 Ų86.219%0.19447%0.473CS..PPolyproline II helixtrans-66.6140.7174.3-68.5-179.1000111.1K808 A809 I812 D1088 Q1089K808-L1084 HydrophobicContact CB-CD1 3.47Å; K808-L1084 VanDerWaalsContact CB-CD1 3.47Å; K808-L1084 HydrophobicContact CD-CD1 4.32Å; A809-L1084 HydrophobicContact CB-CD1 4.39Å; A809-L1084 HydrophobicContact CB-CD2 3.95Å; A809-L1084 HydrophobicContact CB-CG 4.22Å; I812-L1084 HydrophobicContact CD1-CD1 3.85Å; I812-L1084 HydrophobicContact CD1-CD2 3.77Å; I812-L1084 HydrophobicContact CD1-CG 4.44Å; L1084-D1088 HydrophobicContact CB-CB 3.89Å; L1084-D1088 HydrophobicContact CD2-CB 4.02Å; L1084-D1088 HydrophobicContact CG-CB 4.38Å; L1084-Q1089 HydrophobicContact CB-CG 4.47Å
1085L84.7Confident77.9Confident120 Ų12082.5 Ų82.563%0.62845%0.45SS*.PPolyproline II helixtrans-71.4161174.5-58.6173.4000110.6A1087 D1088 Q1089L1085-A1087 PolarHBondContact O-N 3.45Å; L1085-D1088 WeakPolarHBondContact CB-OD2 3.28Å; L1085-D1088 PolarHBondContact N-OD2 2.86Å; L1085-D1088 WeakPolarHBondContact O-CA 3.24Å; L1085-D1088 VanDerWaalsContact O-CB 3.29Å; L1085-D1088 WeakPolarHBondContact O-CB 3.41Å; L1085-D1088 PolarHBondContact O-N 3.05Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.45Å; L1085-Q1089 PolarHBondContact O-N 2.91Å
1086D83.9Confident78.3Confident150 Ų15083.7 Ų83.780%0.80246%0.457SS*.Hα-helixtrans-62.3-30.7176.5-62.3-50.7000112.2Q1089 L1090D1086-Q1089 PolarHBondContact O-N 2.75Å; D1086-L1090 PolarHBondContact O-N 2.81Å; D1086-L1090 VanDerWaalsContact O-N 3.11Å
1087A83.5Confident78.9Confident71 Ų7183.9 Ų83.959%0.58745%0.453SS*.Hα-helixtrans-64.3-37.7170.100000112.7L1085 L1090 N1091L1085-A1087 PolarHBondContact O-N 3.45Å; A1087-L1090 PolarHBondContact O-N 2.78Å; A1087-N1091 PolarHBondContact O-ND2 2.83Å
1088D86.6Confident79.7Confident41 Ų4185.3 Ų85.322%0.21945%0.451CS..Hα-helixtrans-67.6-37.5175.2-66.5-42.7000111.4I812 L1084 L1085 L1090 N1091I812-D1088 HydrophobicContact CD1-CB 3.81Å; L1084-D1088 HydrophobicContact CB-CB 3.89Å; L1084-D1088 HydrophobicContact CD2-CB 4.02Å; L1084-D1088 HydrophobicContact CG-CB 4.38Å; L1085-D1088 WeakPolarHBondContact CB-OD2 3.28Å; L1085-D1088 PolarHBondContact N-OD2 2.86Å; L1085-D1088 WeakPolarHBondContact O-CA 3.24Å; L1085-D1088 VanDerWaalsContact O-CB 3.29Å; L1085-D1088 WeakPolarHBondContact O-CB 3.41Å; L1085-D1088 PolarHBondContact O-N 3.05Å; D1088-L1090 VanDerWaalsContact C-N 3.33Å; D1088-N1091 WeakPolarHBondContact CA-ND2 3.46Å; D1088-N1091 WeakPolarHBondContact O-CB 3.48Å; D1088-N1091 PolarHBondContact O-ND2 3.01Å
1089Q87.3Confident80.6Confident43 Ų4383.9 Ų83.920%0.20144%0.441CS..Hα-helixtrans-67.6-33178-63.9-71.1-4.800112.2K848 L1084 L1085 D1086 N1091 F1092K848-Q1089 PolarHBondContact O-NE2 3.24Å; L1084-Q1089 HydrophobicContact CB-CG 4.47Å; L1085-Q1089 WeakPolarHBondContact O-CG 3.45Å; L1085-Q1089 PolarHBondContact O-N 2.91Å; D1086-Q1089 PolarHBondContact O-N 2.75Å; Q1089-N1091 PolarHBondContact O-N 2.92Å; Q1089-F1092 PolarHBondContact O-N 3.26Å
