A0A5K4F7P4_SCHMA Loading...

DNA-directed RNA polymerase

AlphaFold DB , UniProt , Accession A0A5K4F7P4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,236 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
1M24.3Very low31.6Very low192 Ų192114.8 Ų114.895%0.94656%0.561SS**  0-670-81.3-174.5170.800114.5S4 H5M1-S4 WeakPolarHBondContact CA-OG 3.32Å; M1-S4 PolarHBondContact O-OG 3.46Å; M1-H5 PolarHBondContact O-CD2 3.05Å; M1-H5 PolarHBondContact O-N 2.92Å
2K25Very low32Very low192 Ų192115.8 Ų115.884%0.83556%0.56SS**Hα-helixtrans-69.6-31.1175.8-83-177178.31760113.7K6K2-K6 PolarHBondContact O-N 2.94Å
3L25.4Very low32.5Very low132 Ų132114.3 Ų114.369%0.69157%0.568SS**Hα-helixtrans-70.3-45.2173.7-86.2145000112.1H5 K6 N7L3-H5 PolarHBondContact O-N 3.21Å; L3-K6 PolarHBondContact O-N 3.3Å; L3-K6 VanDerWaalsContact O-N 3.15Å; L3-N7 PolarHBondContact O-N 2.75Å
4S33.6Very low33.2Very low58 Ų58112.6 Ų112.641%0.40657%0.573SS.*Hα-helixtrans-60.4-42.5176.255.40000112.6M1 K6 N7 V8M1-S4 WeakPolarHBondContact CA-OG 3.32Å; M1-S4 PolarHBondContact O-OG 3.46Å; S4-K6 PolarHBondContact O-N 3.17Å; S4-N7 PolarHBondContact O-N 2.95Å; S4-V8 WeakPolarHBondContact O-CB 3.19Å; S4-V8 WeakPolarHBondContact O-CG2 3.33Å; S4-V8 PolarHBondContact O-N 3.44Å
5H30.8Very low34.6Very low127 Ų127107 Ų10759%0.58855%0.548SS*.Hα-helixtrans-68.6-31.4174.8-81.4-58.4000114.4M1 L3 K9M1-H5 PolarHBondContact O-CD2 3.05Å; M1-H5 PolarHBondContact O-N 2.92Å; L3-H5 PolarHBondContact O-N 3.21Å; H5-K9 WeakPolarHBondContact O-CG 3.34Å; H5-K9 PolarHBondContact O-N 2.98Å
6K32.8Very low36.1Very low152 Ų152101.8 Ų101.866%0.66152%0.519SS*.Hα-helixtrans-70.3-43.7174.6-102.4-174.3172.7-1730111.3K2 L3 S4 K9 L10K2-K6 PolarHBondContact O-N 2.94Å; L3-K6 PolarHBondContact O-N 3.3Å; L3-K6 VanDerWaalsContact O-N 3.15Å; S4-K6 PolarHBondContact O-N 3.17Å; K6-K9 PolarHBondContact O-N 2.72Å; K6-L10 PolarHBondContact O-N 3.48Å
7N33.2Very low37.4Very low60 Ų6096.8 Ų96.832%0.32149%0.494SS..Hα-helixtrans-68-40.5179.6-67.3-0.1000111.4L3 S4 K9 L10 L11L3-N7 PolarHBondContact O-N 2.75Å; S4-N7 PolarHBondContact O-N 2.95Å; N7-K9 VanDerWaalsContact C-N 3.29Å; N7-K9 PolarHBondContact O-N 3.44Å; N7-L10 PolarHBondContact O-N 3.16Å; N7-L11 WeakPolarHBondContact O-CG 3.32Å; N7-L11 PolarHBondContact O-N 3.38Å
8V36.5Very low38.8Very low32 Ų3296.3 Ų96.319%0.19450%0.5CS..Hα-helixtrans-60.6-35.9172.31720000112S4 K12 L110S4-V8 WeakPolarHBondContact O-CB 3.19Å; S4-V8 WeakPolarHBondContact O-CG2 3.33Å; S4-V8 PolarHBondContact O-N 3.44Å; V8-K12 WeakPolarHBondContact O-CG 3.47Å; V8-K12 PolarHBondContact O-N 3.35Å; V8-L110 HydrophobicContact CG2-CD2 4.34Å
9K35.2Very low40.3Very low158 Ų15896.7 Ų96.769%0.68750%0.503SS*.Hα-helixtrans-70.6-38175.1-81-175.7178-175.40113.2H5 K6 N7 K12 S13H5-K9 WeakPolarHBondContact O-CG 3.34Å; H5-K9 PolarHBondContact O-N 2.98Å; K6-K9 PolarHBondContact O-N 2.72Å; N7-K9 VanDerWaalsContact C-N 3.29Å; N7-K9 PolarHBondContact O-N 3.44Å; K9-K12 PolarHBondContact O-N 3.33Å; K9-S13 PolarHBondContact O-N 2.82Å
10L33.2Very low42.1Very low116 Ų11693.4 Ų93.461%0.60748%0.484SS*.Hα-helixtrans-61.1-45.7173.7-99.3142.8000110.7K6 N7 K12 S13K6-L10 PolarHBondContact O-N 3.48Å; N7-L10 PolarHBondContact O-N 3.16Å; L10-K12 PolarHBondContact O-N 3.41Å; L10-S13 PolarHBondContact O-N 2.86Å; L10-S13 VanDerWaalsContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.95Å
11L37.6Very low43.9Very low44 Ų4490 Ų9023%0.2347%0.468CS..Hα-helixtrans-62.6-38.6175.2-71.5161.6000113.1N7 S13 S14 S15 N73 L110N7-L11 WeakPolarHBondContact O-CG 3.32Å; N7-L11 PolarHBondContact O-N 3.38Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.31Å; L11-S14 PolarHBondContact O-N 3.47Å; L11-S15 PolarHBondContact O-N 3.02Å; L11-S15 VanDerWaalsContact O-N 3.14Å; L11-N73 VanDerWaalsContact CD2-ND2 3.31Å; L11-N73 WeakPolarHBondContact CD2-ND2 3.39Å; L11-L110 HydrophobicContact CB-CD2 4.36Å; L11-L110 HydrophobicContact CD1-CD2 3.64Å
12K36.7Very low46.8Very low127 Ų12781.3 Ų81.355%0.55243%0.426SS*.Hα-helixtrans-63.1-31.2173.9-78-172.9179.9-168.10112.9V8 K9 L10 S14V8-K12 WeakPolarHBondContact O-CG 3.47Å; V8-K12 PolarHBondContact O-N 3.35Å; K9-K12 PolarHBondContact O-N 3.33Å; L10-K12 PolarHBondContact O-N 3.41Å; K12-S14 VanDerWaalsContact C-N 3.33Å; K12-S14 PolarHBondContact O-N 3.13Å
13S37.8Very low49.8Very low96 Ų9672.4 Ų72.467%0.67139%0.387SS*.Hα-helixtrans-75.3-20.2-176.474.90000114.2K9 L10 L11K9-S13 PolarHBondContact O-N 2.82Å; L10-S13 PolarHBondContact O-N 2.86Å; L10-S13 VanDerWaalsContact O-N 3.13Å; L10-S13 PolarHBondContact O-OG 2.95Å; L11-S13 VanDerWaalsContact C-N 3.28Å; L11-S13 PolarHBondContact O-N 3.31Å
14S43.2Very low52.7Low91 Ų9166.4 Ų66.464%0.63636%0.357SS*.THydrogen-bonded Turntrans-137.534.3-177.564.70000113.2L11 K12 R16L11-S14 PolarHBondContact O-N 3.47Å; K12-S14 VanDerWaalsContact C-N 3.33Å; K12-S14 PolarHBondContact O-N 3.13Å; S14-R16 PolarHBondContact O-N 2.68Å
15S53.4Low55.4Low28 Ų2863.7 Ų63.720%0.19634%0.338CS..  trans-66.9123.9-176.661.90000111.3L11 H17 S18L11-S15 PolarHBondContact O-N 3.02Å; L11-S15 VanDerWaalsContact O-N 3.14Å; S15-H17 PolarHBondContact O-N 3.4Å; S15-H17 VanDerWaalsContact O-N 3.08Å; S15-S18 WeakPolarHBondContact O-CB 3.18Å; S15-S18 PolarHBondContact O-N 3.35Å; S15-S18 PolarHBondContact O-OG 3.16Å
16R58.4Low58.2Low23 Ų2358.3 Ų58.39%0.08731%0.314CS..G310 helixtrans-51.6-29.7175.9-81.7-177.6164.6-142.3-22.8114.1S14 S18 L19 F20 F67 M72 E223S14-R16 PolarHBondContact O-N 2.68Å; R16-S18 PolarHBondContact O-N 3.04Å; R16-S18 VanDerWaalsContact O-N 3.15Å; R16-L19 HydrophobicContact CG-CD1 4.49Å; R16-L19 WeakPolarHBondContact O-CB 3.3Å; R16-L19 PolarHBondContact O-N 3.34Å; R16-F20 WeakPolarHBondContact O-CD2 3.37Å; R16-F67 PolarHBondContact NH1-O 3.07Å; R16-M72 PolarHBondContact NH2-SD 3.41Å; R16-E223 IonicContact CZ-OE2 2.69Å; R16-E223 IonicContact NH1-OE2 2.75Å; R16-E223 IonicContact NH2-OE1 2.85Å; R16-E223 IonicContact NH2-OE2 2.93Å; R16-E223 PolarHBondContact NH2-OE2 3.28Å
17H59.6Low61Low18 Ų1851.7 Ų51.78%0.08329%0.286CS..G310 helixtrans-51.5-37.5174.2178.3-102.3000111.9S15 L19 F20 P113 Y114 H117S15-H17 PolarHBondContact O-N 3.4Å; S15-H17 VanDerWaalsContact O-N 3.08Å; H17-L19 PolarHBondContact O-N 3.1Å; H17-F20 PolarHBondContact O-N 2.99Å; H17-P113 HydrophobicContact CB-CB 4.07Å; H17-P113 PolarHBondContact CD2-O 3.26Å; H17-P113 PolarHBondContact CE1-O 3.28Å; H17-P113 VanDerWaalsContact CG-O 3.24Å; H17-P113 PolarHBondContact ND1-O 3.35Å; H17-P113 PolarHBondContact NE2-O 2.8Å; H17-Y114 HydrophobicContact CB-CD1 3.99Å; H17-Y114 HydrophobicContact CB-CE1 3.75Å; H17-Y114 HydrophobicContact CB-CE2 4.36Å; H17-Y114 HydrophobicContact CB-CG 4.42Å; H17-H117 AromaticContact NE2-CE1 3.6Å; H17-H117 AromaticContact NE2-ND1 3.89Å
18S62.4Low63.8Low88 Ų8849.2 Ų49.262%0.61527%0.273SS*.G310 helixtrans-66.4-18.8178.466.80000114.6S15 R16S15-S18 WeakPolarHBondContact O-CB 3.18Å; S15-S18 PolarHBondContact O-N 3.35Å; S15-S18 PolarHBondContact O-OG 3.16Å; R16-S18 PolarHBondContact O-N 3.04Å; R16-S18 VanDerWaalsContact O-N 3.15Å
19L65.8Low66.5Low104 Ų10447.8 Ų47.855%0.54526%0.264SS..G310 helixtrans-83.8-23.4177.2-61.1171.3000112.4R16 H17R16-L19 HydrophobicContact CG-CD1 4.49Å; R16-L19 WeakPolarHBondContact O-CB 3.3Å; R16-L19 PolarHBondContact O-N 3.34Å; H17-L19 PolarHBondContact O-N 3.1Å
20F76.7Confident69.1Low29 Ų2941.8 Ų41.813%0.12724%0.238CC..SBendtrans-111.9156.7-176.1-60.5-65.6000110.9R16 H17 F67 P219 V220 E223R16-F20 WeakPolarHBondContact O-CD2 3.37Å; H17-F20 PolarHBondContact O-N 2.99Å; F20-F67 HydrophobicContact CB-CD2 4.03Å; F20-F67 HydrophobicContact CB-CE2 3.59Å; F20-F67 HydrophobicContact CB-CZ 3.89Å; F20-F67 HydrophobicContact CD2-CB 4.19Å; F20-F67 AromaticContact CD2-CD2 3.84Å; F20-F67 HydrophobicContact CD2-CD2 3.84Å; F20-F67 HydrophobicContact CD2-CE2 4.3Å; F20-F67 HydrophobicContact CD2-CG 4.05Å; F20-F67 HydrophobicContact CE2-CB 4.41Å; F20-F67 HydrophobicContact CG-CD2 4.27Å; F20-F67 HydrophobicContact CG-CE2 4.28Å; F20-P219 HydrophobicContact CD1-CB 4.08Å; F20-P219 HydrophobicContact CE1-CB 4.07Å; F20-V220 HydrophobicContact CD1-CG2 3.89Å; F20-V220 HydrophobicContact CD2-CG2 4.02Å; F20-V220 HydrophobicContact CE1-CB 4.18Å; F20-V220 HydrophobicContact CE1-CG2 3.73Å; F20-V220 HydrophobicContact CE2-CB 4.34Å; F20-V220 HydrophobicContact CE2-CG1 4.2Å; F20-V220 HydrophobicContact CE2-CG2 3.85Å; F20-V220 HydrophobicContact CG-CG2 4.04Å; F20-V220 HydrophobicContact CZ-CB 3.92Å; F20-V220 HydrophobicContact CZ-CG1 4.09Å; F20-V220 HydrophobicContact CZ-CG2 3.7Å; F20-E223 WeakPolarHBondContact CE2-OE2 3.45Å; F20-E223 HydrophobicContact CZ-CB 4.03Å; F20-E223 HydrophobicContact CZ-CG 4.48Å; F20-E223 WeakPolarHBondContact CZ-OE2 3.49Å
21S81.2Confident71.9Confident22 Ų2236.9 Ų36.915%0.15422%0.216CC..  trans-84155.6177.571.20000111.2Q23 A24 S25 E700S21-Q23 VanDerWaalsContact CB-OE1 3.28Å; S21-Q23 PolarHBondContact O-N 3.42Å; S21-Q23 PolarHBondContact OG-N 2.96Å; S21-A24 PolarHBondContact O-N 3.38Å; S21-A24 PolarHBondContact OG-N 3.25Å; S21-S25 PolarHBondContact O-N 3.37Å; S21-E700 WeakPolarHBondContact CB-OE1 3.28Å; S21-E700 PolarHBondContact OG-OE1 3.3Å
22T84.8Confident74.5Confident10 Ų1034.8 Ų34.86%0.06121%0.205CC..Hα-helixtrans-59.6-30.6169.654.40000110.6S25 L26 H117T22-S25 WeakPolarHBondContact O-CB 3.46Å; T22-S25 PolarHBondContact O-N 3.19Å; T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å; T22-H117 HydrophobicContact CG2-CB 4.01Å
23Q87Confident77.2Confident5 Ų529 Ų292%0.02318%0.179CC..Hα-helixtrans-69.1-37.4178.9-61.483.82600113.1S21 S25 L26 S27 L1021S21-Q23 VanDerWaalsContact CB-OE1 3.28Å; S21-Q23 PolarHBondContact O-N 3.42Å; S21-Q23 PolarHBondContact OG-N 2.96Å; Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 PolarHBondContact O-N 3.11Å; Q23-L26 PolarHBondContact O-N 2.91Å; Q23-S27 PolarHBondContact O-N 2.75Å; Q23-L1021 HydrophobicContact CB-CB 3.85Å; Q23-L1021 HydrophobicContact CG-CB 3.77Å
24A87.9Confident79.6Confident7 Ų730 Ų306%0.05817%0.169CC..Hα-helixtrans-61.6-38.3172.400000111.6S21 S27 R28 F67S21-A24 PolarHBondContact O-N 3.38Å; S21-A24 PolarHBondContact OG-N 3.25Å; A24-S27 PolarHBondContact O-N 2.77Å; A24-R28 PolarHBondContact O-N 2.8Å; A24-R28 VanDerWaalsContact O-N 3.11Å; A24-F67 HydrophobicContact CB-CZ 4.35Å
25S90.2Very high82Confident1 Ų126.2 Ų26.21%0.00714%0.141CC..Hα-helixtrans-65.1-44.1175.8-176.50000111.7S21 T22 Q23 S27 R28 L29 F67 Y114 H117 W118S21-S25 PolarHBondContact O-N 3.37Å; T22-S25 WeakPolarHBondContact O-CB 3.46Å; T22-S25 PolarHBondContact O-N 3.19Å; Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 PolarHBondContact O-N 3.11Å; S25-S27 VanDerWaalsContact C-N 3.33Å; S25-S27 PolarHBondContact O-N 2.89Å; S25-R28 PolarHBondContact O-N 2.84Å; S25-L29 PolarHBondContact O-N 3.48Å; S25-F67 VanDerWaalsContact CB-CZ 3.49Å; S25-Y114 PolarHBondContact OG-O 3.11Å; S25-H117 WeakPolarHBondContact CB-NE2 3.17Å; S25-H117 PolarHBondContact OG-NE2 3.37Å; S25-W118 PolarHBondContact OG-NE1 3.25Å
26L89.5Confident83.8Confident13 Ų1324.9 Ų24.97%0.06813%0.132CC..Hα-helixtrans-61.2-40.9175.6-67.3175.3000112.1T22 Q23 R28 L29 E30 P119T22-L26 WeakPolarHBondContact O-CG 3.49Å; T22-L26 PolarHBondContact O-N 3Å; Q23-L26 PolarHBondContact O-N 2.91Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 2.72Å; L26-L29 PolarHBondContact O-N 3.19Å; L26-E30 PolarHBondContact O-N 3.33Å; L26-P119 VanDerWaalsContact CD2-CD 3.44Å; L26-P119 HydrophobicContact CD2-CG 4.37Å
27S90Very high85.3Confident13 Ų1330.3 Ų30.39%0.09116%0.156CC..Hα-helixtrans-61.5-41.4175.7-177.30000112.1Q23 A24 S25 E30 G31 V703Q23-S27 PolarHBondContact O-N 2.75Å; A24-S27 PolarHBondContact O-N 2.77Å; S25-S27 VanDerWaalsContact C-N 3.33Å; S25-S27 PolarHBondContact O-N 2.89Å; S27-E30 PolarHBondContact O-N 2.83Å; S27-G31 PolarHBondContact O-N 3.08Å; S27-V703 WeakPolarHBondContact OG-CG1 3.39Å; S27-V703 PolarHBondContact OG-O 3.48Å
28R92.6Very high86.7Confident9 Ų934.2 Ų34.23%0.03418%0.177CC..Hα-helixtrans-62.6-45.7174.9-72.2-163.5167.5-167-16.6112.2A24 S25 L26 E30 G31 V32 Y64 L65 D218 V220A24-R28 PolarHBondContact O-N 2.8Å; A24-R28 VanDerWaalsContact O-N 3.11Å; S25-R28 PolarHBondContact O-N 2.84Å; L26-R28 VanDerWaalsContact C-N 3.34Å; L26-R28 PolarHBondContact O-N 2.72Å; R28-E30 VanDerWaalsContact C-N 3.32Å; R28-E30 PolarHBondContact O-N 2.66Å; R28-G31 PolarHBondContact O-N 2.78Å; R28-V32 PolarHBondContact O-N 3.27Å; R28-Y64 HydrophobicContact CB-CD1 4.36Å; R28-Y64 HydrophobicContact CB-CE1 3.65Å; R28-Y64 WeakPolarHBondContact CD-O 3.27Å; R28-Y64 HydrophobicContact CG-CE1 3.97Å; R28-Y64 HydrophobicContact CG-CE2 3.92Å; R28-Y64 PolarHBondContact NH1-O 3.06Å; R28-Y64 WeakPolarHBondContact O-CE1 3.27Å; R28-L65 HydrophobicContact CB-CD2 4.43Å; R28-D218 IonicContact CZ-OD1 2.72Å; R28-D218 IonicContact CZ-OD2 3.7Å; R28-D218 IonicContact NE-OD2 3.61Å; R28-D218 PolarHBondContact NE-OD2 3.32Å; R28-D218 IonicContact NH2-OD1 3.65Å; R28-D218 PolarHBondContact NH2-OD1 2.9Å; R28-D218 IonicContact NH2-OD2 3.81Å; R28-D218 PolarHBondContact NH2-OD2 3.29Å; R28-V220 VanDerWaalsContact NH2-CB 3.3Å
29L92.5Very high88Confident2 Ų234 Ų341%0.0116%0.163CC..Hα-helixtrans-59.2-43.4176.4179.164000111.6S25 L26 G31 V32 R33 L65 I94 V99 W118S25-L29 PolarHBondContact O-N 3.48Å; L26-L29 PolarHBondContact O-N 3.19Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.88Å; L29-V32 PolarHBondContact O-N 3Å; L29-V32 VanDerWaalsContact O-N 3.15Å; L29-R33 PolarHBondContact O-N 3.2Å; L29-L65 HydrophobicContact CB-CD2 4.38Å; L29-L65 HydrophobicContact CD1-CD2 4.39Å; L29-I94 HydrophobicContact CD1-CD1 4.08Å; L29-I94 HydrophobicContact CD1-CG1 4.27Å; L29-I94 HydrophobicContact CD1-CG2 3.89Å; L29-V99 HydrophobicContact CD1-CG2 3.95Å; L29-V99 HydrophobicContact CD2-CG2 3.95Å; L29-W118 HydrophobicContact CD2-CB 4.14Å; L29-W118 HydrophobicContact CD2-CD2 4Å; L29-W118 HydrophobicContact CD2-CG 3.81Å