1090L89.4Confident81.5Confident120 Ų12083.4 Ų83.463%0.62844%0.442SS*.Hα-helixtrans-58.9-29.8-178.8-169.464.8000112.8D1086 A1087 D1088 F1092 S1093D1086-L1090 PolarHBondContact O-N 2.81Å; D1086-L1090 VanDerWaalsContact O-N 3.11Å; A1087-L1090 PolarHBondContact O-N 2.78Å; D1088-L1090 VanDerWaalsContact C-N 3.33Å; L1090-F1092 PolarHBondContact O-N 3.47Å; L1090-F1092 VanDerWaalsContact O-N 3.12Å; L1090-S1093 VanDerWaalsContact O-CB 3.24Å; L1090-S1093 WeakPolarHBondContact O-CB 2.98Å; L1090-S1093 PolarHBondContact O-N 3.18Å; L1090-S1093 PolarHBondContact O-OG 3.06Å
1091N86.9Confident81.6Confident74 Ų7478.4 Ų78.440%0.39642%0.421SS..THydrogen-bonded Turntrans-56.7-23.1173.4-62.9-56.1000114V817 A1087 D1088 Q1089V817-N1091 HydrophobicContact CG1-CB 4.11Å; V817-N1091 HydrophobicContact CG2-CB 4.44Å; A1087-N1091 PolarHBondContact O-ND2 2.83Å; D1088-N1091 WeakPolarHBondContact CA-ND2 3.46Å; D1088-N1091 WeakPolarHBondContact O-CB 3.48Å; D1088-N1091 PolarHBondContact O-ND2 3.01Å; Q1089-N1091 PolarHBondContact O-N 2.92Å
1092F90.9Very high81.1Confident0 Ų077.8 Ų77.80%043%0.427CS..THydrogen-bonded Turntrans-105.56.7179.9-52.5-77.4000113.2K808 I811 I812 L820 Q846 V851 Q1089 L1090 N1094 F1095K808-F1092 HydrophobicContact CB-CD2 4.44Å; K808-F1092 HydrophobicContact CB-CE2 3.66Å; K808-F1092 HydrophobicContact CB-CZ 3.72Å; K808-F1092 HydrophobicContact CD-CD2 3.69Å; K808-F1092 HydrophobicContact CD-CE2 3.77Å; K808-F1092 HydrophobicContact CD-CG 4.21Å; K808-F1092 HydrophobicContact CD-CZ 4.37Å; K808-F1092 HydrophobicContact CG-CD1 4.39Å; K808-F1092 HydrophobicContact CG-CD2 3.94Å; K808-F1092 HydrophobicContact CG-CE1 4.11Å; K808-F1092 HydrophobicContact CG-CE2 3.61Å; K808-F1092 HydrophobicContact CG-CG 4.31Å; K808-F1092 HydrophobicContact CG-CZ 3.7Å; I811-F1092 HydrophobicContact CG2-CE1 4.41Å; I812-F1092 HydrophobicContact CD1-CE2 3.64Å; I812-F1092 HydrophobicContact CD1-CZ 3.97Å; I812-F1092 HydrophobicContact CG1-CE2 4.14Å; I812-F1092 HydrophobicContact CG1-CZ 3.99Å; L820-F1092 HydrophobicContact CD2-CD1 3.86Å; L820-F1092 HydrophobicContact CD2-CE1 3.75Å; Q846-F1092 PolarHBondContact NE2-O 2.91Å; V851-F1092 HydrophobicContact CG1-CD1 3.76Å; V851-F1092 HydrophobicContact CG1-CE1 4.24Å; V851-F1092 HydrophobicContact CG1-CG 4.27Å; Q1089-F1092 PolarHBondContact O-N 3.26Å; L1090-F1092 PolarHBondContact O-N 3.47Å; L1090-F1092 VanDerWaalsContact O-N 3.12Å; F1092-N1094 PolarHBondContact O-N 2.89Å; F1092-F1095 HydrophobicContact CB-CB 4.3Å; F1092-F1095 WeakPolarHBondContact O-CB 3.28Å; F1092-F1095 PolarHBondContact O-N 3.43Å
1093S86.4Confident81.9Confident68 Ų6876.5 Ų76.548%0.47642%0.415SS..THydrogen-bonded Turntrans-51.3-41.2-178.549.60000113.5L1090 F1095L1090-S1093 VanDerWaalsContact O-CB 3.24Å; L1090-S1093 WeakPolarHBondContact O-CB 2.98Å; L1090-S1093 PolarHBondContact O-N 3.18Å; L1090-S1093 PolarHBondContact O-OG 3.06Å; S1093-F1095 VanDerWaalsContact C-N 3.35Å; S1093-F1095 PolarHBondContact O-N 3.49Å
1094N86.6Confident82.5Confident130 Ų13074.1 Ų74.170%0.69540%0.395SS*.THydrogen-bonded Turntrans-9114.1179.2-62.9-26.9000113.8K824 F1092K824-N1094 PolarHBondContact NZ-O 3.23Å; F1092-N1094 PolarHBondContact O-N 2.89Å
1095F90.4Very high82.7Confident0 Ų076.1 Ų76.10%041%0.406CS..  trans-74.5-33.6-176.8-174.4-95.3000113.4L820 K824 C844 F845 Q846 V851 M852 F853 F1092 S1093L820-F1095 HydrophobicContact CD1-CE2 4.03Å; L820-F1095 HydrophobicContact CD2-CD2 3.85Å; L820-F1095 HydrophobicContact CD2-CE2 3.91Å; L820-F1095 HydrophobicContact CG-CD2 4.27Å; L820-F1095 HydrophobicContact CG-CE2 3.94Å; K824-F1095 WeakPolarHBondContact CD-O 3.29Å; K824-F1095 WeakPolarHBondContact CE-O 3.04Å; K824-F1095 PolarHBondContact NZ-O 3.15Å; C844-F1095 HydrophobicContact CB-CD1 4.05Å; C844-F1095 HydrophobicContact CB-CE1 3.61Å; C844-F1095 HydrophobicContact CB-CZ 3.96Å; C844-F1095 WeakPolarHBondContact CB-O 3.45Å; F845-F1095 WeakPolarHBondContact O-CE1 3.18Å; Q846-F1095 HydrophobicContact CB-CD1 4.33Å; V851-F1095 HydrophobicContact CB-CD1 3.99Å; V851-F1095 HydrophobicContact CB-CD2 4.36Å; V851-F1095 HydrophobicContact CB-CE1 3.66Å; V851-F1095 HydrophobicContact CB-CE2 4.07Å; V851-F1095 HydrophobicContact CB-CG 4.34Å; V851-F1095 HydrophobicContact CB-CZ 3.72Å; V851-F1095 HydrophobicContact CG1-CD1 3.97Å; V851-F1095 HydrophobicContact CG1-CD2 4.27Å; V851-F1095 HydrophobicContact CG1-CE1 4.18Å; V851-F1095 HydrophobicContact CG1-CE2 4.47Å; V851-F1095 HydrophobicContact CG1-CG 4.03Å; V851-F1095 HydrophobicContact CG1-CZ 4.44Å; V851-F1095 HydrophobicContact CG2-CE2 4.42Å; V851-F1095 HydrophobicContact CG2-CZ 4.32Å; M852-F1095 WeakPolarHBondContact O-CE1 3.33Å; F853-F1095 HydrophobicContact CD1-CZ 4.16Å; F853-F1095 HydrophobicContact CD2-CZ 4.29Å; F853-F1095 AromaticContact CE1-CE2 3.91Å; F853-F1095 HydrophobicContact CE1-CE2 3.91Å; F853-F1095 AromaticContact CE1-CZ 3.87Å; F853-F1095 HydrophobicContact CE1-CZ 3.87Å; F853-F1095 HydrophobicContact CE2-CE2 4.15Å; F853-F1095 HydrophobicContact CE2-CZ 4.03Å; F853-F1095 HydrophobicContact CG-CZ 4.37Å; F853-F1095 AromaticContact CZ-CE2 3.64Å; F853-F1095 HydrophobicContact CZ-CE2 3.64Å; F853-F1095 AromaticContact CZ-CZ 3.82Å; F853-F1095 HydrophobicContact CZ-CZ 3.82Å; F1092-F1095 HydrophobicContact CB-CB 4.3Å; F1092-F1095 WeakPolarHBondContact O-CB 3.28Å; F1092-F1095 PolarHBondContact O-N 3.43Å; S1093-F1095 VanDerWaalsContact C-N 3.35Å; S1093-F1095 PolarHBondContact O-N 3.49Å