30E90.6Very high89.2Confident31 Ų3134.5 Ų34.515%0.14517%0.167CC..Hα-helixtrans-67.1-33.1178.9-168.862.9-177.100112.4L26 S27 R28 V32 R33 R34 V707 T1028L26-E30 PolarHBondContact O-N 3.33Å; S27-E30 PolarHBondContact O-N 2.83Å; R28-E30 VanDerWaalsContact C-N 3.32Å; R28-E30 PolarHBondContact O-N 2.66Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 2.81Å; E30-R33 PolarHBondContact O-N 3.47Å; E30-R33 VanDerWaalsContact OE2-CD 3.3Å; E30-R33 WeakPolarHBondContact OE2-CD 3.31Å; E30-R33 IonicContact OE2-NH1 2.72Å; E30-R34 WeakPolarHBondContact O-CB 3.17Å; E30-R34 PolarHBondContact O-N 3.42Å; E30-V707 HydrophobicContact CB-CG2 4.13Å; E30-V707 HydrophobicContact CG-CG1 3.97Å; E30-V707 HydrophobicContact CG-CG2 3.68Å; E30-T1028 PolarHBondContact OE1-OG1 2.85Å
31G91.2Very high89.8Confident13 Ų1333.6 Ų33.613%0.13417%0.165CC..Hα-helixtrans-56.7-43.6169.900000112.7S27 R28 L29 R34 I35 L213S27-G31 PolarHBondContact O-N 3.08Å; R28-G31 PolarHBondContact O-N 2.78Å; L29-G31 VanDerWaalsContact C-N 3.31Å; L29-G31 PolarHBondContact O-N 2.88Å; G31-R34 PolarHBondContact O-N 3.16Å; G31-I35 PolarHBondContact O-N 2.78Å; G31-L213 VanDerWaalsContact C-CD2 3.43Å
32V93.3Very high90.2Very high0 Ų035.6 Ų35.60%017%0.174CC..Hα-helixtrans-69.1-42.7177.2177.20000111.3R28 L29 E30 R34 I35 M36 F44 Y64 L65 I94 L213R28-V32 PolarHBondContact O-N 3.27Å; L29-V32 PolarHBondContact O-N 3Å; L29-V32 VanDerWaalsContact O-N 3.15Å; E30-V32 VanDerWaalsContact C-N 3.31Å; E30-V32 PolarHBondContact O-N 2.81Å; V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 2.85Å; V32-I35 WeakPolarHBondContact O-CB 3.31Å; V32-I35 PolarHBondContact O-N 3.37Å; V32-M36 PolarHBondContact O-N 3Å; V32-F44 HydrophobicContact CG1-CB 4.39Å; V32-F44 HydrophobicContact CG1-CD1 3.84Å; V32-F44 HydrophobicContact CG1-CD2 3.65Å; V32-F44 HydrophobicContact CG1-CE1 3.97Å; V32-F44 HydrophobicContact CG1-CE2 3.77Å; V32-F44 HydrophobicContact CG1-CG 3.71Å; V32-F44 HydrophobicContact CG1-CZ 3.95Å; V32-Y64 HydrophobicContact CG2-CD1 4.29Å; V32-Y64 HydrophobicContact CG2-CE1 4.15Å; V32-L65 HydrophobicContact CG2-CD2 3.94Å; V32-L65 HydrophobicContact CG2-CG 4.38Å; V32-I94 HydrophobicContact CG1-CD1 3.89Å; V32-L213 HydrophobicContact CG2-CD2 4.04Å
33R92.3Very high90.6Very high6 Ų635.1 Ų35.12%0.02317%0.172CC..Hα-helixtrans-59.9-36.8174.8-75.5177.1166.2165.3-1.1112.5L29 E30 M36 K37 I94 R95 L96L29-R33 PolarHBondContact O-N 3.2Å; E30-R33 PolarHBondContact O-N 3.47Å; E30-R33 VanDerWaalsContact OE2-CD 3.3Å; E30-R33 WeakPolarHBondContact OE2-CD 3.31Å; E30-R33 IonicContact OE2-NH1 2.72Å; R33-M36 WeakPolarHBondContact O-CB 3.33Å; R33-M36 PolarHBondContact O-N 2.83Å; R33-K37 WeakPolarHBondContact O-CB 3.45Å; R33-K37 PolarHBondContact O-N 2.81Å; R33-I94 HydrophobicContact CG-CG2 3.84Å; R33-R95 PolarHBondContact NE-O 3.02Å; R33-L96 HydrophobicContact CB-CD2 4.31Å
34R89.8Confident91Very high118 Ų11834.9 Ų34.945%0.44517%0.17SC..Hα-helixtrans-65.2-43.9176.1-176.2174.8171.8176.6-1.4112E30 G31 V32 M36 K37 D38E30-R34 WeakPolarHBondContact O-CB 3.17Å; E30-R34 PolarHBondContact O-N 3.42Å; G31-R34 PolarHBondContact O-N 3.16Å; V32-R34 VanDerWaalsContact C-N 3.26Å; V32-R34 PolarHBondContact O-N 2.85Å; R34-M36 VanDerWaalsContact C-N 3.28Å; R34-M36 PolarHBondContact O-N 2.87Å; R34-K37 WeakPolarHBondContact O-CB 3.36Å; R34-K37 PolarHBondContact O-N 2.78Å; R34-K37 VanDerWaalsContact O-N 3.14Å; R34-D38 PolarHBondContact O-N 2.91Å
35I91.8Very high91.3Very high10 Ų1034.6 Ų34.65%0.05117%0.168CC..Hα-helixtrans-55.5-49.4172.5-65.5171.1000109.5G31 V32 K37 D38 Y39 F44 V206 N209 L213G31-I35 PolarHBondContact O-N 2.78Å; V32-I35 WeakPolarHBondContact O-CB 3.31Å; V32-I35 PolarHBondContact O-N 3.37Å; I35-K37 VanDerWaalsContact C-N 3.29Å; I35-K37 PolarHBondContact O-N 2.96Å; I35-D38 PolarHBondContact O-N 3.44Å; I35-Y39 HydrophobicContact CG2-CD2 4.26Å; I35-Y39 HydrophobicContact CG2-CE2 4.39Å; I35-Y39 WeakPolarHBondContact O-CD2 3.35Å; I35-Y39 PolarHBondContact O-N 2.77Å; I35-F44 HydrophobicContact CG2-CE2 4.4Å; I35-V206 HydrophobicContact CG2-CB 3.84Å; I35-V206 HydrophobicContact CG2-CG1 4.01Å; I35-V206 HydrophobicContact CG2-CG2 4.05Å; I35-N209 HydrophobicContact CD1-CB 4.15Å; I35-N209 HydrophobicContact CG1-CB 4.18Å; I35-N209 HydrophobicContact CG2-CB 3.95Å; I35-L213 HydrophobicContact CD1-CB 3.99Å; I35-L213 HydrophobicContact CD1-CD2 3.67Å; I35-L213 HydrophobicContact CD1-CG 4.45Å
36M91.9Very high91.5Very high1 Ų134.6 Ų34.61%0.00517%0.168CC..Hα-helixtrans-57.5-43178.4-169.8-170.371.500112.2V32 R33 R34 Y39 N40 G41 I43 F44 L96 V156V32-M36 PolarHBondContact O-N 3Å; R33-M36 WeakPolarHBondContact O-CB 3.33Å; R33-M36 PolarHBondContact O-N 2.83Å; R34-M36 VanDerWaalsContact C-N 3.28Å; R34-M36 PolarHBondContact O-N 2.87Å; M36-Y39 PolarHBondContact O-N 2.8Å; M36-N40 PolarHBondContact O-N 2.85Å; M36-G41 WeakPolarHBondContact CG-O 3.33Å; M36-G41 PolarHBondContact O-N 3.47Å; M36-I43 VanDerWaalsContact SD-C 3.57Å; M36-I43 VanDerWaalsContact SD-CA 3.5Å; M36-F44 HydrophobicContact CB-CB 4.36Å; M36-F44 HydrophobicContact CG-CB 4.28Å; M36-F44 HydrophobicContact SD-CB 4.09Å; M36-F44 PolarHBondContact SD-N 3.22Å; M36-F44 VanDerWaalsContact SD-N 3.42Å; M36-L96 HydrophobicContact CE-CB 4.29Å; M36-L96 HydrophobicContact CE-CD2 3.48Å; M36-L96 VanDerWaalsContact CE-CD2 3.48Å; M36-L96 HydrophobicContact CE-CG 3.44Å; M36-L96 VanDerWaalsContact CE-CG 3.44Å; M36-V156 HydrophobicContact CG-CG2 4.39Å
37K89.5Confident91.6Very high136 Ų13634 Ų3459%0.59117%0.165SC*.Hα-helixtrans-64-42.1177-170.4179.3179.2179.20112.7R33 R34 I35 Y39 N40 L96R33-K37 WeakPolarHBondContact O-CB 3.45Å; R33-K37 PolarHBondContact O-N 2.81Å; R34-K37 WeakPolarHBondContact O-CB 3.36Å; R34-K37 PolarHBondContact O-N 2.78Å; R34-K37 VanDerWaalsContact O-N 3.14Å; I35-K37 VanDerWaalsContact C-N 3.29Å; I35-K37 PolarHBondContact O-N 2.96Å; K37-Y39 PolarHBondContact O-N 3.2Å; K37-N40 PolarHBondContact O-N 2.81Å; K37-N40 PolarHBondContact O-OD1 3.37Å; K37-L96 HydrophobicContact CB-CD2 4.29Å
38D90.3Very high91.7Very high100 Ų10034 Ų3454%0.53516%0.164SC..Hα-helixtrans-62.1-29.8-178.8-68.4-18000111.7R34 I35R34-D38 PolarHBondContact O-N 2.91Å; I35-D38 PolarHBondContact O-N 3.44Å
39Y90.2Very high91.4Very high83 Ų8334 Ų3433%0.32517%0.166SC..THydrogen-bonded Turntrans-934.4175.4-74.8-86.8000114.3I35 M36 K37 G41 I204 V206 N209I35-Y39 HydrophobicContact CG2-CD2 4.26Å; I35-Y39 HydrophobicContact CG2-CE2 4.39Å; I35-Y39 WeakPolarHBondContact O-CD2 3.35Å; I35-Y39 PolarHBondContact O-N 2.77Å; M36-Y39 PolarHBondContact O-N 2.8Å; K37-Y39 PolarHBondContact O-N 3.2Å; Y39-G41 PolarHBondContact O-N 2.99Å; Y39-I204 HydrophobicContact CD1-CG2 3.74Å; Y39-I204 HydrophobicContact CE1-CG2 4.24Å; Y39-I204 HydrophobicContact CG-CG2 4.32Å; Y39-V206 HydrophobicContact CD1-CG1 4.47Å; Y39-V206 HydrophobicContact CD2-CG1 3.66Å; Y39-V206 HydrophobicContact CE2-CG1 3.77Å; Y39-V206 HydrophobicContact CG-CG1 4.06Å; Y39-N209 HydrophobicContact CE2-CB 4.46Å; Y39-N209 PolarHBondContact OH-ND2 3.41Å; Y39-N209 PolarHBondContact OH-OD1 3.42Å
40N90Very high91.2Very high116 Ų11637.4 Ų37.462%0.6219%0.187SC*.THydrogen-bonded Turntrans48.639.5-169.1-65.5-34.9000112M36 K37 R154M36-N40 PolarHBondContact O-N 2.85Å; K37-N40 PolarHBondContact O-N 2.81Å; K37-N40 PolarHBondContact O-OD1 3.37Å; N40-R154 WeakPolarHBondContact O-CD 3.42Å
41G88.8Confident91.1Very high9 Ų936.5 Ų36.59%0.09318%0.184CC..  trans-76.1139.9175.200000111.1M36 Y39M36-G41 WeakPolarHBondContact CG-O 3.33Å; M36-G41 PolarHBondContact O-N 3.47Å; Y39-G41 PolarHBondContact O-N 2.99Å
42D90.3Very high91Very high64 Ų6436 Ų3634%0.34218%0.178SC..SBendtrans-77-35.4175.9-60.4-37.9000110.9F152 K153 R154D42-F152 HydrophobicContact CB-CB 3.95Å; D42-F152 HydrophobicContact CB-CD1 3.65Å; D42-F152 HydrophobicContact CB-CG 4.03Å; D42-K153 PolarHBondContact OD2-N 3.07Å; D42-R154 WeakPolarHBondContact CB-O 3.47Å; D42-R154 PolarHBondContact N-O 3.17Å; D42-R154 PolarHBondContact OD2-N 3.25Å
43I92.4Very high90.7Very high0 Ų041.7 Ų41.70%021%0.206CC..EExtended strand (participates in β ladder)trans-152.8141.4-173.9-166.7164.6000111.7M36 V45 C93 R95 T148 L149 F152 I155 V156M36-I43 VanDerWaalsContact SD-C 3.57Å; M36-I43 VanDerWaalsContact SD-CA 3.5Å; I43-V45 HydrophobicContact CG1-CG2 4.22Å; I43-V45 HydrophobicContact CG2-CG2 4.13Å; I43-C93 HydrophobicContact CD1-CB 3.7Å; I43-C93 HydrophobicContact CG1-CB 4.28Å; I43-R95 HydrophobicContact CB-CG 4.4Å; I43-R95 HydrophobicContact CD1-CG 4.11Å; I43-R95 HydrophobicContact CG1-CG 3.99Å; I43-T148 HydrophobicContact CD1-CG2 3.95Å; I43-L149 HydrophobicContact CD1-CD2 3.84Å; I43-L149 HydrophobicContact CG2-CD2 3.85Å; I43-F152 HydrophobicContact CB-CD2 4.41Å; I43-F152 HydrophobicContact CD1-CD2 4.1Å; I43-F152 HydrophobicContact CD1-CE2 4.16Å; I43-F152 HydrophobicContact CG2-CB 4.23Å; I43-F152 HydrophobicContact CG2-CD2 4.29Å; I43-F152 HydrophobicContact CG2-CG 4.39Å; I43-I155 HydrophobicContact CG2-CB 4.34Å; I43-I155 HydrophobicContact CG2-CG1 3.87Å; I43-I155 HydrophobicContact CG2-CG2 4.2Å; I43-V156 PolarHBondContact O-N 2.98Å
44F95.1Very high90.4Very high0 Ų047 Ų470%023%0.229CC..EExtended strand (participates in β ladder)trans-103.7119.7172.7-170-67.3000109.2V32 I35 M36 I46 A61 C93 I94 V156 P158 V206V32-F44 HydrophobicContact CG1-CB 4.39Å; V32-F44 HydrophobicContact CG1-CD1 3.84Å; V32-F44 HydrophobicContact CG1-CD2 3.65Å; V32-F44 HydrophobicContact CG1-CE1 3.97Å; V32-F44 HydrophobicContact CG1-CE2 3.77Å; V32-F44 HydrophobicContact CG1-CG 3.71Å; V32-F44 HydrophobicContact CG1-CZ 3.95Å; I35-F44 HydrophobicContact CG2-CE2 4.4Å; M36-F44 HydrophobicContact CB-CB 4.36Å; M36-F44 HydrophobicContact CG-CB 4.28Å; M36-F44 HydrophobicContact SD-CB 4.09Å; M36-F44 PolarHBondContact SD-N 3.22Å; M36-F44 VanDerWaalsContact SD-N 3.42Å; F44-I46 HydrophobicContact CD1-CD1 4.21Å; F44-I46 HydrophobicContact CD1-CG1 3.87Å; F44-I46 HydrophobicContact CE1-CD1 3.9Å; F44-I46 HydrophobicContact CE1-CG1 3.57Å; F44-A61 HydrophobicContact CE1-CB 4.42Å; F44-C93 CarbonylContact O-C 3.18Å; F44-C93 WeakPolarHBondContact O-CA 3.19Å; F44-I94 HydrophobicContact CB-CB 4.23Å; F44-I94 PolarHBondContact N-O 2.85Å; F44-I94 PolarHBondContact O-N 2.76Å; F44-V156 CarbonylContact C-O 3.6Å; F44-V156 WeakPolarHBondContact CA-O 3.34Å; F44-V156 HydrophobicContact CD2-CB 4.27Å; F44-V156 HydrophobicContact CD2-CG1 3.54Å; F44-V156 HydrophobicContact CE2-CG1 3.93Å; F44-V156 HydrophobicContact CG-CG1 4.29Å; F44-P158 HydrophobicContact CE1-CG 3.8Å; F44-P158 HydrophobicContact CZ-CB 4.17Å; F44-P158 HydrophobicContact CZ-CG 3.83Å; F44-V206 HydrophobicContact CD2-CG2 4.3Å; F44-V206 HydrophobicContact CE2-CG2 3.53Å; F44-V206 HydrophobicContact CZ-CG2 4.07Å
45V94.8Very high90.2Very high2 Ų242.1 Ų42.11%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-113.1130.5-172.6179.10000110.5I43 I47 L92 F145 L149 I155 V156 I157 P158I43-V45 HydrophobicContact CG1-CG2 4.22Å; I43-V45 HydrophobicContact CG2-CG2 4.13Å; V45-I47 HydrophobicContact CG1-CD1 4.01Å; V45-I47 HydrophobicContact CG1-CG1 3.91Å; V45-L92 CarbonylContact C-O 3.59Å; V45-L92 WeakPolarHBondContact CA-O 3.29Å; V45-F145 HydrophobicContact CG1-CE2 4.14Å; V45-L149 HydrophobicContact CG2-CD2 4.01Å; V45-I155 HydrophobicContact CB-CG2 4.2Å; V45-I155 HydrophobicContact CG2-CG2 3.66Å; V45-V156 PolarHBondContact N-O 3.38Å; V45-I157 HydrophobicContact CB-CG1 4.25Å; V45-P158 VanDerWaalsContact O-CD 3.27Å; V45-P158 WeakPolarHBondContact O-CD 3.46Å
46I94.1Very high89.8Confident1 Ų147 Ų471%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-124.3122.2175.7-57.9167.6000106.8F44 L48 S58 A61 A62 L65 F91 L92 I94F44-I46 HydrophobicContact CD1-CD1 4.21Å; F44-I46 HydrophobicContact CD1-CG1 3.87Å; F44-I46 HydrophobicContact CE1-CD1 3.9Å; F44-I46 HydrophobicContact CE1-CG1 3.57Å; I46-L48 HydrophobicContact CG2-CD2 4.17Å; I46-L48 HydrophobicContact CG2-CG 4.46Å; I46-S58 WeakPolarHBondContact CG2-O 3.42Å; I46-A61 HydrophobicContact CD1-CB 3.6Å; I46-A61 HydrophobicContact CG1-CB 3.87Å; I46-A61 HydrophobicContact CG2-CB 4.43Å; I46-A62 HydrophobicContact CG2-CB 4.21Å; I46-L65 HydrophobicContact CD1-CD1 3.8Å; I46-F91 CarbonylContact O-C 3.54Å; I46-F91 WeakPolarHBondContact O-CA 3.49Å; I46-F91 WeakPolarHBondContact O-CB 3.45Å; I46-L92 HydrophobicContact CB-CB 4.13Å; I46-L92 HydrophobicContact CD1-CB 4.3Å; I46-L92 HydrophobicContact CD1-CD1 4.38Å; I46-L92 PolarHBondContact N-O 2.92Å; I46-L92 PolarHBondContact O-N 2.85Å; I46-I94 HydrophobicContact CD1-CD1 4.15Å
47I93Very high89.6Confident1 Ų147 Ų471%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-122.4127176.3-59.9163000107.4V45 D51 S52 S58 F91 F145 W178 L180V45-I47 HydrophobicContact CG1-CD1 4.01Å; V45-I47 HydrophobicContact CG1-CG1 3.91Å; I47-D51 HydrophobicContact CG2-CB 3.56Å; I47-S52 WeakPolarHBondContact O-CB 3.47Å; I47-S52 PolarHBondContact O-OG 3.24Å; I47-S58 WeakPolarHBondContact O-CB 3.45Å; I47-F91 HydrophobicContact CB-CB 4.45Å; I47-F91 HydrophobicContact CG1-CB 4Å; I47-F145 HydrophobicContact CD1-CE2 3.83Å; I47-F145 HydrophobicContact CD1-CZ 3.84Å; I47-F145 HydrophobicContact CG1-CE2 4.29Å; I47-W178 HydrophobicContact CB-CZ3 4.49Å; I47-W178 HydrophobicContact CD1-CE3 3.91Å; I47-W178 HydrophobicContact CD1-CZ3 4Å; I47-L180 HydrophobicContact CD1-CD2 4.07Å; I47-L180 HydrophobicContact CG1-CD2 4.22Å; I47-L180 HydrophobicContact CG2-CD2 4.02Å
48L90.5Very high89.6Confident11 Ų1140.5 Ų40.56%0.05820%0.202CC..  trans-99.9171.9-177.6-62.6-178.6000112.2I46 M59 A62 E88 I90I46-L48 HydrophobicContact CG2-CD2 4.17Å; I46-L48 HydrophobicContact CG2-CG 4.46Å; L48-M59 HydrophobicContact CD2-CB 4.36Å; L48-A62 HydrophobicContact CD1-CB 3.77Å; L48-A62 HydrophobicContact CD2-CB 3.79Å; L48-A62 HydrophobicContact CG-CB 4.27Å; L48-E88 CarbonylContact C-O 3.53Å; L48-E88 VanDerWaalsContact C-O 3.23Å; L48-I90 HydrophobicContact CB-CB 4.47Å; L48-I90 WeakPolarHBondContact CB-O 3.45Å; L48-I90 HydrophobicContact CD1-CB 4Å; L48-I90 HydrophobicContact CD1-CD1 4.49Å; L48-I90 HydrophobicContact CD1-CG2 4.18Å; L48-I90 PolarHBondContact N-O 2.63Å