1096D89.9Confident82.6Confident67 Ų6773.5 Ų73.536%0.35839%0.393SS..  trans-68.8147.1-173.8-69.922.3000112.4K824 C844 Q846K824-D1096 PolarHBondContact NZ-O 3.18Å; C844-D1096 CarbonylContact O-C 3.54Å; C844-D1096 VanDerWaalsContact O-CA 3.32Å; C844-D1096 WeakPolarHBondContact O-CA 3.25Å; Q846-D1096 WeakPolarHBondContact CG-OD1 3.49Å; Q846-D1096 PolarHBondContact N-OD1 3.48Å; Q846-D1096 PolarHBondContact NE2-OD1 3.43Å
1097Y89.4Confident82.5Confident48 Ų4868.8 Ų68.819%0.18837%0.367CS..EExtended strand (participates in β ladder)trans-164.5151.4-178.9167.3-106.9000110.4Q828 L841 A843 C844Q828-Y1097 HydrophobicContact CG-CD1 4.19Å; Q828-Y1097 HydrophobicContact CG-CD2 4.43Å; Q828-Y1097 HydrophobicContact CG-CE1 3.98Å; Q828-Y1097 HydrophobicContact CG-CE2 4.21Å; Q828-Y1097 HydrophobicContact CG-CG 4.41Å; Q828-Y1097 VanDerWaalsContact NE2-CE2 3.31Å; L841-Y1097 HydrophobicContact CD2-CD1 3.94Å; L841-Y1097 HydrophobicContact CD2-CE1 4.04Å; L841-Y1097 HydrophobicContact CG-CD1 4.4Å; L841-Y1097 HydrophobicContact CG-CE1 4.34Å; A843-Y1097 CarbonylContact C-O 3.57Å; A843-Y1097 VanDerWaalsContact CA-O 3.29Å; A843-Y1097 WeakPolarHBondContact CA-O 3.47Å; A843-Y1097 WeakPolarHBondContact CB-O 3.46Å; C844-Y1097 PolarHBondContact N-O 3.03Å; C844-Y1097 PolarHBondContact O-N 3.27Å
1098Y86.7Confident82.4Confident97 Ų9768.6 Ų68.638%0.3835%0.352SS..EExtended strand (participates in β ladder)trans-143.4126.1170.2-169.7-79.2000108.2L770 A843L770-Y1098 HydrophobicContact CD1-CE2 4.48Å; A843-Y1098 HydrophobicContact CB-CD2 3.93Å; A843-Y1098 HydrophobicContact CB-CE2 4.5Å
1099S81.9Confident82.1Confident1 Ų170.6 Ų70.61%0.00736%0.362CS..  trans-70.4143.9179.3-179.10000111.5T831 I842 L1101T831-S1099 VanDerWaalsContact CG2-OG 3.29Å; T831-S1099 WeakPolarHBondContact CG2-OG 3.39Å; I842-S1099 WeakPolarHBondContact O-CB 3.46Å; I842-S1099 PolarHBondContact O-N 3Å; S1099-L1101 PolarHBondContact OG-N 3.11Å; S1099-L1101 VanDerWaalsContact OG-N 3.13Å
1100H74.7Confident81.7Confident178 Ų17872.7 Ų72.782%0.82437%0.374SS*.SBendtrans-95.25.2172.4-61.5-27.9000112.9
1101L58.5Low81.1Confident82 Ų8268.8 Ų68.843%0.42935%0.353SS..  trans-110.83.7-171.1-59.5172.5000113.8Q834 S1099Q834-L1101 PolarHBondContact NE2-O 2.62Å; S1099-L1101 PolarHBondContact OG-N 3.11Å; S1099-L1101 VanDerWaalsContact OG-N 3.13Å
1102V50.6Low80.5Confident80 Ų8068.3 Ų68.349%0.48535%0.349SS..  trans-142.40-174.3-167.50000112.5K799 I842K799-V1102 PolarHBondContact NZ-O 3.39Å; I842-V1102 HydrophobicContact CG1-CB 4.14Å; I842-V1102 HydrophobicContact CG1-CG1 3.71Å; I842-V1102 HydrophobicContact CG1-CG2 4.43Å; I842-V1102 HydrophobicContact CG2-CB 4.48Å

Retrieved 1,102 of 1,102 residues in 1725.9 ms (Link to these results)

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