49G87.8Confident89.4Confident9 Ų940.7 Ų40.79%0.09320%0.201CC..G310 helixtrans62.9-151.8171.100000115.4D51 S52 F54G49-D51 PolarHBondContact O-N 3.47Å; G49-S52 PolarHBondContact O-N 2.81Å; G49-S52 PolarHBondContact O-OG 2.95Å; G49-F54 WeakPolarHBondContact O-CA 3.4Å; G49-F54 PolarHBondContact O-N 2.66Å
50V87.2Confident89.3Confident75 Ų7538.7 Ų38.746%0.45519%0.194SC..G310 helixtrans-60.7-31.6179.7-179.30000111.9S52 M53 F54 P179V50-S52 PolarHBondContact O-N 2.91Å; V50-S52 VanDerWaalsContact O-N 3.14Å; V50-M53 PolarHBondContact O-N 3.23Å; V50-F54 HydrophobicContact CB-CZ 4.43Å; V50-F54 HydrophobicContact CG2-CE1 4.26Å; V50-F54 HydrophobicContact CG2-CE2 3.85Å; V50-F54 HydrophobicContact CG2-CZ 3.45Å; V50-F54 VanDerWaalsContact CG2-CZ 3.45Å; V50-P179 WeakPolarHBondContact O-CG 3.12Å
51D89.9Confident89.3Confident12 Ų1233.1 Ų33.16%0.06416%0.164CC..G310 helixtrans-60.7-25.1-177.8-80.4-17.8000114I47 G49 K141 P179 L180I47-D51 HydrophobicContact CG2-CB 3.56Å; G49-D51 PolarHBondContact O-N 3.47Å; D51-K141 IonicContact OD1-NZ 2.9Å; D51-K141 PolarHBondContact OD1-NZ 2.86Å; D51-K141 WeakPolarHBondContact OD2-CD 3.49Å; D51-K141 WeakPolarHBondContact OD2-CE 3.37Å; D51-K141 IonicContact OD2-NZ 3.21Å; D51-K141 PolarHBondContact OD2-NZ 2.74Å; D51-P179 WeakPolarHBondContact O-CD 3.48Å; D51-L180 HydrophobicContact CB-CB 3.99Å; D51-L180 PolarHBondContact O-N 2.91Å
52S89.1Confident89.4Confident1 Ų132.7 Ų32.71%0.00716%0.16CC..G310 helixtrans-111.115.517367.80000113.8I47 G49 V50 F54 N55 W178I47-S52 WeakPolarHBondContact O-CB 3.47Å; I47-S52 PolarHBondContact O-OG 3.24Å; G49-S52 PolarHBondContact O-N 2.81Å; G49-S52 PolarHBondContact O-OG 2.95Å; V50-S52 PolarHBondContact O-N 2.91Å; V50-S52 VanDerWaalsContact O-N 3.14Å; S52-F54 PolarHBondContact O-N 2.69Å; S52-N55 WeakPolarHBondContact O-CB 3.34Å; S52-N55 PolarHBondContact O-N 2.98Å; S52-N55 PolarHBondContact OG-N 2.94Å; S52-W178 PolarHBondContact O-NE1 2.88Å
53M86.6Confident89.2Confident121 Ų12129.9 Ų29.960%0.59615%0.145SC*.THydrogen-bonded Turntrans54.340.5-171.1-62.8-72.5-74.300112V50 N55 P179V50-M53 PolarHBondContact O-N 3.23Å; M53-N55 PolarHBondContact O-N 2.94Å; M53-P179 HydrophobicContact SD-CG 4.28Å
54F84.6Confident89.1Confident117 Ų11730.6 Ų30.651%0.51315%0.148SC..SBendtrans56.247.4-176.2-56.3-81.9000112.8G49 V50 S52 R56 E88G49-F54 WeakPolarHBondContact O-CA 3.4Å; G49-F54 PolarHBondContact O-N 2.66Å; V50-F54 HydrophobicContact CB-CZ 4.43Å; V50-F54 HydrophobicContact CG2-CE1 4.26Å; V50-F54 HydrophobicContact CG2-CE2 3.85Å; V50-F54 HydrophobicContact CG2-CZ 3.45Å; V50-F54 VanDerWaalsContact CG2-CZ 3.45Å; S52-F54 PolarHBondContact O-N 2.69Å; F54-R56 PolarHBondContact O-N 2.87Å; F54-R56 VanDerWaalsContact O-N 3.1Å; F54-E88 WeakPolarHBondContact CE1-OE1 3.15Å
55N87.1Confident89Confident15 Ų1530.6 Ų30.68%0.0815%0.148CC..  trans-60.6118.5-178.9178.9-95.4000111.3S52 M53 G57 S58 M59 P158 Y159 W178S52-N55 WeakPolarHBondContact O-CB 3.34Å; S52-N55 PolarHBondContact O-N 2.98Å; S52-N55 PolarHBondContact OG-N 2.94Å; M53-N55 PolarHBondContact O-N 2.94Å; N55-G57 PolarHBondContact O-N 3.45Å; N55-G57 PolarHBondContact OD1-N 2.88Å; N55-S58 PolarHBondContact O-N 3.09Å; N55-S58 WeakPolarHBondContact OD1-CB 3.48Å; N55-S58 PolarHBondContact OD1-N 3.06Å; N55-S58 PolarHBondContact OD1-OG 3.07Å; N55-S58 VanDerWaalsContact OD1-OG 3.12Å; N55-M59 PolarHBondContact O-N 3.08Å; N55-P158 PolarHBondContact OD1-O 2.98Å; N55-Y159 PolarHBondContact ND2-O 3.09Å; N55-W178 HydrophobicContact CB-CH2 4.04Å; N55-W178 HydrophobicContact CB-CZ2 3.58Å
56R83.8Confident88.7Confident112 Ų11230.7 Ų30.742%0.42315%0.148SC..Hα-helixtrans-65.9-36.3-176-67.8-173.8178.2-168.9-0.1113.3F54 M59 K60 D161F54-R56 PolarHBondContact O-N 2.87Å; F54-R56 VanDerWaalsContact O-N 3.1Å; R56-M59 PolarHBondContact O-N 3Å; R56-K60 VanDerWaalsContact O-CB 3.31Å; R56-K60 WeakPolarHBondContact O-CB 3.49Å; R56-K60 PolarHBondContact O-N 3.28Å; R56-D161 HydrophobicContact CB-CB 3.59Å
57G86.6Confident88.3Confident1 Ų130.7 Ų30.71%0.0115%0.148CC..Hα-helixtrans-64-43.2178.200000111.9N55 K60 A61 P158N55-G57 PolarHBondContact O-N 3.45Å; N55-G57 PolarHBondContact OD1-N 2.88Å; G57-K60 WeakPolarHBondContact O-CB 3.45Å; G57-K60 PolarHBondContact O-N 2.92Å; G57-A61 PolarHBondContact O-N 2.5Å; G57-P158 CarbonylContact C-O 3.56Å; G57-P158 VanDerWaalsContact C-O 3.27Å; G57-P158 VanDerWaalsContact CA-O 3.25Å; G57-P158 WeakPolarHBondContact CA-O 3.27Å
58S89.3Confident87.5Confident0 Ų031.5 Ų31.50%015%0.152CC..Hα-helixtrans-63.4-45.6173.8-65.50000111.8I46 I47 N55 K60 A61 A62 P158I46-S58 WeakPolarHBondContact CG2-O 3.42Å; I47-S58 WeakPolarHBondContact O-CB 3.45Å; N55-S58 PolarHBondContact O-N 3.09Å; N55-S58 WeakPolarHBondContact OD1-CB 3.48Å; N55-S58 PolarHBondContact OD1-N 3.06Å; N55-S58 PolarHBondContact OD1-OG 3.07Å; N55-S58 VanDerWaalsContact OD1-OG 3.12Å; S58-K60 VanDerWaalsContact C-N 3.28Å; S58-K60 PolarHBondContact O-N 2.96Å; S58-A61 WeakPolarHBondContact O-CB 3.42Å; S58-A61 PolarHBondContact O-N 3.18Å; S58-A62 PolarHBondContact O-N 3.29Å; S58-P158 PolarHBondContact N-O 3.43Å
59M87Confident86.5Confident104 Ų10432 Ų3251%0.51216%0.158SC..Hα-helixtrans-60.7-37.9175.1-171.4175.966.500112.3L48 N55 R56 S63L48-M59 HydrophobicContact CD2-CB 4.36Å; N55-M59 PolarHBondContact O-N 3.08Å; R56-M59 PolarHBondContact O-N 3Å; M59-S63 VanDerWaalsContact O-CB 3.29Å; M59-S63 WeakPolarHBondContact O-CB 3.35Å; M59-S63 PolarHBondContact O-N 2.83Å; M59-S63 PolarHBondContact O-OG 3.38Å
60K86.7Confident85.3Confident41 Ų4133 Ų3318%0.17816%0.16CC..Hα-helixtrans-67.6-40.8175.6-170.1172.6-176.5175.70111.8R56 G57 S58 S63 Y64 D161 T214R56-K60 VanDerWaalsContact O-CB 3.31Å; R56-K60 WeakPolarHBondContact O-CB 3.49Å; R56-K60 PolarHBondContact O-N 3.28Å; G57-K60 WeakPolarHBondContact O-CB 3.45Å; G57-K60 PolarHBondContact O-N 2.92Å; S58-K60 VanDerWaalsContact C-N 3.28Å; S58-K60 PolarHBondContact O-N 2.96Å; K60-S63 PolarHBondContact O-N 2.82Å; K60-Y64 WeakPolarHBondContact O-CB 3.28Å; K60-Y64 PolarHBondContact O-N 3.16Å; K60-D161 IonicContact NZ-OD1 3.83Å; K60-T214 VanDerWaalsContact CE-OG1 3.24Å; K60-T214 WeakPolarHBondContact CE-OG1 3.36Å; K60-T214 HydrophobicContact CG-CG2 4.35Å
61A90.6Very high83.9Confident0 Ų034.1 Ų34.10%016%0.158CC..Hα-helixtrans-62.8-47.7175.800000111.8F44 I46 G57 S58 Y64 L65 P158 L210F44-A61 HydrophobicContact CE1-CB 4.42Å; I46-A61 HydrophobicContact CD1-CB 3.6Å; I46-A61 HydrophobicContact CG1-CB 3.87Å; I46-A61 HydrophobicContact CG2-CB 4.43Å; G57-A61 PolarHBondContact O-N 2.5Å; S58-A61 WeakPolarHBondContact O-CB 3.42Å; S58-A61 PolarHBondContact O-N 3.18Å; A61-Y64 WeakPolarHBondContact O-CB 3.44Å; A61-Y64 PolarHBondContact O-N 2.93Å; A61-L65 PolarHBondContact O-N 3.43Å; A61-P158 HydrophobicContact CB-CG 3.94Å; A61-L210 HydrophobicContact CB-CD1 4.28Å; A61-L210 HydrophobicContact CB-CD2 3.55Å
62A90.3Very high81.8Confident0 Ų036.2 Ų36.20%017%0.168CC..Hα-helixtrans-63.7-42.8176.400000111.7I46 L48 S58 Y64 L65 L66 Y70I46-A62 HydrophobicContact CG2-CB 4.21Å; L48-A62 HydrophobicContact CD1-CB 3.77Å; L48-A62 HydrophobicContact CD2-CB 3.79Å; L48-A62 HydrophobicContact CG-CB 4.27Å; S58-A62 PolarHBondContact O-N 3.29Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 2.75Å; A62-L65 PolarHBondContact O-N 3.43Å; A62-L66 VanDerWaalsContact O-CB 3.27Å; A62-L66 WeakPolarHBondContact O-CB 3.41Å; A62-L66 VanDerWaalsContact O-CG 3.29Å; A62-L66 WeakPolarHBondContact O-CG 3.25Å; A62-L66 PolarHBondContact O-N 3Å; A62-Y70 HydrophobicContact CB-CE2 4.4Å
63S87Confident79.4Confident4 Ų439.8 Ų39.83%0.02819%0.187CC..Hα-helixtrans-58.2-42.7174.8-63.50000111.7M59 K60 L66 F67 D68 Y70M59-S63 VanDerWaalsContact O-CB 3.29Å; M59-S63 WeakPolarHBondContact O-CB 3.35Å; M59-S63 PolarHBondContact O-N 2.83Å; M59-S63 PolarHBondContact O-OG 3.38Å; K60-S63 PolarHBondContact O-N 2.82Å; S63-L66 CarbonylContact O-C 3.6Å; S63-L66 PolarHBondContact O-N 2.83Å; S63-F67 PolarHBondContact O-N 3.49Å; S63-D68 WeakPolarHBondContact O-CA 3.35Å; S63-D68 PolarHBondContact O-N 2.84Å; S63-Y70 WeakPolarHBondContact OG-CD2 3.46Å
64Y90.8Very high77Confident16 Ų1636.1 Ų36.16%0.06317%0.173CC..Hα-helixtrans-63.2-50.8175.5173.9-104.5000111.8R28 V32 K60 A61 A62 L66 F67 L213 T214R28-Y64 HydrophobicContact CB-CD1 4.36Å; R28-Y64 HydrophobicContact CB-CE1 3.65Å; R28-Y64 WeakPolarHBondContact CD-O 3.27Å; R28-Y64 HydrophobicContact CG-CE1 3.97Å; R28-Y64 HydrophobicContact CG-CE2 3.92Å; R28-Y64 PolarHBondContact NH1-O 3.06Å; R28-Y64 WeakPolarHBondContact O-CE1 3.27Å; V32-Y64 HydrophobicContact CG2-CD1 4.29Å; V32-Y64 HydrophobicContact CG2-CE1 4.15Å; K60-Y64 WeakPolarHBondContact O-CB 3.28Å; K60-Y64 PolarHBondContact O-N 3.16Å; A61-Y64 WeakPolarHBondContact O-CB 3.44Å; A61-Y64 PolarHBondContact O-N 2.93Å; A62-Y64 VanDerWaalsContact C-N 3.29Å; A62-Y64 PolarHBondContact O-N 2.75Å; Y64-L66 PolarHBondContact O-N 3.24Å; Y64-F67 PolarHBondContact O-N 2.93Å; Y64-L213 HydrophobicContact CE1-CD2 3.76Å; Y64-L213 HydrophobicContact CE1-CG 4.08Å; Y64-T214 HydrophobicContact CD2-CG2 3.84Å; Y64-T214 HydrophobicContact CG-CG2 3.81Å
65L91.5Very high74.7Confident0 Ų033.7 Ų33.70%018%0.181CC..Hα-helixtrans-64-29.9-179.3-69.7170.3000113.3R28 L29 V32 I46 A61 A62 I94 W118R28-L65 HydrophobicContact CB-CD2 4.43Å; L29-L65 HydrophobicContact CB-CD2 4.38Å; L29-L65 HydrophobicContact CD1-CD2 4.39Å; V32-L65 HydrophobicContact CG2-CD2 3.94Å; V32-L65 HydrophobicContact CG2-CG 4.38Å; I46-L65 HydrophobicContact CD1-CD1 3.8Å; A61-L65 PolarHBondContact O-N 3.43Å; A62-L65 PolarHBondContact O-N 3.43Å; L65-I94 HydrophobicContact CD1-CD1 3.57Å; L65-W118 HydrophobicContact CB-CH2 3.98Å; L65-W118 HydrophobicContact CB-CZ2 4.09Å; L65-W118 HydrophobicContact CD1-CH2 4.27Å; L65-W118 HydrophobicContact CD2-CH2 4.5Å; L65-W118 HydrophobicContact CD2-CZ2 4.34Å; L65-W118 HydrophobicContact CG-CH2 4.49Å
66L88.5Confident72.1Confident4 Ų438.7 Ų38.72%0.02121%0.208CC..THydrogen-bonded Turntrans-103.631.1-175.4-56.3170.6000113.1A62 S63 Y64 D68 A69 Y70 I111 Y114 V115A62-L66 VanDerWaalsContact O-CB 3.27Å; A62-L66 WeakPolarHBondContact O-CB 3.41Å; A62-L66 VanDerWaalsContact O-CG 3.29Å; A62-L66 WeakPolarHBondContact O-CG 3.25Å; A62-L66 PolarHBondContact O-N 3Å; S63-L66 CarbonylContact O-C 3.6Å; S63-L66 PolarHBondContact O-N 2.83Å; Y64-L66 PolarHBondContact O-N 3.24Å; L66-D68 VanDerWaalsContact C-N 3.29Å; L66-D68 PolarHBondContact O-N 3.31Å; L66-A69 VanDerWaalsContact O-CB 3.27Å; L66-A69 WeakPolarHBondContact O-CB 3.29Å; L66-A69 PolarHBondContact O-N 2.78Å; L66-Y70 HydrophobicContact CB-CE2 4.24Å; L66-Y70 HydrophobicContact CD1-CE2 3.83Å; L66-Y70 WeakPolarHBondContact CD1-OH 3.33Å; L66-I111 HydrophobicContact CD2-CG2 4.04Å; L66-Y114 HydrophobicContact CD2-CG 4.26Å; L66-V115 HydrophobicContact CD2-CG1 3.72Å
67F86.3Confident69.7Low0 Ų038.4 Ų38.40%022%0.218CC..THydrogen-bonded Turntrans53.639.4173.2-56.6-32.8000115.5R16 F20 A24 S25 S63 Y64 A69 Y114 V220R16-F67 PolarHBondContact NH1-O 3.07Å; F20-F67 HydrophobicContact CB-CD2 4.03Å; F20-F67 HydrophobicContact CB-CE2 3.59Å; F20-F67 HydrophobicContact CB-CZ 3.89Å; F20-F67 HydrophobicContact CD2-CB 4.19Å; F20-F67 AromaticContact CD2-CD2 3.84Å; F20-F67 HydrophobicContact CD2-CD2 3.84Å; F20-F67 HydrophobicContact CD2-CE2 4.3Å; F20-F67 HydrophobicContact CD2-CG 4.05Å; F20-F67 HydrophobicContact CE2-CB 4.41Å; F20-F67 HydrophobicContact CG-CD2 4.27Å; F20-F67 HydrophobicContact CG-CE2 4.28Å; A24-F67 HydrophobicContact CB-CZ 4.35Å; S25-F67 VanDerWaalsContact CB-CZ 3.49Å; S63-F67 PolarHBondContact O-N 3.49Å; Y64-F67 PolarHBondContact O-N 2.93Å; F67-A69 PolarHBondContact O-N 2.96Å; F67-A69 VanDerWaalsContact O-N 3.14Å; F67-Y114 HydrophobicContact CB-CD1 4.47Å; F67-Y114 HydrophobicContact CB-CE1 4.28Å; F67-Y114 AromaticContact CD2-CD1 3.82Å; F67-Y114 HydrophobicContact CD2-CD1 3.82Å; F67-Y114 HydrophobicContact CD2-CE1 4.05Å; F67-Y114 HydrophobicContact CG-CD1 4.42Å; F67-V220 HydrophobicContact CB-CG1 4.24Å; F67-V220 HydrophobicContact CB-CG2 4.13Å; F67-V220 HydrophobicContact CD1-CG2 3.52Å; F67-V220 HydrophobicContact CE1-CG2 4.05Å; F67-V220 HydrophobicContact CG-CG2 4Å
68D77.1Confident67.3Low19 Ų1942.7 Ų42.710%0.10225%0.253CS..THydrogen-bonded Turntrans51.732.8-177.3-69.5-67.2000113.1S63 L66 Y70 K71S63-D68 WeakPolarHBondContact O-CA 3.35Å; S63-D68 PolarHBondContact O-N 2.84Å; L66-D68 VanDerWaalsContact C-N 3.29Å; L66-D68 PolarHBondContact O-N 3.31Å; D68-Y70 PolarHBondContact O-N 2.98Å; D68-K71 HydrophobicContact CB-CB 4.36Å; D68-K71 HydrophobicContact CB-CD 4.44Å; D68-K71 PolarHBondContact O-N 3.09Å; D68-K71 WeakPolarHBondContact OD1-CD 3.3Å; D68-K71 WeakPolarHBondContact OD1-CE 3.48Å; D68-K71 IonicContact OD1-NZ 2.77Å; D68-K71 PolarHBondContact OD1-NZ 2.86Å
69A69.3Low64.8Low22 Ų2250.3 Ų50.318%0.18229%0.289CS..Hα-helixtrans-48.2-34.1179.400000112.8L66 F67L66-A69 VanDerWaalsContact O-CB 3.27Å; L66-A69 WeakPolarHBondContact O-CB 3.29Å; L66-A69 PolarHBondContact O-N 2.78Å; F67-A69 PolarHBondContact O-N 2.96Å; F67-A69 VanDerWaalsContact O-N 3.14Å
70Y61.4Low62.6Low30 Ų3045.9 Ų45.912%0.11827%0.268CS..Hα-helixtrans-73-30179.9-48.9-86.6000114.9A62 S63 L66 D68 L84 L87A62-Y70 HydrophobicContact CB-CE2 4.4Å; S63-Y70 WeakPolarHBondContact OG-CD2 3.46Å; L66-Y70 HydrophobicContact CB-CE2 4.24Å; L66-Y70 HydrophobicContact CD1-CE2 3.83Å; L66-Y70 WeakPolarHBondContact CD1-OH 3.33Å; D68-Y70 PolarHBondContact O-N 2.98Å; Y70-L84 HydrophobicContact CD1-CD2 4Å; Y70-L87 HydrophobicContact CD1-CD1 3.73Å; Y70-L87 HydrophobicContact CE1-CB 3.8Å; Y70-L87 HydrophobicContact CE1-CD1 3.29Å; Y70-L87 HydrophobicContact CE1-CG 4.11Å
71K58.6Low60.6Low97 Ų9750.6 Ų50.642%0.42229%0.288SS..Hα-helixtrans-90.9-14.8-165-71.4-175.5-170.9145.70115.8D68D68-K71 HydrophobicContact CB-CB 4.36Å; D68-K71 HydrophobicContact CB-CD 4.44Å; D68-K71 PolarHBondContact O-N 3.09Å; D68-K71 WeakPolarHBondContact OD1-CD 3.3Å; D68-K71 WeakPolarHBondContact OD1-CE 3.48Å; D68-K71 IonicContact OD1-NZ 2.77Å; D68-K71 PolarHBondContact OD1-NZ 2.86Å
72M45.8Very low58.5Low57 Ų5757.9 Ų57.928%0.28132%0.322SS..Hα-helixtrans-119.1-14-176.3-82.2-155.159.300115.9R16 C74 Y224 C227R16-M72 PolarHBondContact NH2-SD 3.41Å; M72-C74 PolarHBondContact O-N 3.11Å; M72-Y224 HydrophobicContact CG-CD2 4.39Å; M72-Y224 HydrophobicContact SD-CD2 4.12Å; M72-C227 HydrophobicContact CE-CB 4.35Å; M72-C227 HydrophobicContact SD-CB 4.43Å
73N38.8Very low56.6Low76 Ų7659.9 Ų59.941%0.40633%0.332SS..SBendtrans-64.9-26.3162.9-71.95.9000110.7L11 G75 C80L11-N73 VanDerWaalsContact CD2-ND2 3.31Å; L11-N73 WeakPolarHBondContact CD2-ND2 3.39Å; N73-G75 PolarHBondContact O-N 2.8Å; N73-C80 PolarHBondContact O-SG 2.98Å
74C35.8Very low55Low44 Ų4462.8 Ų62.830%0.29735%0.346SS..THydrogen-bonded Turntrans-79.445.3176.7-64.10000114.5M72 D76M72-C74 PolarHBondContact O-N 3.11Å; C74-D76 VanDerWaalsContact C-N 3.26Å
75G37Very low53.7Low65 Ų6566.6 Ų66.667%0.6737%0.368SS*.THydrogen-bonded Turntrans-64.3-38.4160.500000110.8N73N73-G75 PolarHBondContact O-N 2.8Å
76D32.2Very low52.5Low121 Ų12169.1 Ų69.165%0.64738%0.381SS*.SBendtrans-115103.3175.8-67.8-49.3000109.9C74 A78 E79C74-D76 VanDerWaalsContact C-N 3.26Å; D76-A78 PolarHBondContact O-N 3.42Å; D76-E79 PolarHBondContact O-N 2.71Å
77V34.1Very low51.7Low106 Ų10670.1 Ų70.164%0.64239%0.386SS*.THydrogen-bonded Turntrans-59.9-11.7-175.9179.10000113.1
78A36.1Very low51.3Low90 Ų9072.5 Ų72.574%0.74440%0.398SS*.THydrogen-bonded Turntrans-87.4-40.6-175.800000114.2D76D76-A78 PolarHBondContact O-N 3.42Å
79E36.3Very low51.6Low161 Ų16175 Ų7575%0.75241%0.411SS*.THydrogen-bonded Turntrans-86.2-24.4-176.2-73.4-172161.400113.2D76D76-E79 PolarHBondContact O-N 2.71Å
80C40.7Very low52.5Low11 Ų1174 Ų747%0.07440%0.403CS..SBendtrans-87.3-9.1-175.3-77.20000116.3N73 E82 E83 L84N73-C80 PolarHBondContact O-SG 2.98Å; C80-E82 VanDerWaalsContact C-N 3.29Å; C80-E82 PolarHBondContact O-N 2.88Å; C80-E83 PolarHBondContact O-N 2.79Å; C80-E83 VanDerWaalsContact O-N 3.11Å; C80-L84 PolarHBondContact O-N 3.47Å
81K44.7Very low54Low139 Ų13972.7 Ų72.760%0.60440%0.397SS*.Hα-helixtrans-59.7-43.7176.4-80.1-173.4177.5-176.80111.3E83 L84 D85K81-E83 PolarHBondContact O-N 3.21Å; K81-L84 PolarHBondContact O-N 2.89Å; K81-D85 VanDerWaalsContact O-CG 3.29Å; K81-D85 PolarHBondContact O-N 2.82Å
82E45.9Very low55.7Low153 Ų15368.2 Ų68.272%0.71538%0.378SS*.Hα-helixtrans-63.3-25.8176.8-62.7-173.7176.400113C80C80-E82 VanDerWaalsContact C-N 3.29Å; C80-E82 PolarHBondContact O-N 2.88Å
83E50.2Low57.9Low43 Ų4365.5 Ų65.520%0.20137%0.365CS..Hα-helixtrans-83.4-33.3178-63-171.8153.300112.9C80 K81 D85 I86C80-E83 PolarHBondContact O-N 2.79Å; C80-E83 VanDerWaalsContact O-N 3.11Å; K81-E83 PolarHBondContact O-N 3.21Å; E83-D85 VanDerWaalsContact C-N 3.34Å; E83-I86 WeakPolarHBondContact O-CB 2.96Å; E83-I86 PolarHBondContact O-N 3.38Å
84L53.4Low60.6Low64 Ų6461.9 Ų61.934%0.33535%0.345SS..Hα-helixtrans-67.1-37.9176.1-75.8164.5000111.3Y70 C80 K81 I86 L87Y70-L84 HydrophobicContact CD1-CD2 4Å; C80-L84 PolarHBondContact O-N 3.47Å; K81-L84 PolarHBondContact O-N 2.89Å; L84-I86 PolarHBondContact O-N 2.79Å; L84-L87 PolarHBondContact O-N 3.33Å
85D65Low63.1Low96 Ų9661.1 Ų61.151%0.51334%0.336SS..G310 helixtrans-57-31.9175.8-64.5-8.2000111.7K81 E83 L87 E88K81-D85 VanDerWaalsContact O-CG 3.29Å; K81-D85 PolarHBondContact O-N 2.82Å; E83-D85 VanDerWaalsContact C-N 3.34Å; D85-L87 PolarHBondContact O-N 3.4Å; D85-E88 PolarHBondContact O-N 3.26Å
86I66.4Low65.3Low53 Ų5361.7 Ų61.727%0.27232%0.324SS..G310 helixtrans-63.4-32.8179.6-58.4174.7000111.2E83 L84 N104 A106 S107 L110E83-I86 WeakPolarHBondContact O-CB 2.96Å; E83-I86 PolarHBondContact O-N 3.38Å; L84-I86 PolarHBondContact O-N 2.79Å; I86-N104 PolarHBondContact O-ND2 3.12Å; I86-A106 HydrophobicContact CG2-CB 3.8Å; I86-S107 PolarHBondContact O-OG 3.27Å; I86-L110 HydrophobicContact CG2-CD1 3.99Å
87L70.6Confident67.6Low26 Ų2657.5 Ų57.514%0.13630%0.301CS..G310 helixtrans-96.412.5-171.6-57.7169.8000113.2Y70 L84 D85 I90 L110 I111Y70-L87 HydrophobicContact CD1-CD1 3.73Å; Y70-L87 HydrophobicContact CE1-CB 3.8Å; Y70-L87 HydrophobicContact CE1-CD1 3.29Å; Y70-L87 HydrophobicContact CE1-CG 4.11Å; L84-L87 PolarHBondContact O-N 3.33Å; D85-L87 PolarHBondContact O-N 3.4Å; L87-I90 HydrophobicContact CB-CD1 4.03Å; L87-I90 HydrophobicContact CD2-CD1 4Å; L87-I90 WeakPolarHBondContact O-CD1 3.38Å; L87-L110 HydrophobicContact CD2-CB 4.38Å; L87-L110 HydrophobicContact CD2-CD1 4.19Å; L87-I111 HydrophobicContact CD2-CD1 3.8Å; L87-I111 HydrophobicContact CD2-CG1 4.04Å
88E77.9Confident69.9Low50 Ų5052.7 Ų52.723%0.23427%0.272CS..SBendtrans-77.8-39.3-179.6-69.3-168.4173.400112.8L48 F54 D85 I90L48-E88 CarbonylContact C-O 3.53Å; L48-E88 VanDerWaalsContact C-O 3.23Å; F54-E88 WeakPolarHBondContact CE1-OE1 3.15Å; D85-E88 PolarHBondContact O-N 3.26Å; E88-I90 PolarHBondContact O-N 3.18Å
89D83.9Confident72.5Confident71 Ų7148.4 Ų48.438%0.3824%0.236SC..SBendtrans-82.759.6-176.9-66.2-32.7000112.5C103D89-C103 WeakPolarHBondContact O-CA 3.44Å
90I88.6Confident75Confident2 Ų240.8 Ų40.81%0.0120%0.201CC..EExtended strand (participates in β ladder)trans-135.9133-176.8-58.2171.2000110.3L48 L87 E88 L101 Y102 C103 I111L48-I90 HydrophobicContact CB-CB 4.47Å; L48-I90 WeakPolarHBondContact CB-O 3.45Å; L48-I90 HydrophobicContact CD1-CB 4Å; L48-I90 HydrophobicContact CD1-CD1 4.49Å; L48-I90 HydrophobicContact CD1-CG2 4.18Å; L48-I90 PolarHBondContact N-O 2.63Å; L87-I90 HydrophobicContact CB-CD1 4.03Å; L87-I90 HydrophobicContact CD2-CD1 4Å; L87-I90 WeakPolarHBondContact O-CD1 3.38Å; E88-I90 PolarHBondContact O-N 3.18Å; I90-L101 HydrophobicContact CG2-CD1 3.76Å; I90-Y102 WeakPolarHBondContact CA-O 3.36Å; I90-Y102 WeakPolarHBondContact CG2-O 3.39Å; I90-C103 HydrophobicContact CG1-CB 3.98Å; I90-I111 HydrophobicContact CD1-CD1 3.14Å; I90-I111 HydrophobicContact CG1-CD1 4.3Å
91F92.7Very high77.4Confident1 Ų140.3 Ų40.30%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-132.3146.4161.868.4-101.5000111.9I46 I47 Y102 K141 V144 F145 L180I46-F91 CarbonylContact O-C 3.54Å; I46-F91 WeakPolarHBondContact O-CA 3.49Å; I46-F91 WeakPolarHBondContact O-CB 3.45Å; I47-F91 HydrophobicContact CB-CB 4.45Å; I47-F91 HydrophobicContact CG1-CB 4Å; F91-Y102 AromaticContact CD1-CD1 3.73Å; F91-Y102 HydrophobicContact CD1-CD1 3.73Å; F91-Y102 AromaticContact CD1-CG 3.84Å; F91-Y102 HydrophobicContact CD1-CG 3.84Å; F91-Y102 AromaticContact CE1-CD1 3.59Å; F91-Y102 HydrophobicContact CE1-CD1 3.59Å; F91-Y102 HydrophobicContact CE1-CD2 4.01Å; F91-Y102 HydrophobicContact CE1-CE1 4.46Å; F91-Y102 AromaticContact CE1-CG 3.32Å; F91-Y102 HydrophobicContact CE1-CG 3.32Å; F91-Y102 HydrophobicContact CZ-CD1 4.43Å; F91-Y102 HydrophobicContact CZ-CD2 4.21Å; F91-Y102 AromaticContact CZ-CG 3.74Å; F91-Y102 HydrophobicContact CZ-CG 3.74Å; F91-Y102 PolarHBondContact N-O 3.08Å; F91-Y102 PolarHBondContact O-N 2.82Å; F91-K141 HydrophobicContact CD1-CG 4.38Å; F91-K141 HydrophobicContact CE1-CG 3.82Å; F91-V144 HydrophobicContact CE2-CG1 4.37Å; F91-V144 HydrophobicContact CZ-CB 4.32Å; F91-V144 HydrophobicContact CZ-CG1 3.89Å; F91-F145 HydrophobicContact CD2-CD2 4.14Å; F91-F145 HydrophobicContact CE1-CB 4.32Å; F91-F145 HydrophobicContact CE1-CD2 4.41Å; F91-F145 HydrophobicContact CE2-CD2 4.03Å; F91-F145 HydrophobicContact CG-CD2 4.4Å; F91-F145 HydrophobicContact CZ-CB 3.99Å; F91-F145 HydrophobicContact CZ-CD2 4.16Å; F91-L180 HydrophobicContact CD1-CD2 3.99Å; F91-L180 HydrophobicContact CE1-CD2 4.44Å
92L93.5Very high79.6Confident4 Ų434 Ų342%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-121.6129.4178-75.3159.9000109.3V45 I46 V99 I100 L101 W118V45-L92 CarbonylContact C-O 3.59Å; V45-L92 WeakPolarHBondContact CA-O 3.29Å; I46-L92 HydrophobicContact CB-CB 4.13Å; I46-L92 HydrophobicContact CD1-CB 4.3Å; I46-L92 HydrophobicContact CD1-CD1 4.38Å; I46-L92 PolarHBondContact N-O 2.92Å; I46-L92 PolarHBondContact O-N 2.85Å; L92-V99 HydrophobicContact CD2-CG1 4.17Å; L92-I100 CarbonylContact C-O 3.48Å; L92-I100 WeakPolarHBondContact CA-O 3.5Å; L92-L101 HydrophobicContact CD2-CB 3.83Å; L92-L101 HydrophobicContact CD2-CD1 3.6Å; L92-L101 HydrophobicContact CD2-CG 4.23Å; L92-L101 HydrophobicContact CG-CD1 3.98Å; L92-W118 HydrophobicContact CD2-CZ3 4.06Å
93C93.5Very high81.5Confident0 Ų026.8 Ų26.80%014%0.136CC..EExtended strand (participates in β ladder)trans-120.1102.5176.5-77.60000108I43 F44 I100 T148I43-C93 HydrophobicContact CD1-CB 3.7Å; I43-C93 HydrophobicContact CG1-CB 4.28Å; F44-C93 CarbonylContact O-C 3.18Å; F44-C93 WeakPolarHBondContact O-CA 3.19Å; C93-I100 HydrophobicContact CB-CB 4.03Å; C93-I100 PolarHBondContact N-O 3.13Å; C93-I100 PolarHBondContact O-N 3.13Å; C93-T148 HydrophobicContact CB-CG2 3.9Å
94I93.4Very high83Confident0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-99.9125.1-174.4-60.3163.7000108.9L29 V32 R33 F44 I46 L65 V99L29-I94 HydrophobicContact CD1-CD1 4.08Å; L29-I94 HydrophobicContact CD1-CG1 4.27Å; L29-I94 HydrophobicContact CD1-CG2 3.89Å; V32-I94 HydrophobicContact CG1-CD1 3.89Å; R33-I94 HydrophobicContact CG-CG2 3.84Å; F44-I94 HydrophobicContact CB-CB 4.23Å; F44-I94 PolarHBondContact N-O 2.85Å; F44-I94 PolarHBondContact O-N 2.76Å; I46-I94 HydrophobicContact CD1-CD1 4.15Å; L65-I94 HydrophobicContact CD1-CD1 3.57Å; I94-V99 HydrophobicContact CG1-CG1 4.09Å; I94-V99 HydrophobicContact CG2-CG2 4.43Å
95R88.7Confident84Confident28 Ų2826.4 Ų26.411%0.10613%0.131CC..  trans-112.3175169.2-55.8-161.3-42.8-136.5-4110.3R33 I43 N97 E98 F152R33-R95 PolarHBondContact NE-O 3.02Å; I43-R95 HydrophobicContact CB-CG 4.4Å; I43-R95 HydrophobicContact CD1-CG 4.11Å; I43-R95 HydrophobicContact CG1-CG 3.99Å; R95-N97 WeakPolarHBondContact CB-OD1 3.43Å; R95-N97 VanDerWaalsContact CZ-OD1 3.25Å; R95-N97 PolarHBondContact NE-OD1 3.48Å; R95-N97 PolarHBondContact NH2-ND2 3.07Å; R95-N97 VanDerWaalsContact NH2-ND2 3.13Å; R95-N97 PolarHBondContact NH2-OD1 2.9Å; R95-N97 PolarHBondContact O-N 3.49Å; R95-E98 HydrophobicContact CB-CG 4.42Å; R95-E98 HydrophobicContact CG-CG 4.41Å; R95-E98 VanDerWaalsContact CZ-CG 3.48Å; R95-E98 IonicContact CZ-OE1 3.82Å; R95-E98 IonicContact CZ-OE2 2.77Å; R95-E98 PolarHBondContact N-O 2.78Å; R95-E98 IonicContact NE-OE1 3.04Å; R95-E98 IonicContact NH1-OE1 2.92Å; R95-E98 PolarHBondContact NH1-OE1 2.86Å; R95-E98 VanDerWaalsContact NH2-CG 3.25Å; R95-E98 IonicContact NH2-OE1 3.5Å; R95-E98 PolarHBondContact NH2-OE1 3.33Å; R95-E98 IonicContact NH2-OE2 3.96Å; R95-E98 PolarHBondContact NH2-OE2 2.92Å; R95-F152 VanDerWaalsContact CD-CZ 3.5Å
96L83.5Confident84.5Confident77 Ų7723.9 Ų23.940%0.40312%0.124SC..SBendtrans-62.3-32.6172.4-65.9-179.5000111.7R33 M36 K37R33-L96 HydrophobicContact CB-CD2 4.31Å; M36-L96 HydrophobicContact CE-CB 4.29Å; M36-L96 HydrophobicContact CE-CD2 3.48Å; M36-L96 VanDerWaalsContact CE-CD2 3.48Å; M36-L96 HydrophobicContact CE-CG 3.44Å; M36-L96 VanDerWaalsContact CE-CG 3.44Å; K37-L96 HydrophobicContact CB-CD2 4.29Å
97N79.9Confident85.1Confident32 Ų3221.4 Ų21.417%0.17111%0.111CC..SBendtrans-106.5-24-170.668.7-21.1000114.7R95 N120 T1030R95-N97 WeakPolarHBondContact CB-OD1 3.43Å; R95-N97 VanDerWaalsContact CZ-OD1 3.25Å; R95-N97 PolarHBondContact NE-OD1 3.48Å; R95-N97 PolarHBondContact NH2-ND2 3.07Å; R95-N97 VanDerWaalsContact NH2-ND2 3.13Å; R95-N97 PolarHBondContact NH2-OD1 2.9Å; R95-N97 PolarHBondContact O-N 3.49Å; N97-N120 WeakPolarHBondContact O-CB 3.39Å; N97-N120 PolarHBondContact O-ND2 3.22Å; N97-T1030 VanDerWaalsContact CA-OG1 3.25Å; N97-T1030 WeakPolarHBondContact CA-OG1 3.31Å; N97-T1030 WeakPolarHBondContact CB-OG1 3.24Å
98E83.8Confident85.5Confident6 Ų622 Ų223%0.02811%0.112CC..  trans-146.8163.1-175.185.9-177.7174.700110.9R95 I100 N120 R122R95-E98 HydrophobicContact CB-CG 4.42Å; R95-E98 HydrophobicContact CG-CG 4.41Å; R95-E98 VanDerWaalsContact CZ-CG 3.48Å; R95-E98 IonicContact CZ-OE1 3.82Å; R95-E98 IonicContact CZ-OE2 2.77Å; R95-E98 PolarHBondContact N-O 2.78Å; R95-E98 IonicContact NE-OE1 3.04Å; R95-E98 IonicContact NH1-OE1 2.92Å; R95-E98 PolarHBondContact NH1-OE1 2.86Å; R95-E98 VanDerWaalsContact NH2-CG 3.25Å; R95-E98 IonicContact NH2-OE1 3.5Å; R95-E98 PolarHBondContact NH2-OE1 3.33Å; R95-E98 IonicContact NH2-OE2 3.96Å; R95-E98 PolarHBondContact NH2-OE2 2.92Å; E98-I100 HydrophobicContact CG-CD1 4.5Å; E98-I100 HydrophobicContact CG-CG1 4.2Å; E98-I100 VanDerWaalsContact OE1-CD1 3.27Å; E98-I100 WeakPolarHBondContact OE1-CD1 3.5Å; E98-N120 WeakPolarHBondContact CA-O 3.2Å; E98-N120 HydrophobicContact CB-CB 4.05Å; E98-N120 WeakPolarHBondContact CB-O 3Å; E98-R122 IonicContact OE1-NH2 2.61Å; E98-R122 PolarHBondContact OE1-NH2 2.9Å; E98-R122 IonicContact OE2-CZ 3.63Å; E98-R122 IonicContact OE2-NH2 3.83Å; E98-R122 PolarHBondContact OE2-NH2 3.21Å
99V89.3Confident85.3Confident0 Ų021.3 Ų21.30%012%0.115CC..EExtended strand (participates in β ladder)trans-125.3128.5169.2-177.70000107.9L29 L92 I94 W118 N120 L121 R122L29-V99 HydrophobicContact CD1-CG2 3.95Å; L29-V99 HydrophobicContact CD2-CG2 3.95Å; L92-V99 HydrophobicContact CD2-CG1 4.17Å; I94-V99 HydrophobicContact CG1-CG1 4.09Å; I94-V99 HydrophobicContact CG2-CG2 4.43Å; V99-W118 HydrophobicContact CB-CE3 4.28Å; V99-W118 HydrophobicContact CG1-CE3 3.78Å; V99-W118 HydrophobicContact CG1-CZ3 3.9Å; V99-W118 HydrophobicContact CG2-CE3 4.28Å; V99-N120 PolarHBondContact N-O 2.7Å; V99-N120 VanDerWaalsContact N-O 3.13Å; V99-L121 HydrophobicContact CB-CD1 4Å; V99-L121 HydrophobicContact CG1-CD1 4.01Å; V99-L121 CarbonylContact O-C 3.56Å; V99-L121 WeakPolarHBondContact O-CA 3.11Å; V99-R122 PolarHBondContact O-N 3.45Å
100I89.3Confident85Confident1 Ų119.4 Ų19.41%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-108.6120175.4-59.2163000107.4L92 C93 E98 R122 T148L92-I100 CarbonylContact C-O 3.48Å; L92-I100 WeakPolarHBondContact CA-O 3.5Å; C93-I100 HydrophobicContact CB-CB 4.03Å; C93-I100 PolarHBondContact N-O 3.13Å; C93-I100 PolarHBondContact O-N 3.13Å; E98-I100 HydrophobicContact CG-CD1 4.5Å; E98-I100 HydrophobicContact CG-CG1 4.2Å; E98-I100 VanDerWaalsContact OE1-CD1 3.27Å; E98-I100 WeakPolarHBondContact OE1-CD1 3.5Å; I100-R122 WeakPolarHBondContact CA-O 3.41Å; I100-R122 HydrophobicContact CG1-CB 4.31Å; I100-T148 HydrophobicContact CD1-CG2 3.37Å
101L91Very high84.6Confident0 Ų019.6 Ų19.60%011%0.106CC..EExtended strand (participates in β ladder)trans-111.5126.4175.7168.561.9000108.8I90 L92 C103 I111 V115 L121 R122 I123 H124I90-L101 HydrophobicContact CG2-CD1 3.76Å; L92-L101 HydrophobicContact CD2-CB 3.83Å; L92-L101 HydrophobicContact CD2-CD1 3.6Å; L92-L101 HydrophobicContact CD2-CG 4.23Å; L92-L101 HydrophobicContact CG-CD1 3.98Å; L101-C103 HydrophobicContact CD1-CB 4.37Å; L101-I111 HydrophobicContact CD2-CG2 4.23Å; L101-V115 HydrophobicContact CD2-CG2 3.87Å; L101-L121 HydrophobicContact CB-CD1 4.28Å; L101-R122 PolarHBondContact N-O 3.28Å; L101-I123 HydrophobicContact CD2-CG2 4.47Å; L101-I123 CarbonylContact O-C 3.59Å; L101-I123 WeakPolarHBondContact O-CA 3.5Å; L101-H124 PolarHBondContact O-N 3.27Å
102Y90.3Very high84Confident8 Ų820.4 Ų20.43%0.03111%0.111CC..EExtended strand (participates in β ladder)trans-105.4135.3161.4175.6-85.7000109.8I90 F91 H124 K141I90-Y102 WeakPolarHBondContact CA-O 3.36Å; I90-Y102 WeakPolarHBondContact CG2-O 3.39Å; F91-Y102 AromaticContact CD1-CD1 3.73Å; F91-Y102 HydrophobicContact CD1-CD1 3.73Å; F91-Y102 AromaticContact CD1-CG 3.84Å; F91-Y102 HydrophobicContact CD1-CG 3.84Å; F91-Y102 AromaticContact CE1-CD1 3.59Å; F91-Y102 HydrophobicContact CE1-CD1 3.59Å; F91-Y102 HydrophobicContact CE1-CD2 4.01Å; F91-Y102 HydrophobicContact CE1-CE1 4.46Å; F91-Y102 AromaticContact CE1-CG 3.32Å; F91-Y102 HydrophobicContact CE1-CG 3.32Å; F91-Y102 HydrophobicContact CZ-CD1 4.43Å; F91-Y102 HydrophobicContact CZ-CD2 4.21Å; F91-Y102 AromaticContact CZ-CG 3.74Å; F91-Y102 HydrophobicContact CZ-CG 3.74Å; F91-Y102 PolarHBondContact N-O 3.08Å; F91-Y102 PolarHBondContact O-N 2.82Å; Y102-H124 VanDerWaalsContact CA-O 3.25Å; Y102-H124 WeakPolarHBondContact CA-O 3.31Å; Y102-H124 HydrophobicContact CD2-CB 4.07Å; Y102-K141 HydrophobicContact CD1-CD 4.38Å; Y102-K141 HydrophobicContact CD1-CG 4.04Å; Y102-K141 HydrophobicContact CE1-CB 4.12Å; Y102-K141 HydrophobicContact CE1-CD 3.7Å; Y102-K141 HydrophobicContact CE1-CG 3.56Å; Y102-K141 HydrophobicContact CE2-CB 3.94Å; Y102-K141 HydrophobicContact CE2-CG 4.1Å; Y102-K141 WeakPolarHBondContact OH-CB 3.28Å
103C87.3Confident83.4Confident0 Ų021.9 Ų21.90%012%0.121CC..EExtended strand (participates in β ladder)trans-155.5160172.9590000111.9D89 I90 L101 H124 Y125D89-C103 WeakPolarHBondContact O-CA 3.44Å; I90-C103 HydrophobicContact CG1-CB 3.98Å; L101-C103 HydrophobicContact CD1-CB 4.37Å; C103-H124 PolarHBondContact N-O 3.19Å; C103-Y125 WeakPolarHBondContact O-CA 3.33Å; C103-Y125 WeakPolarHBondContact O-CB 3.12Å
104N80.8Confident82.9Confident30 Ų3022.9 Ų22.916%0.1613%0.125CC..  trans-74.8162.5167.870.431.9000111.4I86 A106 S107 F108I86-N104 PolarHBondContact O-ND2 3.12Å; N104-A106 VanDerWaalsContact C-N 3.29Å; N104-A106 PolarHBondContact O-N 2.65Å; N104-A106 PolarHBondContact OD1-N 2.98Å; N104-S107 WeakPolarHBondContact O-CB 3.14Å; N104-S107 PolarHBondContact O-N 2.75Å; N104-S107 WeakPolarHBondContact OD1-CB 3.48Å; N104-S107 PolarHBondContact OD1-N 2.9Å; N104-S107 PolarHBondContact OD1-OG 2.78Å; N104-F108 PolarHBondContact O-N 2.84Å
105Y74.9Confident82.7Confident69 Ų6922.9 Ų22.927%0.27113%0.125SC..Hα-helixtrans-57.3-39.1-177-179.3-98.1000113.4F108 A109 Y125 E128 M131Y105-F108 PolarHBondContact O-N 3.44Å; Y105-A109 PolarHBondContact O-N 3.31Å; Y105-Y125 HydrophobicContact CD2-CD2 4.18Å; Y105-Y125 AromaticContact CD2-CE2 3.93Å; Y105-Y125 HydrophobicContact CD2-CE2 3.93Å; Y105-E128 HydrophobicContact CD1-CG 4.08Å; Y105-E128 HydrophobicContact CD2-CG 4.06Å; Y105-E128 HydrophobicContact CE1-CG 3.86Å; Y105-E128 WeakPolarHBondContact CE1-OE1 3.37Å; Y105-E128 HydrophobicContact CE2-CG 3.83Å; Y105-E128 HydrophobicContact CG-CG 4.19Å; Y105-E128 PolarHBondContact OH-OE1 3.01Å; Y105-M131 HydrophobicContact CD1-CE 4.23Å
106A75.1Confident82.5Confident44 Ų4421.6 Ų21.636%0.36412%0.12SC..Hα-helixtrans-67-42179.900000112.2I86 N104I86-A106 HydrophobicContact CG2-CB 3.8Å; N104-A106 VanDerWaalsContact C-N 3.29Å; N104-A106 PolarHBondContact O-N 2.65Å; N104-A106 PolarHBondContact OD1-N 2.98Å
107S78.9Confident82.5Confident0 Ų018.7 Ų18.70%011%0.105CC..Hα-helixtrans-62.1-40.7173.5-86.50000112.4I86 N104 A109 L110 I111I86-S107 PolarHBondContact O-OG 3.27Å; N104-S107 WeakPolarHBondContact O-CB 3.14Å; N104-S107 PolarHBondContact O-N 2.75Å; N104-S107 WeakPolarHBondContact OD1-CB 3.48Å; N104-S107 PolarHBondContact OD1-N 2.9Å; N104-S107 PolarHBondContact OD1-OG 2.78Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 2.85Å; S107-L110 WeakPolarHBondContact O-CB 3.39Å; S107-L110 PolarHBondContact O-N 3.09Å; S107-I111 PolarHBondContact O-N 3.06Å
108F78.8Confident82.9Confident38 Ų3817.2 Ų17.217%0.16710%0.097CC..Hα-helixtrans-58.3-44.9-177.9-178.1-113.4000111.8N104 Y105 L110 I111 S112 I123N104-F108 PolarHBondContact O-N 2.84Å; Y105-F108 PolarHBondContact O-N 3.44Å; F108-L110 PolarHBondContact O-N 2.96Å; F108-I111 PolarHBondContact O-N 3.48Å; F108-S112 WeakPolarHBondContact O-CB 3.01Å; F108-S112 PolarHBondContact O-N 3.33Å; F108-I123 HydrophobicContact CD2-CG2 3.88Å; F108-I123 HydrophobicContact CE2-CD1 3.65Å; F108-I123 HydrophobicContact CE2-CG2 3.74Å; F108-I123 HydrophobicContact CZ-CD1 4.11Å
109A74.5Confident82.8Confident36 Ų3617.2 Ų17.230%0.29810%0.097SC..Hα-helixtrans-61.1-26.7178.200000113.6Y105 S107Y105-A109 PolarHBondContact O-N 3.31Å; S107-A109 VanDerWaalsContact C-N 3.31Å; S107-A109 PolarHBondContact O-N 2.85Å
110L76.8Confident82.4Confident31 Ų3118.2 Ų18.216%0.16210%0.103CC..Hα-helixtrans-86.2-37.4178.6-64.3176.6000112.4V8 L11 I86 L87 S107 F108 Y114V8-L110 HydrophobicContact CG2-CD2 4.34Å; L11-L110 HydrophobicContact CB-CD2 4.36Å; L11-L110 HydrophobicContact CD1-CD2 3.64Å; I86-L110 HydrophobicContact CG2-CD1 3.99Å; L87-L110 HydrophobicContact CD2-CB 4.38Å; L87-L110 HydrophobicContact CD2-CD1 4.19Å; S107-L110 WeakPolarHBondContact O-CB 3.39Å; S107-L110 PolarHBondContact O-N 3.09Å; F108-L110 PolarHBondContact O-N 2.96Å; L110-Y114 WeakPolarHBondContact O-CE2 3.48Å
111I81.5Confident82.2Confident7 Ų718.5 Ų18.54%0.03610%0.104CC..Hα-helixtrans-91.4-27.7-173.2-69.7169.8000112.7L66 L87 I90 L101 S107 F108 P113 Y114 V115L66-I111 HydrophobicContact CD2-CG2 4.04Å; L87-I111 HydrophobicContact CD2-CD1 3.8Å; L87-I111 HydrophobicContact CD2-CG1 4.04Å; I90-I111 HydrophobicContact CD1-CD1 3.14Å; I90-I111 HydrophobicContact CG1-CD1 4.3Å; L101-I111 HydrophobicContact CD2-CG2 4.23Å; S107-I111 PolarHBondContact O-N 3.06Å; F108-I111 PolarHBondContact O-N 3.48Å; I111-P113 VanDerWaalsContact C-CD 3.4Å; I111-P113 VanDerWaalsContact C-N 3.3Å; I111-P113 VanDerWaalsContact O-N 3.13Å; I111-Y114 WeakPolarHBondContact O-CA 3.21Å; I111-Y114 WeakPolarHBondContact O-CB 3.47Å; I111-Y114 PolarHBondContact O-N 2.89Å; I111-V115 HydrophobicContact CG2-CB 4.33Å; I111-V115 HydrophobicContact CG2-CG1 3.52Å; I111-V115 HydrophobicContact CG2-CG2 3.82Å; I111-V115 PolarHBondContact O-N 3.48Å
112S80.1Confident81.8Confident17 Ų1719 Ų1912%0.11911%0.106CC..Hα-helixtrans-43.5-48.7-178.7160.40000113.2F108 Y114 V115 C116F108-S112 WeakPolarHBondContact O-CB 3.01Å; F108-S112 PolarHBondContact O-N 3.33Å; S112-Y114 PolarHBondContact O-N 3.36Å; S112-Y114 VanDerWaalsContact O-N 3.08Å; S112-V115 PolarHBondContact O-N 3.49Å; S112-C116 VanDerWaalsContact O-CB 3.31Å; S112-C116 WeakPolarHBondContact O-CB 3.34Å; S112-C116 PolarHBondContact O-N 2.95Å; S112-C116 PolarHBondContact O-SG 2.96Å; S112-C116 PolarHBondContact OG-SG 3.3Å
113P79.1Confident81.4Confident35 Ų3519.3 Ų19.323%0.22711%0.108CC..Hα-helixtrans-57.3-29.3178.6-25.335.1000114.1H17 I111H17-P113 HydrophobicContact CB-CB 4.07Å; H17-P113 PolarHBondContact CD2-O 3.26Å; H17-P113 PolarHBondContact CE1-O 3.28Å; H17-P113 VanDerWaalsContact CG-O 3.24Å; H17-P113 PolarHBondContact ND1-O 3.35Å; H17-P113 PolarHBondContact NE2-O 2.8Å; I111-P113 VanDerWaalsContact C-CD 3.4Å; I111-P113 VanDerWaalsContact C-N 3.3Å; I111-P113 VanDerWaalsContact O-N 3.13Å
114Y84.5Confident81.1Confident22 Ų2220 Ų209%0.08611%0.111CC..Hα-helixtrans-88.7-20.3-174.3-61.6-91.5000114.2H17 S25 L66 F67 L110 I111 S112 H117H17-Y114 HydrophobicContact CB-CD1 3.99Å; H17-Y114 HydrophobicContact CB-CE1 3.75Å; H17-Y114 HydrophobicContact CB-CE2 4.36Å; H17-Y114 HydrophobicContact CB-CG 4.42Å; S25-Y114 PolarHBondContact OG-O 3.11Å; L66-Y114 HydrophobicContact CD2-CG 4.26Å; F67-Y114 HydrophobicContact CB-CD1 4.47Å; F67-Y114 HydrophobicContact CB-CE1 4.28Å; F67-Y114 AromaticContact CD2-CD1 3.82Å; F67-Y114 HydrophobicContact CD2-CD1 3.82Å; F67-Y114 HydrophobicContact CD2-CE1 4.05Å; F67-Y114 HydrophobicContact CG-CD1 4.42Å; L110-Y114 WeakPolarHBondContact O-CE2 3.48Å; I111-Y114 WeakPolarHBondContact O-CA 3.21Å; I111-Y114 WeakPolarHBondContact O-CB 3.47Å; I111-Y114 PolarHBondContact O-N 2.89Å; S112-Y114 PolarHBondContact O-N 3.36Å; S112-Y114 VanDerWaalsContact O-N 3.08Å; Y114-H117 PolarHBondContact O-CE1 3.34Å; Y114-H117 PolarHBondContact O-NE2 3.21Å
115V87.6Confident80.7Confident0 Ų020.1 Ų20.10%011%0.11CC..Hα-helixtrans-120.5-27.3-169.7-57.40000113.5L66 L101 I111 S112 H117 W118 L121L66-V115 HydrophobicContact CD2-CG1 3.72Å; L101-V115 HydrophobicContact CD2-CG2 3.87Å; I111-V115 HydrophobicContact CG2-CB 4.33Å; I111-V115 HydrophobicContact CG2-CG1 3.52Å; I111-V115 HydrophobicContact CG2-CG2 3.82Å; I111-V115 PolarHBondContact O-N 3.48Å; S112-V115 PolarHBondContact O-N 3.49Å; V115-H117 PolarHBondContact O-N 3.05Å; V115-H117 VanDerWaalsContact O-N 3.1Å; V115-W118 HydrophobicContact CB-CD2 4.17Å; V115-W118 HydrophobicContact CB-CE3 3.92Å; V115-W118 HydrophobicContact CB-CH2 4.43Å; V115-W118 HydrophobicContact CB-CZ3 4.06Å; V115-W118 HydrophobicContact CG1-CD2 4.43Å; V115-W118 HydrophobicContact CG1-CE3 4.06Å; V115-W118 HydrophobicContact CG1-CH2 3.7Å; V115-W118 HydrophobicContact CG1-CZ2 4.08Å; V115-W118 HydrophobicContact CG1-CZ3 3.68Å; V115-W118 WeakPolarHBondContact O-CB 3.29Å; V115-W118 VanDerWaalsContact O-CG 3.3Å; V115-W118 PolarHBondContact O-N 3.19Å; V115-L121 HydrophobicContact CB-CD2 4.31Å; V115-L121 HydrophobicContact CG2-CD2 4.07Å; V115-L121 WeakPolarHBondContact O-CD2 2.87Å
116C84.8Confident80.3Confident0 Ų017.2 Ų17.20%010%0.099CC..THydrogen-bonded Turntrans-61.8-26.3-168.5-75.20000114.3S112 W118 L977 S980 V981S112-C116 VanDerWaalsContact O-CB 3.31Å; S112-C116 WeakPolarHBondContact O-CB 3.34Å; S112-C116 PolarHBondContact O-N 2.95Å; S112-C116 PolarHBondContact O-SG 2.96Å; S112-C116 PolarHBondContact OG-SG 3.3Å; C116-W118 VanDerWaalsContact C-N 3.26Å; C116-W118 PolarHBondContact O-N 3.09Å; C116-L977 HydrophobicContact CB-CD1 3.92Å; C116-L977 WeakPolarHBondContact SG-CD1 3.35Å; C116-S980 WeakPolarHBondContact CB-OG 3.33Å; C116-V981 HydrophobicContact CB-CG2 4.26Å; C116-V981 WeakPolarHBondContact O-CG2 3.46Å
117H84.1Confident79.7Confident17 Ų1717.1 Ų17.18%0.0799%0.093CC..THydrogen-bonded Turntrans-78.9-0.5173.155.2-87.6000114.4H17 T22 S25 Y114 V115 V981H17-H117 AromaticContact NE2-CE1 3.6Å; H17-H117 AromaticContact NE2-ND1 3.89Å; T22-H117 HydrophobicContact CG2-CB 4.01Å; S25-H117 WeakPolarHBondContact CB-NE2 3.17Å; S25-H117 PolarHBondContact OG-NE2 3.37Å; Y114-H117 PolarHBondContact O-CE1 3.34Å; Y114-H117 PolarHBondContact O-NE2 3.21Å; V115-H117 PolarHBondContact O-N 3.05Å; V115-H117 VanDerWaalsContact O-N 3.1Å; H117-V981 HydrophobicContact CB-CG1 4.47Å
118W88.2Confident78.7Confident0 Ų021.8 Ų21.80%011%0.114CC..SBendtrans-70.2134.5175.3-69.1-9.2000111.3S25 L29 L65 L92 V99 V115 C116 L121S25-W118 PolarHBondContact OG-NE1 3.25Å; L29-W118 HydrophobicContact CD2-CB 4.14Å; L29-W118 HydrophobicContact CD2-CD2 4Å; L29-W118 HydrophobicContact CD2-CG 3.81Å; L65-W118 HydrophobicContact CB-CH2 3.98Å; L65-W118 HydrophobicContact CB-CZ2 4.09Å; L65-W118 HydrophobicContact CD1-CH2 4.27Å; L65-W118 HydrophobicContact CD2-CH2 4.5Å; L65-W118 HydrophobicContact CD2-CZ2 4.34Å; L65-W118 HydrophobicContact CG-CH2 4.49Å; L92-W118 HydrophobicContact CD2-CZ3 4.06Å; V99-W118 HydrophobicContact CB-CE3 4.28Å; V99-W118 HydrophobicContact CG1-CE3 3.78Å; V99-W118 HydrophobicContact CG1-CZ3 3.9Å; V99-W118 HydrophobicContact CG2-CE3 4.28Å; V115-W118 HydrophobicContact CB-CD2 4.17Å; V115-W118 HydrophobicContact CB-CE3 3.92Å; V115-W118 HydrophobicContact CB-CH2 4.43Å; V115-W118 HydrophobicContact CB-CZ3 4.06Å; V115-W118 HydrophobicContact CG1-CD2 4.43Å; V115-W118 HydrophobicContact CG1-CE3 4.06Å; V115-W118 HydrophobicContact CG1-CH2 3.7Å; V115-W118 HydrophobicContact CG1-CZ2 4.08Å; V115-W118 HydrophobicContact CG1-CZ3 3.68Å; V115-W118 WeakPolarHBondContact O-CB 3.29Å; V115-W118 VanDerWaalsContact O-CG 3.3Å; V115-W118 PolarHBondContact O-N 3.19Å; C116-W118 VanDerWaalsContact C-N 3.26Å; C116-W118 PolarHBondContact O-N 3.09Å; W118-L121 HydrophobicContact CB-CB 4.45Å; W118-L121 HydrophobicContact CE3-CD1 4.28Å; W118-L121 WeakPolarHBondContact O-CB 3.5Å
119P81.8Confident77.7Confident6 Ų626.3 Ų26.34%0.03914%0.14CC..THydrogen-bonded Turntrans-67.8143.2-179.428.1-35.2000110.9L26 L121 E941 L1029L26-P119 VanDerWaalsContact CD2-CD 3.44Å; L26-P119 HydrophobicContact CD2-CG 4.37Å; P119-L121 PolarHBondContact O-N 3.07Å; P119-E941 VanDerWaalsContact CA-OE1 3.24Å; P119-E941 WeakPolarHBondContact CA-OE1 3.31Å; P119-E941 HydrophobicContact CB-CG 4.21Å; P119-E941 VanDerWaalsContact CB-OE1 3.26Å; P119-E941 WeakPolarHBondContact CB-OE1 3.48Å; P119-L1029 HydrophobicContact CB-CD1 3.43Å; P119-L1029 VanDerWaalsContact CB-CD1 3.43Å; P119-L1029 HydrophobicContact CB-CD2 4.02Å; P119-L1029 HydrophobicContact CB-CG 4.38Å; P119-L1029 HydrophobicContact CG-CD1 3.65Å; P119-L1029 HydrophobicContact CG-CD2 3.52Å; P119-L1029 HydrophobicContact CG-CG 4.22Å
120N81.3Confident76.9Confident22 Ų2230.5 Ų30.512%0.11815%0.149CC..THydrogen-bonded Turntrans48.442.5-178.4-59.7-43.5000113.4N97 E98 V99 E941 P1032N97-N120 WeakPolarHBondContact O-CB 3.39Å; N97-N120 PolarHBondContact O-ND2 3.22Å; E98-N120 WeakPolarHBondContact CA-O 3.2Å; E98-N120 HydrophobicContact CB-CB 4.05Å; E98-N120 WeakPolarHBondContact CB-O 3Å; V99-N120 PolarHBondContact N-O 2.7Å; V99-N120 VanDerWaalsContact N-O 3.13Å; N120-E941 PolarHBondContact N-OE1 2.95Å; N120-E941 PolarHBondContact OD1-OE1 2.93Å; N120-P1032 VanDerWaalsContact OD1-CB 3.28Å; N120-P1032 WeakPolarHBondContact OD1-CB 3.34Å
121L84.8Confident75.8Confident6 Ų634.1 Ų34.13%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-75.3131.6174.9-179.969.2000110.9V99 L101 V115 W118 P119 I123 L940V99-L121 HydrophobicContact CB-CD1 4Å; V99-L121 HydrophobicContact CG1-CD1 4.01Å; V99-L121 CarbonylContact O-C 3.56Å; V99-L121 WeakPolarHBondContact O-CA 3.11Å; L101-L121 HydrophobicContact CB-CD1 4.28Å; V115-L121 HydrophobicContact CB-CD2 4.31Å; V115-L121 HydrophobicContact CG2-CD2 4.07Å; V115-L121 WeakPolarHBondContact O-CD2 2.87Å; W118-L121 HydrophobicContact CB-CB 4.45Å; W118-L121 HydrophobicContact CE3-CD1 4.28Å; W118-L121 WeakPolarHBondContact O-CB 3.5Å; P119-L121 PolarHBondContact O-N 3.07Å; L121-I123 HydrophobicContact CD1-CG1 4.47Å; L121-I123 HydrophobicContact CD2-CD1 3.57Å; L121-I123 HydrophobicContact CD2-CG1 3.74Å; L121-I123 HydrophobicContact CG-CD1 4.15Å; L121-I123 HydrophobicContact CG-CG1 3.74Å; L121-L940 HydrophobicContact CB-CD1 4.45Å
122R82.2Confident74.9Confident12 Ų1239.3 Ų39.35%0.04520%0.204CC..EExtended strand (participates in β ladder)trans-116.2130.5169-168.4-176.1-54170.510.2109.4E98 V99 I100 L101 H124 R933 M934 W1066E98-R122 IonicContact OE1-NH2 2.61Å; E98-R122 PolarHBondContact OE1-NH2 2.9Å; E98-R122 IonicContact OE2-CZ 3.63Å; E98-R122 IonicContact OE2-NH2 3.83Å; E98-R122 PolarHBondContact OE2-NH2 3.21Å; V99-R122 PolarHBondContact O-N 3.45Å; I100-R122 WeakPolarHBondContact CA-O 3.41Å; I100-R122 HydrophobicContact CG1-CB 4.31Å; L101-R122 PolarHBondContact N-O 3.28Å; R122-H124 WeakPolarHBondContact CD-NE2 3.05Å; R122-R933 WeakPolarHBondContact CG-O 3.44Å; R122-M934 HydrophobicContact CG-CB 4.26Å; R122-M934 HydrophobicContact CG-CG 4.26Å; R122-W1066 VanDerWaalsContact NH2-CE3 3.31Å; R122-W1066 VanDerWaalsContact NH2-CZ2 3.35Å
123I81.8Confident74.7Confident14 Ų1440.7 Ų40.77%0.07221%0.21CC..EExtended strand (participates in β ladder)trans-120.1117.1-172.3-46.5-178000107.9L101 F108 L121 Y125 R933L101-I123 HydrophobicContact CD2-CG2 4.47Å; L101-I123 CarbonylContact O-C 3.59Å; L101-I123 WeakPolarHBondContact O-CA 3.5Å; F108-I123 HydrophobicContact CD2-CG2 3.88Å; F108-I123 HydrophobicContact CE2-CD1 3.65Å; F108-I123 HydrophobicContact CE2-CG2 3.74Å; F108-I123 HydrophobicContact CZ-CD1 4.11Å; L121-I123 HydrophobicContact CD1-CG1 4.47Å; L121-I123 HydrophobicContact CD2-CD1 3.57Å; L121-I123 HydrophobicContact CD2-CG1 3.74Å; L121-I123 HydrophobicContact CG-CD1 4.15Å; L121-I123 HydrophobicContact CG-CG1 3.74Å; I123-Y125 HydrophobicContact CG2-CD1 3.95Å; I123-R933 PolarHBondContact N-O 3.21Å; I123-R933 CarbonylContact O-C 3.47Å; I123-R933 WeakPolarHBondContact O-CA 3.11Å; I123-R933 WeakPolarHBondContact O-CB 3.31Å; I123-R933 VanDerWaalsContact O-O 3.06Å
124H80.5Confident74.5Confident14 Ų1443.5 Ų43.57%0.06523%0.23CC..EExtended strand (participates in β ladder)trans-106.8112.8172-64.7-85.5000108L101 Y102 C103 R122 V144L101-H124 PolarHBondContact O-N 3.27Å; Y102-H124 VanDerWaalsContact CA-O 3.25Å; Y102-H124 WeakPolarHBondContact CA-O 3.31Å; Y102-H124 HydrophobicContact CD2-CB 4.07Å; C103-H124 PolarHBondContact N-O 3.19Å; R122-H124 WeakPolarHBondContact CD-NE2 3.05Å; H124-V144 HydrophobicContact CB-CG1 3.92Å; H124-V144 HydrophobicContact CB-CG2 4.08Å
125Y74.1Confident74.3Confident33 Ų3349.5 Ų49.513%0.12926%0.259CS..EExtended strand (participates in β ladder)trans-137.5156.4172.171.9-86.2000110.7C103 Y105 I123 N127 E973C103-Y125 WeakPolarHBondContact O-CA 3.33Å; C103-Y125 WeakPolarHBondContact O-CB 3.12Å; Y105-Y125 HydrophobicContact CD2-CD2 4.18Å; Y105-Y125 AromaticContact CD2-CE2 3.93Å; Y105-Y125 HydrophobicContact CD2-CE2 3.93Å; I123-Y125 HydrophobicContact CG2-CD1 3.95Å; Y125-N127 PolarHBondContact O-N 3.22Å; Y125-E973 PolarHBondContact OH-OE2 2.65Å
126V65.6Low73.8Confident8 Ų855 Ų555%0.04828%0.283CS..  trans-80.7116.7177.8179.90000108.1Q137 M140V126-Q137 HydrophobicContact CB-CG 4.33Å; V126-Q137 HydrophobicContact CG1-CG 3.71Å; V126-Q137 HydrophobicContact CG2-CB 4.19Å; V126-Q137 HydrophobicContact CG2-CG 3.89Å; V126-M140 HydrophobicContact CG2-SD 4.24Å
127N61.9Low73.5Confident42 Ų4257.3 Ų57.323%0.22529%0.294CS..  trans-61.5151.8175.8-163.7-14.2000111Y125 N129 Y130Y125-N127 PolarHBondContact O-N 3.22Å; N127-N129 PolarHBondContact O-N 2.99Å; N127-Y130 HydrophobicContact CB-CD2 4.37Å; N127-Y130 PolarHBondContact O-N 3.14Å
128E58.6Low73.4Confident98 Ų9860.1 Ų60.146%0.45831%0.307SS..G310 helixtrans-49.9-33.7-178.5-71.2-168.6153.900112.7Y105 Y130 M131Y105-E128 HydrophobicContact CD1-CG 4.08Å; Y105-E128 HydrophobicContact CD2-CG 4.06Å; Y105-E128 HydrophobicContact CE1-CG 3.86Å; Y105-E128 WeakPolarHBondContact CE1-OE1 3.37Å; Y105-E128 HydrophobicContact CE2-CG 3.83Å; Y105-E128 HydrophobicContact CG-CG 4.19Å; Y105-E128 PolarHBondContact OH-OE1 3.01Å; E128-Y130 PolarHBondContact O-N 3.18Å; E128-Y130 VanDerWaalsContact O-N 3.17Å; E128-M131 VanDerWaalsContact O-CB 3.32Å; E128-M131 WeakPolarHBondContact O-CB 3.46Å; E128-M131 WeakPolarHBondContact O-CG 3.44Å; E128-M131 PolarHBondContact O-N 2.75Å; E128-M131 VanDerWaalsContact O-N 3.09Å
129N58.7Low73.2Confident133 Ų13364.9 Ų64.971%0.71133%0.332SS*.G310 helixtrans-60.7-23.9179.9-67-25.1000114.4N127N127-N129 PolarHBondContact O-N 2.99Å
130Y56.3Low73.2Confident124 Ų12466.6 Ų66.649%0.48634%0.34SS..G310 helixtrans-102.18179.5-61.6-78.4000112.9N127 E128 S132 D133 K136 Q137N127-Y130 HydrophobicContact CB-CD2 4.37Å; N127-Y130 PolarHBondContact O-N 3.14Å; E128-Y130 PolarHBondContact O-N 3.18Å; E128-Y130 VanDerWaalsContact O-N 3.17Å; Y130-S132 PolarHBondContact O-N 2.99Å; Y130-S132 VanDerWaalsContact O-N 3.13Å; Y130-D133 PolarHBondContact O-N 3.26Å; Y130-K136 HydrophobicContact CD1-CD 4.44Å; Y130-Q137 PolarHBondContact O-NE2 2.73Å
131M55Low73.4Confident106 Ų10665.8 Ų65.852%0.52234%0.336SS..THydrogen-bonded Turntrans-59.6-25.6-178.9-82.5-167.8137.200114.1Y105 E128 D133 Q137Y105-M131 HydrophobicContact CD1-CE 4.23Å; E128-M131 VanDerWaalsContact O-CB 3.32Å; E128-M131 WeakPolarHBondContact O-CB 3.46Å; E128-M131 WeakPolarHBondContact O-CG 3.44Å; E128-M131 PolarHBondContact O-N 2.75Å; E128-M131 VanDerWaalsContact O-N 3.09Å; M131-D133 VanDerWaalsContact C-N 3.35Å; M131-Q137 PolarHBondContact O-NE2 3.09Å
132S62.6Low73.5Confident117 Ų11766.7 Ų66.782%0.81834%0.341SS*.THydrogen-bonded Turntrans-80-11.7-177.557.50000114.8Y130Y130-S132 PolarHBondContact O-N 2.99Å; Y130-S132 VanDerWaalsContact O-N 3.13Å
133D75.4Confident73.6Confident45 Ų4569.3 Ų69.324%0.24136%0.361CS..  trans-12187.5-169.1-166.4-18.9000111.3Y130 M131 E135 K136 Q137Y130-D133 PolarHBondContact O-N 3.26Å; M131-D133 VanDerWaalsContact C-N 3.35Å; D133-E135 PolarHBondContact O-N 2.73Å; D133-E135 PolarHBondContact OD1-N 2.68Å; D133-K136 HydrophobicContact CB-CB 4.35Å; D133-K136 HydrophobicContact CB-CD 4.46Å; D133-K136 HydrophobicContact CB-CG 4.49Å; D133-K136 PolarHBondContact O-N 3.3Å; D133-K136 PolarHBondContact OD1-N 2.87Å; D133-K136 VanDerWaalsContact OD2-CD 3.25Å; D133-K136 WeakPolarHBondContact OD2-CD 3.46Å; D133-K136 VanDerWaalsContact OD2-CE 3.28Å; D133-K136 WeakPolarHBondContact OD2-CE 3.42Å; D133-K136 WeakPolarHBondContact OD2-CG 3.23Å; D133-K136 IonicContact OD2-NZ 3.89Å; D133-K136 PolarHBondContact OD2-NZ 3.04Å; D133-Q137 WeakPolarHBondContact O-CG 3.18Å; D133-Q137 PolarHBondContact O-N 2.63Å
134S74.7Confident73.7Confident94 Ų9469.1 Ų69.166%0.65736%0.361SS*.Hα-helixtrans-61.5-29.1-177.6-172.60000113.5Q137 E138S134-Q137 PolarHBondContact O-N 3.44Å; S134-E138 PolarHBondContact O-N 2.79Å
135E80.3Confident74.1Confident148 Ų14868.5 Ų68.569%0.69236%0.358SS*.Hα-helixtrans-70.5-45.6-178.5-170.6174.8-168.800110.4D133 Q137 E138 D139D133-E135 PolarHBondContact O-N 2.73Å; D133-E135 PolarHBondContact OD1-N 2.68Å; E135-Q137 VanDerWaalsContact C-N 3.27Å; E135-Q137 PolarHBondContact O-N 3.43Å; E135-E138 PolarHBondContact O-N 2.97Å; E135-D139 PolarHBondContact O-N 3.16Å
136K77.7Confident74.6Confident116 Ų11669.3 Ų69.350%0.50436%0.363SS..Hα-helixtrans-62.8-32.1174.9-73.4-171.7-175.1119.20113.7Y130 D133 M140Y130-K136 HydrophobicContact CD1-CD 4.44Å; D133-K136 HydrophobicContact CB-CB 4.35Å; D133-K136 HydrophobicContact CB-CD 4.46Å; D133-K136 HydrophobicContact CB-CG 4.49Å; D133-K136 PolarHBondContact O-N 3.3Å; D133-K136 PolarHBondContact OD1-N 2.87Å; D133-K136 VanDerWaalsContact OD2-CD 3.25Å; D133-K136 WeakPolarHBondContact OD2-CD 3.46Å; D133-K136 VanDerWaalsContact OD2-CE 3.28Å; D133-K136 WeakPolarHBondContact OD2-CE 3.42Å; D133-K136 WeakPolarHBondContact OD2-CG 3.23Å; D133-K136 IonicContact OD2-NZ 3.89Å; D133-K136 PolarHBondContact OD2-NZ 3.04Å; K136-M140 VanDerWaalsContact O-CB 3.3Å; K136-M140 WeakPolarHBondContact O-CB 3.36Å; K136-M140 PolarHBondContact O-N 2.8Å
137Q77.2Confident75.3Confident48 Ų4871.6 Ų71.622%0.22438%0.379CS..Hα-helixtrans-66.2-44.9177.2-66.9-176.712.100111.2V126 Y130 M131 D133 S134 E135 M140 K141V126-Q137 HydrophobicContact CB-CG 4.33Å; V126-Q137 HydrophobicContact CG1-CG 3.71Å; V126-Q137 HydrophobicContact CG2-CB 4.19Å; V126-Q137 HydrophobicContact CG2-CG 3.89Å; Y130-Q137 PolarHBondContact O-NE2 2.73Å; M131-Q137 PolarHBondContact O-NE2 3.09Å; D133-Q137 WeakPolarHBondContact O-CG 3.18Å; D133-Q137 PolarHBondContact O-N 2.63Å; S134-Q137 PolarHBondContact O-N 3.44Å; E135-Q137 VanDerWaalsContact C-N 3.27Å; E135-Q137 PolarHBondContact O-N 3.43Å; Q137-M140 PolarHBondContact O-N 2.93Å; Q137-K141 WeakPolarHBondContact O-CB 3.37Å; Q137-K141 PolarHBondContact O-N 3.25Å
138E83.4Confident76.3Confident77 Ų7770 Ų7036%0.3637%0.372SS..Hα-helixtrans-65.8-46.1177.3-164.860.8-154.700111S134 E135 M140 K141 V142S134-E138 PolarHBondContact O-N 2.79Å; E135-E138 PolarHBondContact O-N 2.97Å; E138-M140 VanDerWaalsContact C-N 3.29Å; E138-M140 PolarHBondContact O-N 3.21Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 2.79Å; E138-K141 VanDerWaalsContact O-N 3.1Å; E138-K141 WeakPolarHBondContact OE1-CE 3.06Å; E138-K141 IonicContact OE1-NZ 3.01Å; E138-K141 PolarHBondContact OE1-NZ 2.73Å; E138-K141 WeakPolarHBondContact OE2-CE 3.34Å; E138-K141 IonicContact OE2-NZ 3.28Å; E138-K141 PolarHBondContact OE2-NZ 2.97Å; E138-V142 WeakPolarHBondContact O-CG2 3.47Å; E138-V142 PolarHBondContact O-N 3.21Å
139D83.3Confident77.6Confident100 Ų10065.4 Ų65.454%0.53535%0.35SS..Hα-helixtrans-57.5-42.4175.3-78-14.1000112E135 S143E135-D139 PolarHBondContact O-N 3.16Å; D139-S143 WeakPolarHBondContact O-CB 3.35Å; D139-S143 PolarHBondContact O-N 2.84Å
140M81Confident78.6Confident41 Ų4161.8 Ų61.820%0.20234%0.335CS..Hα-helixtrans-65.1-43.6175.7-178.8175.6171.400111.4V126 K136 Q137 E138 V142 S143 V144V126-M140 HydrophobicContact CG2-SD 4.24Å; K136-M140 VanDerWaalsContact O-CB 3.3Å; K136-M140 WeakPolarHBondContact O-CB 3.36Å; K136-M140 PolarHBondContact O-N 2.8Å; Q137-M140 PolarHBondContact O-N 2.93Å; E138-M140 VanDerWaalsContact C-N 3.29Å; E138-M140 PolarHBondContact O-N 3.21Å; M140-V142 PolarHBondContact O-N 3.07Å; M140-S143 PolarHBondContact O-N 3.47Å; M140-V144 HydrophobicContact CG-CG2 4.27Å; M140-V144 WeakPolarHBondContact O-CB 3.21Å; M140-V144 VanDerWaalsContact O-CG2 3.24Å; M140-V144 WeakPolarHBondContact O-CG2 3.49Å; M140-V144 PolarHBondContact O-N 3.25Å
141K86.7Confident79.5Confident5 Ų562.5 Ų62.52%0.02235%0.347CS..Hα-helixtrans-56.4-51.6177.1-169.8176.262.6177.40110.9D51 F91 Y102 Q137 E138 V144 F145 L180D51-K141 IonicContact OD1-NZ 2.9Å; D51-K141 PolarHBondContact OD1-NZ 2.86Å; D51-K141 WeakPolarHBondContact OD2-CD 3.49Å; D51-K141 WeakPolarHBondContact OD2-CE 3.37Å; D51-K141 IonicContact OD2-NZ 3.21Å; D51-K141 PolarHBondContact OD2-NZ 2.74Å; F91-K141 HydrophobicContact CD1-CG 4.38Å; F91-K141 HydrophobicContact CE1-CG 3.82Å; Y102-K141 HydrophobicContact CD1-CD 4.38Å; Y102-K141 HydrophobicContact CD1-CG 4.04Å; Y102-K141 HydrophobicContact CE1-CB 4.12Å; Y102-K141 HydrophobicContact CE1-CD 3.7Å; Y102-K141 HydrophobicContact CE1-CG 3.56Å; Y102-K141 HydrophobicContact CE2-CB 3.94Å; Y102-K141 HydrophobicContact CE2-CG 4.1Å; Y102-K141 WeakPolarHBondContact OH-CB 3.28Å; Q137-K141 WeakPolarHBondContact O-CB 3.37Å; Q137-K141 PolarHBondContact O-N 3.25Å; E138-K141 WeakPolarHBondContact O-CB 3.4Å; E138-K141 PolarHBondContact O-N 2.79Å; E138-K141 VanDerWaalsContact O-N 3.1Å; E138-K141 WeakPolarHBondContact OE1-CE 3.06Å; E138-K141 IonicContact OE1-NZ 3.01Å; E138-K141 PolarHBondContact OE1-NZ 2.73Å; E138-K141 WeakPolarHBondContact OE2-CE 3.34Å; E138-K141 IonicContact OE2-NZ 3.28Å; E138-K141 PolarHBondContact OE2-NZ 2.97Å; K141-V144 PolarHBondContact O-N 3.43Å; K141-F145 WeakPolarHBondContact O-CB 3.39Å; K141-F145 PolarHBondContact O-N 3.1Å; K141-L180 HydrophobicContact CD-CD1 4.36Å; K141-L180 HydrophobicContact CG-CD1 4.17Å
142V87Confident80.9Confident25 Ų2559.4 Ų59.415%0.15233%0.331CS..Hα-helixtrans-63.8-43.4179.41790000110.9E138 M140 V144 F145 E146 L180 S183E138-V142 WeakPolarHBondContact O-CG2 3.47Å; E138-V142 PolarHBondContact O-N 3.21Å; M140-V142 PolarHBondContact O-N 3.07Å; V142-V144 PolarHBondContact O-N 2.94Å; V142-F145 PolarHBondContact O-N 3.07Å; V142-E146 WeakPolarHBondContact O-CB 3.37Å; V142-E146 PolarHBondContact O-N 2.99Å; V142-L180 HydrophobicContact CG2-CD1 4.31Å; V142-S183 WeakPolarHBondContact CG2-OG 3.07Å
143S84.6Confident82Confident67 Ų6761.2 Ų61.247%0.46932%0.324SS..Hα-helixtrans-64-40.5178.6-177.20000113.1D139 M140 S147D139-S143 WeakPolarHBondContact O-CB 3.35Å; D139-S143 PolarHBondContact O-N 2.84Å; M140-S143 PolarHBondContact O-N 3.47Å; S143-S147 VanDerWaalsContact O-CB 3.31Å; S143-S147 WeakPolarHBondContact O-CB 3.32Å; S143-S147 PolarHBondContact O-N 3.21Å; S143-S147 PolarHBondContact O-OG 2.87Å
144V83.9Confident82.8Confident10 Ų1063.5 Ų63.56%0.06133%0.33CS..Hα-helixtrans-65.9-44.3175.2172.80000110.1F91 H124 M140 K141 V142 S147 T148F91-V144 HydrophobicContact CE2-CG1 4.37Å; F91-V144 HydrophobicContact CZ-CB 4.32Å; F91-V144 HydrophobicContact CZ-CG1 3.89Å; H124-V144 HydrophobicContact CB-CG1 3.92Å; H124-V144 HydrophobicContact CB-CG2 4.08Å; M140-V144 HydrophobicContact CG-CG2 4.27Å; M140-V144 WeakPolarHBondContact O-CB 3.21Å; M140-V144 VanDerWaalsContact O-CG2 3.24Å; M140-V144 WeakPolarHBondContact O-CG2 3.49Å; M140-V144 PolarHBondContact O-N 3.25Å; K141-V144 PolarHBondContact O-N 3.43Å; V142-V144 PolarHBondContact O-N 2.94Å; V144-S147 PolarHBondContact O-OG 2.91Å; V144-S147 VanDerWaalsContact O-OG 3.06Å; V144-T148 VanDerWaalsContact O-CB 3.23Å; V144-T148 WeakPolarHBondContact O-CB 3.12Å; V144-T148 PolarHBondContact O-N 3.2Å; V144-T148 PolarHBondContact O-OG1 3.21Å
145F88.9Confident83.6Confident1 Ų159 Ų590%0.00430%0.298CS..Hα-helixtrans-61.9-44.7177.6-170.1-105.6000111.7V45 I47 F91 K141 V142 T148 L149 L180 I181 Y184 F197V45-F145 HydrophobicContact CG1-CE2 4.14Å; I47-F145 HydrophobicContact CD1-CE2 3.83Å; I47-F145 HydrophobicContact CD1-CZ 3.84Å; I47-F145 HydrophobicContact CG1-CE2 4.29Å; F91-F145 HydrophobicContact CD2-CD2 4.14Å; F91-F145 HydrophobicContact CE1-CB 4.32Å; F91-F145 HydrophobicContact CE1-CD2 4.41Å; F91-F145 HydrophobicContact CE2-CD2 4.03Å; F91-F145 HydrophobicContact CG-CD2 4.4Å; F91-F145 HydrophobicContact CZ-CB 3.99Å; F91-F145 HydrophobicContact CZ-CD2 4.16Å; K141-F145 WeakPolarHBondContact O-CB 3.39Å; K141-F145 PolarHBondContact O-N 3.1Å; V142-F145 PolarHBondContact O-N 3.07Å; F145-T148 PolarHBondContact O-N 2.7Å; F145-L149 HydrophobicContact CD1-CD1 4.02Å; F145-L149 HydrophobicContact CD2-CD1 4.13Å; F145-L149 HydrophobicContact CE1-CD1 3.49Å; F145-L149 VanDerWaalsContact CE1-CD1 3.49Å; F145-L149 HydrophobicContact CE2-CD1 3.61Å; F145-L149 HydrophobicContact CG-CD1 4.32Å; F145-L149 HydrophobicContact CZ-CD1 3.26Å; F145-L149 PolarHBondContact O-N 2.97Å; F145-L149 VanDerWaalsContact O-N 3.1Å; F145-L180 HydrophobicContact CB-CD1 4.46Å; F145-L180 HydrophobicContact CD1-CD2 4.45Å; F145-L180 HydrophobicContact CD1-CG 4.14Å; F145-L180 HydrophobicContact CD2-CD2 3.82Å; F145-L180 HydrophobicContact CD2-CG 4.39Å; F145-L180 HydrophobicContact CE1-CG 4.32Å; F145-L180 HydrophobicContact CE2-CD2 3.99Å; F145-L180 HydrophobicContact CG-CD1 4.44Å; F145-L180 HydrophobicContact CG-CD2 4.07Å; F145-L180 HydrophobicContact CG-CG 4.17Å; F145-L180 HydrophobicContact CZ-CD2 4.37Å; F145-I181 HydrophobicContact CE1-CG1 4.45Å; F145-I181 HydrophobicContact CZ-CG1 4.49Å; F145-Y184 HydrophobicContact CD1-CD2 4.23Å; F145-F197 HydrophobicContact CE1-CE2 4.44Å
146E84.7Confident84.2Confident50 Ų5052 Ų5223%0.23427%0.265CS..Hα-helixtrans-64.1-52.7179-171.8-159.8166.300112.2V142 T148 L149 S150 Y184V142-E146 WeakPolarHBondContact O-CB 3.37Å; V142-E146 PolarHBondContact O-N 2.99Å; E146-T148 PolarHBondContact O-N 3.09Å; E146-L149 PolarHBondContact O-N 3.43Å; E146-L149 VanDerWaalsContact O-N 3.14Å; E146-S150 WeakPolarHBondContact O-CB 3.29Å; E146-S150 PolarHBondContact O-N 3.2Å; E146-Y184 HydrophobicContact CB-CD2 3.81Å; E146-Y184 HydrophobicContact CB-CE2 3.87Å; E146-Y184 HydrophobicContact CG-CD2 3.83Å; E146-Y184 HydrophobicContact CG-CE2 3.47Å; E146-Y184 VanDerWaalsContact CG-CE2 3.47Å
147S80.5Confident84.9Confident56 Ų5646.5 Ų46.539%0.39224%0.242SC..Hα-helixtrans-59.4-37.6-179.9590000111.7S143 V144 S150S143-S147 VanDerWaalsContact O-CB 3.31Å; S143-S147 WeakPolarHBondContact O-CB 3.32Å; S143-S147 PolarHBondContact O-N 3.21Å; S143-S147 PolarHBondContact O-OG 2.87Å; V144-S147 PolarHBondContact O-OG 2.91Å; V144-S147 VanDerWaalsContact O-OG 3.06Å; S147-S150 PolarHBondContact O-OG 3.33Å
148T83Confident85.5Confident10 Ų1044.2 Ų44.26%0.06123%0.231CC..Hα-helixtrans-64.2-43176.2-61.70000112.3I43 C93 I100 V144 F145 E146 F152I43-T148 HydrophobicContact CD1-CG2 3.95Å; C93-T148 HydrophobicContact CB-CG2 3.9Å; I100-T148 HydrophobicContact CD1-CG2 3.37Å; V144-T148 VanDerWaalsContact O-CB 3.23Å; V144-T148 WeakPolarHBondContact O-CB 3.12Å; V144-T148 PolarHBondContact O-N 3.2Å; V144-T148 PolarHBondContact O-OG1 3.21Å; F145-T148 PolarHBondContact O-N 2.7Å; E146-T148 PolarHBondContact O-N 3.09Å; T148-F152 WeakPolarHBondContact O-CD2 3.48Å; T148-F152 WeakPolarHBondContact O-CE2 3.29Å
149L85.1Confident85.7Confident0 Ų042.8 Ų42.80%022%0.223CC..Hα-helixtrans-95.1-10.9-173-65.1178000114.9I43 V45 F145 E146 N151 F152 I155 F197 R201I43-L149 HydrophobicContact CD1-CD2 3.84Å; I43-L149 HydrophobicContact CG2-CD2 3.85Å; V45-L149 HydrophobicContact CG2-CD2 4.01Å; F145-L149 HydrophobicContact CD1-CD1 4.02Å; F145-L149 HydrophobicContact CD2-CD1 4.13Å; F145-L149 HydrophobicContact CE1-CD1 3.49Å; F145-L149 VanDerWaalsContact CE1-CD1 3.49Å; F145-L149 HydrophobicContact CE2-CD1 3.61Å; F145-L149 HydrophobicContact CG-CD1 4.32Å; F145-L149 HydrophobicContact CZ-CD1 3.26Å; F145-L149 PolarHBondContact O-N 2.97Å; F145-L149 VanDerWaalsContact O-N 3.1Å; E146-L149 PolarHBondContact O-N 3.43Å; E146-L149 VanDerWaalsContact O-N 3.14Å; L149-N151 PolarHBondContact O-N 3.06Å; L149-N151 VanDerWaalsContact O-N 3.08Å; L149-F152 PolarHBondContact O-N 3.4Å; L149-F152 VanDerWaalsContact O-N 3.17Å; L149-I155 HydrophobicContact CD1-CD1 4.29Å; L149-I155 HydrophobicContact CD2-CD1 3.92Å; L149-F197 HydrophobicContact CD1-CE2 3.93Å; L149-F197 HydrophobicContact CD1-CZ 3.95Å; L149-R201 PolarHBondContact O-NE 3.2Å; L149-R201 PolarHBondContact O-NH2 3.09Å
150S78.7Confident85.4Confident58 Ų5839.8 Ų39.841%0.40621%0.208SC..THydrogen-bonded Turntrans-48.6-37.4-175.258.10000114.9E146 S147E146-S150 WeakPolarHBondContact O-CB 3.29Å; E146-S150 PolarHBondContact O-N 3.2Å; S147-S150 PolarHBondContact O-OG 3.33Å
151N77Confident84.7Confident139 Ų13939.1 Ų39.174%0.74321%0.205SC*.THydrogen-bonded Turntrans-99.8-1.3-173.6-68.1-30.8000114.9L149L149-N151 PolarHBondContact O-N 3.06Å; L149-N151 VanDerWaalsContact O-N 3.08Å
152F84.5Confident83.3Confident40 Ų4040.8 Ų40.818%0.17522%0.217CC..  trans-105.6137.5-172.3-59.7-54.5000112.3D42 I43 R95 T148 L149 R201D42-F152 HydrophobicContact CB-CB 3.95Å; D42-F152 HydrophobicContact CB-CD1 3.65Å; D42-F152 HydrophobicContact CB-CG 4.03Å; I43-F152 HydrophobicContact CB-CD2 4.41Å; I43-F152 HydrophobicContact CD1-CD2 4.1Å; I43-F152 HydrophobicContact CD1-CE2 4.16Å; I43-F152 HydrophobicContact CG2-CB 4.23Å; I43-F152 HydrophobicContact CG2-CD2 4.29Å; I43-F152 HydrophobicContact CG2-CG 4.39Å; R95-F152 VanDerWaalsContact CD-CZ 3.5Å; T148-F152 WeakPolarHBondContact O-CD2 3.48Å; T148-F152 WeakPolarHBondContact O-CE2 3.29Å; L149-F152 PolarHBondContact O-N 3.4Å; L149-F152 VanDerWaalsContact O-N 3.17Å; F152-R201 WeakPolarHBondContact O-CD 3.49Å; F152-R201 PolarHBondContact O-NE 2.87Å
153K85.7Confident81.8Confident155 Ų15545.6 Ų45.667%0.67424%0.238SC*.SBendtrans-104.3-34.1-175.9-67-175.8-179.1-179.40112D42 R201 E202D42-K153 PolarHBondContact OD2-N 3.07Å; K153-R201 CarbonylContact O-C 3.57Å; K153-R201 WeakPolarHBondContact O-CA 3.23Å; K153-E202 PolarHBondContact O-N 3.16Å
154R91.1Very high80.1Confident94 Ų9444.9 Ų44.936%0.35523%0.233SC..EExtended strand (participates in β ladder)trans-111.8105.5-177.5-70.8-174.2160.7-170.2-7.9110.7N40 D42 E202N40-R154 WeakPolarHBondContact O-CD 3.42Å; D42-R154 WeakPolarHBondContact CB-O 3.47Å; D42-R154 PolarHBondContact N-O 3.17Å; D42-R154 PolarHBondContact OD2-N 3.25Å; R154-E202 WeakPolarHBondContact CA-O 3.32Å; R154-E202 HydrophobicContact CG-CB 4.28Å; R154-E202 IonicContact CZ-OE2 3.62Å; R154-E202 VanDerWaalsContact CZ-OE2 3.28Å; R154-E202 IonicContact NE-OE2 2.91Å; R154-E202 PolarHBondContact NE-OE2 3.45Å; R154-E202 IonicContact NH2-OE1 2.88Å; R154-E202 IonicContact NH2-OE2 3.86Å; R154-E202 PolarHBondContact NH2-OE2 3.44Å
155I91.9Very high78.3Confident0 Ų049.7 Ų49.70%026%0.258CS..EExtended strand (participates in β ladder)trans-106.9127.7-178.1-58.2-175.9000109I43 V45 L149 I157 F197 E202 V203 I204I43-I155 HydrophobicContact CG2-CB 4.34Å; I43-I155 HydrophobicContact CG2-CG1 3.87Å; I43-I155 HydrophobicContact CG2-CG2 4.2Å; V45-I155 HydrophobicContact CB-CG2 4.2Å; V45-I155 HydrophobicContact CG2-CG2 3.66Å; L149-I155 HydrophobicContact CD1-CD1 4.29Å; L149-I155 HydrophobicContact CD2-CD1 3.92Å; I155-I157 HydrophobicContact CG2-CD1 4.06Å; I155-I157 HydrophobicContact CG2-CG1 3.81Å; I155-F197 HydrophobicContact CD1-CE1 3.84Å; I155-F197 HydrophobicContact CD1-CE2 4.25Å; I155-F197 HydrophobicContact CD1-CZ 3.34Å; I155-E202 PolarHBondContact N-O 3.12Å; I155-V203 HydrophobicContact CB-CG2 4.44Å; I155-V203 WeakPolarHBondContact O-CA 3.4Å; I155-I204 PolarHBondContact O-N 3.3Å
156V93.1Very high76.3Confident0 Ų056.1 Ų56.10%028%0.283CS..EExtended strand (participates in β ladder)trans-100.5125.6177174.20000108.5M36 I43 F44 V45 I204 V206M36-V156 HydrophobicContact CG-CG2 4.39Å; I43-V156 PolarHBondContact O-N 2.98Å; F44-V156 CarbonylContact C-O 3.6Å; F44-V156 WeakPolarHBondContact CA-O 3.34Å; F44-V156 HydrophobicContact CD2-CB 4.27Å; F44-V156 HydrophobicContact CD2-CG1 3.54Å; F44-V156 HydrophobicContact CE2-CG1 3.93Å; F44-V156 HydrophobicContact CG-CG1 4.29Å; V45-V156 PolarHBondContact N-O 3.38Å; V156-I204 WeakPolarHBondContact CA-O 3.32Å; V156-V206 HydrophobicContact CG1-CB 3.9Å; V156-V206 HydrophobicContact CG1-CG1 3.42Å; V156-V206 VanDerWaalsContact CG1-CG1 3.42Å; V156-V206 HydrophobicContact CG1-CG2 3.19Å
157I92.7Very high74.7Confident1 Ų161.1 Ų61.11%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-131.6135.1-179.1-59.2-174.2000108.7V45 I155 Y159 W178 V203 I204 D205 V206V45-I157 HydrophobicContact CB-CG1 4.25Å; I155-I157 HydrophobicContact CG2-CD1 4.06Å; I155-I157 HydrophobicContact CG2-CG1 3.81Å; I157-Y159 PolarHBondContact O-N 3.32Å; I157-Y159 VanDerWaalsContact O-N 3.16Å; I157-W178 HydrophobicContact CD1-CZ3 4.43Å; I157-W178 HydrophobicContact CG2-CH2 3.68Å; I157-W178 HydrophobicContact CG2-CZ3 4.07Å; I157-V203 HydrophobicContact CB-CG1 4.47Å; I157-V203 HydrophobicContact CD1-CG1 3.81Å; I157-V203 HydrophobicContact CG1-CG1 4.09Å; I157-I204 PolarHBondContact N-O 2.71Å; I157-D205 VanDerWaalsContact O-CA 3.27Å; I157-D205 WeakPolarHBondContact O-CA 3.14Å; I157-V206 PolarHBondContact O-N 3.37Å
158P90Very high73.6Confident0 Ų065.2 Ų65.20%032%0.322CS..  trans-81.188.6167.233.1-30.8000108.9F44 V45 N55 G57 S58 A61 L210F44-P158 HydrophobicContact CE1-CG 3.8Å; F44-P158 HydrophobicContact CZ-CB 4.17Å; F44-P158 HydrophobicContact CZ-CG 3.83Å; V45-P158 VanDerWaalsContact O-CD 3.27Å; V45-P158 WeakPolarHBondContact O-CD 3.46Å; N55-P158 PolarHBondContact OD1-O 2.98Å; G57-P158 CarbonylContact C-O 3.56Å; G57-P158 VanDerWaalsContact C-O 3.27Å; G57-P158 VanDerWaalsContact CA-O 3.25Å; G57-P158 WeakPolarHBondContact CA-O 3.27Å; S58-P158 PolarHBondContact N-O 3.43Å; A61-P158 HydrophobicContact CB-CG 3.94Å; P158-L210 HydrophobicContact CB-CD2 3.46Å; P158-L210 VanDerWaalsContact CB-CD2 3.46Å; P158-L210 HydrophobicContact CG-CD2 4.12Å
159Y85.9Confident72.9Confident47 Ų4773.1 Ų73.118%0.18436%0.36CS..  trans-86.5-50.2-179.3-174-87.3000111.6N55 I157 F170 M174 I175 W178 D205N55-Y159 PolarHBondContact ND2-O 3.09Å; I157-Y159 PolarHBondContact O-N 3.32Å; I157-Y159 VanDerWaalsContact O-N 3.16Å; Y159-F170 AromaticContact CD1-CD2 3.55Å; Y159-F170 HydrophobicContact CD1-CD2 3.55Å; Y159-F170 AromaticContact CD1-CE2 3.94Å; Y159-F170 HydrophobicContact CD1-CE2 3.94Å; Y159-F170 HydrophobicContact CD2-CD2 4.33Å; Y159-F170 AromaticContact CD2-CE2 3.86Å; Y159-F170 HydrophobicContact CD2-CE2 3.86Å; Y159-F170 HydrophobicContact CE1-CD2 4.2Å; Y159-F170 AromaticContact CG-CD2 3.63Å; Y159-F170 HydrophobicContact CG-CD2 3.63Å; Y159-F170 AromaticContact CG-CE2 3.53Å; Y159-F170 HydrophobicContact CG-CE2 3.53Å; Y159-M174 HydrophobicContact CE1-CE 4.1Å; Y159-M174 HydrophobicContact CE1-SD 4.34Å; Y159-M174 HydrophobicContact CE2-CB 4.23Å; Y159-M174 WeakPolarHBondContact OH-CE 2.93Å; Y159-I175 HydrophobicContact CD2-CG2 3.73Å; Y159-I175 HydrophobicContact CE2-CG2 4.01Å; Y159-W178 HydrophobicContact CD2-CH2 4.19Å; Y159-W178 AromaticContact CD2-CZ2 3.51Å; Y159-W178 HydrophobicContact CD2-CZ2 3.51Å; Y159-W178 AromaticContact CE2-CZ2 3.71Å; Y159-W178 HydrophobicContact CE2-CZ2 3.71Å; Y159-W178 AromaticContact CE2-NE1 3.92Å; Y159-D205 PolarHBondContact N-OD1 2.93Å
160T78.6Confident72.6Confident36 Ų3675.1 Ų75.122%0.22137%0.369CS..  trans-77.3140.5-176.4490000112.4D205 G207T160-D205 VanDerWaalsContact CB-OD2 3.31Å; T160-D205 WeakPolarHBondContact CB-OD2 3.27Å; T160-D205 WeakPolarHBondContact CG2-OD2 3.19Å; T160-D205 PolarHBondContact N-OD1 3.42Å; T160-D205 PolarHBondContact N-OD2 3.48Å; T160-D205 PolarHBondContact OG1-OD1 2.9Å; T160-D205 PolarHBondContact OG1-OD2 2.9Å; T160-G207 WeakPolarHBondContact O-CA 3.29Å
161D65.8Low72.8Confident27 Ų2776.1 Ų76.114%0.14437%0.37CS..  trans-118.8147.2163.6-179.524.1000109.5R56 K60 Q163 S164R56-D161 HydrophobicContact CB-CB 3.59Å; K60-D161 IonicContact NZ-OD1 3.83Å; D161-Q163 PolarHBondContact O-N 2.97Å; D161-S164 PolarHBondContact O-N 3.3Å; D161-S164 VanDerWaalsContact O-N 3.13Å; D161-S164 PolarHBondContact O-OG 3Å
162S57.2Low73Confident41 Ų4173.6 Ų73.629%0.28735%0.352SS..THydrogen-bonded Turntrans-39.7-33.4178.1500000116
163Q55.1Low73Confident125 Ų12576.1 Ų76.158%0.58437%0.367SS*.THydrogen-bonded Turntrans-99.7-18.8-173-64.9-177.4-10.900114.8D161 N165D161-Q163 PolarHBondContact O-N 2.97Å; Q163-N165 PolarHBondContact O-N 3.33Å
164S49.9Very low73Confident52 Ų5271 Ų7136%0.36435%0.346SS..SBendtrans-99.395.2-17357.20000110.7D161D161-S164 PolarHBondContact O-N 3.3Å; D161-S164 VanDerWaalsContact O-N 3.13Å; D161-S164 PolarHBondContact O-OG 3Å
165N44.4Very low72.8Confident111 Ų11166.5 Ų66.559%0.59433%0.329SS*.  trans45.977.4161-66.5-20.6000115.8Q163 D167 K168Q163-N165 PolarHBondContact O-N 3.33Å; N165-D167 PolarHBondContact O-N 3.22Å; N165-K168 PolarHBondContact O-N 3.37Å
166R47.8Very low72.6Confident136 Ų13667.3 Ų67.351%0.51333%0.333SS..THydrogen-bonded Turntrans-54.9-16.4160.6-74.8-170.5-179-155.3-5.6113.3K168 H278R166-K168 PolarHBondContact O-N 2.91Å; R166-H278 VanDerWaalsContact CZ-CD2 3.48Å; R166-H278 PolarHBondContact NH1-CD2 2.97Å; R166-H278 PolarHBondContact NH1-NE2 2.95Å
167D51Low72.3Confident156 Ų15672.5 Ų72.583%0.83436%0.36SS*.THydrogen-bonded Turntrans-61.3-21176.8-66.7-23.7000113.5N165N165-D167 PolarHBondContact O-N 3.22Å
168K57.4Low72.3Confident141 Ų14172.7 Ų72.761%0.61336%0.361SS*.SBendtrans-106.7100.7173-67.1-174.8-178.6-178.80109.6N165 R166 F170 M174N165-K168 PolarHBondContact O-N 3.37Å; R166-K168 PolarHBondContact O-N 2.91Å; K168-F170 PolarHBondContact O-N 3.04Å; K168-M174 HydrophobicContact CD-CE 4.38Å
169M67.1Low72.3Confident176 Ų17674.8 Ų74.887%0.86738%0.375SS*.  trans-51.4128.2164.6-176.1173.3156.300108.8N171M169-N171 PolarHBondContact O-N 3.2Å; M169-N171 VanDerWaalsContact O-N 3.14Å
170F79.7Confident72.5Confident43 Ų4372.5 Ų72.519%0.18937%0.366CS..  trans-52.5123-179.5171-103.8000110Y159 K168 K172 I175 V203 D205Y159-F170 AromaticContact CD1-CD2 3.55Å; Y159-F170 HydrophobicContact CD1-CD2 3.55Å; Y159-F170 AromaticContact CD1-CE2 3.94Å; Y159-F170 HydrophobicContact CD1-CE2 3.94Å; Y159-F170 HydrophobicContact CD2-CD2 4.33Å; Y159-F170 AromaticContact CD2-CE2 3.86Å; Y159-F170 HydrophobicContact CD2-CE2 3.86Å; Y159-F170 HydrophobicContact CE1-CD2 4.2Å; Y159-F170 AromaticContact CG-CD2 3.63Å; Y159-F170 HydrophobicContact CG-CD2 3.63Å; Y159-F170 AromaticContact CG-CE2 3.53Å; Y159-F170 HydrophobicContact CG-CE2 3.53Å; K168-F170 PolarHBondContact O-N 3.04Å; F170-K172 HydrophobicContact CE1-CB 4.39Å; F170-I175 HydrophobicContact CE2-CG2 4.36Å; F170-V203 HydrophobicContact CZ-CG1 4.12Å; F170-D205 HydrophobicContact CB-CB 4.16Å; F170-D205 HydrophobicContact CD1-CB 3.49Å; F170-D205 VanDerWaalsContact CD1-CB 3.49Å; F170-D205 HydrophobicContact CD2-CB 3.96Å; F170-D205 HydrophobicContact CE1-CB 3.76Å; F170-D205 HydrophobicContact CE2-CB 4.2Å; F170-D205 HydrophobicContact CG-CB 3.59Å; F170-D205 HydrophobicContact CZ-CB 4.1Å
171N82.3Confident72.9Confident78 Ų7870.9 Ų70.942%0.41736%0.356SS..  trans-111127.1169.3-178.8-4.3000107.5M169 L173 M174M169-N171 PolarHBondContact O-N 3.2Å; M169-N171 VanDerWaalsContact O-N 3.14Å; N171-L173 PolarHBondContact O-N 2.89Å; N171-L173 PolarHBondContact OD1-N 2.95Å; N171-L173 VanDerWaalsContact OD1-N 3.16Å; N171-M174 HydrophobicContact CB-CG 4.14Å; N171-M174 HydrophobicContact CB-SD 4.27Å; N171-M174 VanDerWaalsContact O-CB 3.28Å; N171-M174 WeakPolarHBondContact O-CB 3.22Å; N171-M174 WeakPolarHBondContact O-CG 2.98Å; N171-M174 PolarHBondContact O-N 3.2Å
172K82.6Confident73.9Confident86 Ų8674.4 Ų74.437%0.37437%0.371SS..G310 helixtrans-51.8-29.6178.266175.6-174.3164.60113F170 M174 I175 T198 V203F170-K172 HydrophobicContact CE1-CB 4.39Å; K172-M174 PolarHBondContact O-N 2.81Å; K172-M174 VanDerWaalsContact O-N 3.16Å; K172-I175 WeakPolarHBondContact O-CG1 3.38Å; K172-I175 PolarHBondContact O-N 3Å; K172-T198 HydrophobicContact CB-CG2 4.13Å; K172-T198 HydrophobicContact CG-CG2 4.26Å; K172-T198 PolarHBondContact NZ-O 2.77Å; K172-T198 WeakPolarHBondContact O-CG2 3.39Å; K172-V203 HydrophobicContact CB-CB 4.34Å
173L84.7Confident75.1Confident93 Ų9374.1 Ų74.149%0.48737%0.369SS..G310 helixtrans-63-20.1177.8-64.1174.1000113.8N171 I175 E176N171-L173 PolarHBondContact O-N 2.89Å; N171-L173 PolarHBondContact OD1-N 2.95Å; N171-L173 VanDerWaalsContact OD1-N 3.16Å; L173-I175 PolarHBondContact O-N 2.83Å; L173-E176 VanDerWaalsContact O-CB 3.31Å; L173-E176 WeakPolarHBondContact O-CB 3.42Å; L173-E176 WeakPolarHBondContact O-CG 3.5Å; L173-E176 PolarHBondContact O-N 2.96Å; L173-E176 VanDerWaalsContact O-N 3.12Å
174M84.9Confident76.2Confident47 Ų4769.9 Ų69.923%0.23235%0.348CS..G310 helixtrans-68.3-20.3-177.6-61.8175.478.800113.6Y159 K168 N171 K172 E176Y159-M174 HydrophobicContact CE1-CE 4.1Å; Y159-M174 HydrophobicContact CE1-SD 4.34Å; Y159-M174 HydrophobicContact CE2-CB 4.23Å; Y159-M174 WeakPolarHBondContact OH-CE 2.93Å; K168-M174 HydrophobicContact CD-CE 4.38Å; N171-M174 HydrophobicContact CB-CG 4.14Å; N171-M174 HydrophobicContact CB-SD 4.27Å; N171-M174 VanDerWaalsContact O-CB 3.28Å; N171-M174 WeakPolarHBondContact O-CB 3.22Å; N171-M174 WeakPolarHBondContact O-CG 2.98Å; N171-M174 PolarHBondContact O-N 3.2Å; K172-M174 PolarHBondContact O-N 2.81Å; K172-M174 VanDerWaalsContact O-N 3.16Å; M174-E176 VanDerWaalsContact C-N 3.34Å
175I87.6Confident77.3Confident0 Ų068.4 Ų68.40%034%0.339CS..G310 helixtrans-80.6-15.8174.856.2140.2000112.4Y159 F170 K172 L173 D177 W178 I181 F197 T198 V203Y159-I175 HydrophobicContact CD2-CG2 3.73Å; Y159-I175 HydrophobicContact CE2-CG2 4.01Å; F170-I175 HydrophobicContact CE2-CG2 4.36Å; K172-I175 WeakPolarHBondContact O-CG1 3.38Å; K172-I175 PolarHBondContact O-N 3Å; L173-I175 PolarHBondContact O-N 2.83Å; I175-D177 PolarHBondContact O-N 3.39Å; I175-W178 HydrophobicContact CB-CD2 4.44Å; I175-W178 HydrophobicContact CG2-CD2 4.44Å; I175-W178 HydrophobicContact CG2-CH2 4.32Å; I175-W178 HydrophobicContact CG2-CZ2 4.21Å; I175-W178 HydrophobicContact CG2-CZ3 4.47Å; I175-W178 WeakPolarHBondContact O-CB 3.48Å; I175-W178 PolarHBondContact O-N 3.28Å; I175-W178 VanDerWaalsContact O-N 3.09Å; I175-I181 HydrophobicContact CB-CD1 3.86Å; I175-I181 HydrophobicContact CD1-CD1 3.93Å; I175-I181 HydrophobicContact CG1-CD1 4.41Å; I175-I181 WeakPolarHBondContact O-CD1 3.48Å; I175-F197 HydrophobicContact CD1-CD1 3.54Å; I175-F197 HydrophobicContact CD1-CE1 3.74Å; I175-T198 HydrophobicContact CD1-CG2 3.74Å; I175-T198 HydrophobicContact CG1-CG2 3.87Å; I175-V203 HydrophobicContact CD1-CB 4.24Å; I175-V203 HydrophobicContact CD1-CG1 4.01Å; I175-V203 HydrophobicContact CD1-CG2 3.72Å
176E87.1Confident78.4Confident18 Ų1871 Ų718%0.08434%0.342CS..G310 helixtrans-66.9-16.2174.7-59.3-75.2176.100112L173 M174 W178 Q182 F196 F197 T198L173-E176 VanDerWaalsContact O-CB 3.31Å; L173-E176 WeakPolarHBondContact O-CB 3.42Å; L173-E176 WeakPolarHBondContact O-CG 3.5Å; L173-E176 PolarHBondContact O-N 2.96Å; L173-E176 VanDerWaalsContact O-N 3.12Å; M174-E176 VanDerWaalsContact C-N 3.34Å; E176-W178 VanDerWaalsContact C-N 3.29Å; E176-Q182 WeakPolarHBondContact O-CG 3.35Å; E176-Q182 PolarHBondContact O-NE2 3.03Å; E176-F196 HydrophobicContact CG-CD1 4.41Å; E176-F196 WeakPolarHBondContact OE1-CB 3.35Å; E176-F197 PolarHBondContact OE1-N 2.91Å; E176-F197 PolarHBondContact OE2-N 3.34Å; E176-T198 HydrophobicContact CG-CG2 4.07Å; E176-T198 VanDerWaalsContact OE1-CB 3.25Å; E176-T198 WeakPolarHBondContact OE1-CB 3.36Å; E176-T198 WeakPolarHBondContact OE1-CG2 3.26Å; E176-T198 PolarHBondContact OE1-N 2.91Å; E176-T198 PolarHBondContact OE1-OG1 3.25Å
177D87.4Confident78.9Confident108 Ų10866.5 Ų66.558%0.57833%0.328SS*.G310 helixtrans-80.3-9.8175.2-66.1-29.3000112.7I175I175-D177 PolarHBondContact O-N 3.39Å
178W91.8Very high79Confident6 Ų665 Ų652%0.02332%0.318CS..SBendtrans-74.5127.4-179.8-70.41.7000111.1I47 S52 N55 I157 Y159 I175 E176 L180 I181 Q182I47-W178 HydrophobicContact CB-CZ3 4.49Å; I47-W178 HydrophobicContact CD1-CE3 3.91Å; I47-W178 HydrophobicContact CD1-CZ3 4Å; S52-W178 PolarHBondContact O-NE1 2.88Å; N55-W178 HydrophobicContact CB-CH2 4.04Å; N55-W178 HydrophobicContact CB-CZ2 3.58Å; I157-W178 HydrophobicContact CD1-CZ3 4.43Å; I157-W178 HydrophobicContact CG2-CH2 3.68Å; I157-W178 HydrophobicContact CG2-CZ3 4.07Å; Y159-W178 HydrophobicContact CD2-CH2 4.19Å; Y159-W178 AromaticContact CD2-CZ2 3.51Å; Y159-W178 HydrophobicContact CD2-CZ2 3.51Å; Y159-W178 AromaticContact CE2-CZ2 3.71Å; Y159-W178 HydrophobicContact CE2-CZ2 3.71Å; Y159-W178 AromaticContact CE2-NE1 3.92Å; I175-W178 HydrophobicContact CB-CD2 4.44Å; I175-W178 HydrophobicContact CG2-CD2 4.44Å; I175-W178 HydrophobicContact CG2-CH2 4.32Å; I175-W178 HydrophobicContact CG2-CZ2 4.21Å; I175-W178 HydrophobicContact CG2-CZ3 4.47Å; I175-W178 WeakPolarHBondContact O-CB 3.48Å; I175-W178 PolarHBondContact O-N 3.28Å; I175-W178 VanDerWaalsContact O-N 3.09Å; E176-W178 VanDerWaalsContact C-N 3.29Å; W178-L180 VanDerWaalsContact C-N 3.3Å; W178-L180 PolarHBondContact O-N 3.17Å; W178-I181 HydrophobicContact CB-CB 4.21Å; W178-I181 HydrophobicContact CB-CD1 4.1Å; W178-I181 HydrophobicContact CB-CG1 4.16Å; W178-I181 HydrophobicContact CD2-CD1 4.21Å; W178-I181 HydrophobicContact CE3-CD1 3.62Å; W178-I181 HydrophobicContact CE3-CG1 4.47Å; W178-I181 HydrophobicContact CG-CD1 4.44Å; W178-I181 HydrophobicContact CZ3-CD1 4.43Å; W178-I181 WeakPolarHBondContact O-CA 3.49Å; W178-I181 PolarHBondContact O-N 3.4Å; W178-Q182 PolarHBondContact O-N 3.16Å
179P90.1Very high78.9Confident43 Ų4367.1 Ų67.128%0.27933%0.328SS..Hα-helixtrans-49.8-44.3-177.2-31.735.8000114.6V50 D51 M53 I181 Q182 S183V50-P179 WeakPolarHBondContact O-CG 3.12Å; D51-P179 WeakPolarHBondContact O-CD 3.48Å; M53-P179 HydrophobicContact SD-CG 4.28Å; P179-I181 VanDerWaalsContact C-N 3.31Å; P179-I181 PolarHBondContact O-N 2.75Å; P179-Q182 WeakPolarHBondContact O-CB 3.23Å; P179-Q182 PolarHBondContact O-N 3.06Å; P179-S183 PolarHBondContact O-N 2.72Å; P179-S183 PolarHBondContact O-OG 2.98Å
180L89.2Confident78.3Confident0 Ų066.1 Ų66.10%031%0.314CS..Hα-helixtrans-67.5-30.4179.8-176.561.3000113.1I47 D51 F91 K141 V142 F145 W178 S183 Y184I47-L180 HydrophobicContact CD1-CD2 4.07Å; I47-L180 HydrophobicContact CG1-CD2 4.22Å; I47-L180 HydrophobicContact CG2-CD2 4.02Å; D51-L180 HydrophobicContact CB-CB 3.99Å; D51-L180 PolarHBondContact O-N 2.91Å; F91-L180 HydrophobicContact CD1-CD2 3.99Å; F91-L180 HydrophobicContact CE1-CD2 4.44Å; K141-L180 HydrophobicContact CD-CD1 4.36Å; K141-L180 HydrophobicContact CG-CD1 4.17Å; V142-L180 HydrophobicContact CG2-CD1 4.31Å; F145-L180 HydrophobicContact CB-CD1 4.46Å; F145-L180 HydrophobicContact CD1-CD2 4.45Å; F145-L180 HydrophobicContact CD1-CG 4.14Å; F145-L180 HydrophobicContact CD2-CD2 3.82Å; F145-L180 HydrophobicContact CD2-CG 4.39Å; F145-L180 HydrophobicContact CE1-CG 4.32Å; F145-L180 HydrophobicContact CE2-CD2 3.99Å; F145-L180 HydrophobicContact CG-CD1 4.44Å; F145-L180 HydrophobicContact CG-CD2 4.07Å; F145-L180 HydrophobicContact CG-CG 4.17Å; F145-L180 HydrophobicContact CZ-CD2 4.37Å; W178-L180 VanDerWaalsContact C-N 3.3Å; W178-L180 PolarHBondContact O-N 3.17Å; L180-S183 VanDerWaalsContact C-OG 3.28Å; L180-S183 WeakPolarHBondContact CA-OG 3.42Å; L180-S183 PolarHBondContact O-OG 3.41Å; L180-Y184 PolarHBondContact O-N 2.99Å
181I88.5Confident76.9Confident1 Ų172.3 Ų72.31%0.00534%0.344CS..Hα-helixtrans-77.8-35.6176.5-64.6179.4000109.9F145 I175 W178 P179 Y184 A185 F197F145-I181 HydrophobicContact CE1-CG1 4.45Å; F145-I181 HydrophobicContact CZ-CG1 4.49Å; I175-I181 HydrophobicContact CB-CD1 3.86Å; I175-I181 HydrophobicContact CD1-CD1 3.93Å; I175-I181 HydrophobicContact CG1-CD1 4.41Å; I175-I181 WeakPolarHBondContact O-CD1 3.48Å; W178-I181 HydrophobicContact CB-CB 4.21Å; W178-I181 HydrophobicContact CB-CD1 4.1Å; W178-I181 HydrophobicContact CB-CG1 4.16Å; W178-I181 HydrophobicContact CD2-CD1 4.21Å; W178-I181 HydrophobicContact CE3-CD1 3.62Å; W178-I181 HydrophobicContact CE3-CG1 4.47Å; W178-I181 HydrophobicContact CG-CD1 4.44Å; W178-I181 HydrophobicContact CZ3-CD1 4.43Å; W178-I181 WeakPolarHBondContact O-CA 3.49Å; W178-I181 PolarHBondContact O-N 3.4Å; P179-I181 VanDerWaalsContact C-N 3.31Å; P179-I181 PolarHBondContact O-N 2.75Å; I181-Y184 WeakPolarHBondContact O-CB 3.35Å; I181-Y184 PolarHBondContact O-N 3.46Å; I181-A185 PolarHBondContact O-N 2.82Å; I181-F197 HydrophobicContact CG2-CB 3.66Å; I181-F197 HydrophobicContact CG2-CD1 4.27Å; I181-F197 HydrophobicContact CG2-CD2 4.3Å; I181-F197 HydrophobicContact CG2-CG 3.85Å
182Q86.1Confident75.3Confident102 Ų10277 Ų7748%0.47737%0.368SS..Hα-helixtrans-64-42.5173.1-68.9-175.2-11.100112.3E176 W178 P179 Y184 A185 Y186E176-Q182 WeakPolarHBondContact O-CG 3.35Å; E176-Q182 PolarHBondContact O-NE2 3.03Å; W178-Q182 PolarHBondContact O-N 3.16Å; P179-Q182 WeakPolarHBondContact O-CB 3.23Å; P179-Q182 PolarHBondContact O-N 3.06Å; Q182-Y184 VanDerWaalsContact C-N 3.34Å; Q182-A185 PolarHBondContact O-N 3.47Å; Q182-Y186 PolarHBondContact O-N 3.22Å
183S83Confident73.7Confident35 Ų3575.5 Ų75.525%0.24537%0.368CS..Hα-helixtrans-64.7-38.4176.254.50000111.9V142 P179 L180 A185 Y186V142-S183 WeakPolarHBondContact CG2-OG 3.07Å; P179-S183 PolarHBondContact O-N 2.72Å; P179-S183 PolarHBondContact O-OG 2.98Å; L180-S183 VanDerWaalsContact C-OG 3.28Å; L180-S183 WeakPolarHBondContact CA-OG 3.42Å; L180-S183 PolarHBondContact O-OG 3.41Å; S183-A185 VanDerWaalsContact C-N 3.32Å; S183-A185 PolarHBondContact O-N 3.17Å; S183-Y186 PolarHBondContact O-N 3.2Å
184Y78.2Confident72.3Confident36 Ų3680.1 Ų80.114%0.14138%0.379CS..Hα-helixtrans-59-43171.7172.1-79.4000111.8F145 E146 L180 I181 Q182 Y186 F197 R201F145-Y184 HydrophobicContact CD1-CD2 4.23Å; E146-Y184 HydrophobicContact CB-CD2 3.81Å; E146-Y184 HydrophobicContact CB-CE2 3.87Å; E146-Y184 HydrophobicContact CG-CD2 3.83Å; E146-Y184 HydrophobicContact CG-CE2 3.47Å; E146-Y184 VanDerWaalsContact CG-CE2 3.47Å; L180-Y184 PolarHBondContact O-N 2.99Å; I181-Y184 WeakPolarHBondContact O-CB 3.35Å; I181-Y184 PolarHBondContact O-N 3.46Å; Q182-Y184 VanDerWaalsContact C-N 3.34Å; Y184-Y186 PolarHBondContact O-N 2.96Å; Y184-F197 AromaticContact CD1-CD2 3.73Å; Y184-F197 HydrophobicContact CD1-CD2 3.73Å; Y184-F197 HydrophobicContact CD1-CE2 4.47Å; Y184-F197 AromaticContact CE1-CD2 3.82Å; Y184-F197 HydrophobicContact CE1-CD2 3.82Å; Y184-F197 HydrophobicContact CE1-CE2 4.5Å; Y184-F197 HydrophobicContact CG-CD2 4.34Å; Y184-R201 PolarHBondContact OH-NH1 3.44Å; Y184-R201 PolarHBondContact OH-NH2 3.39Å
185A71.6Confident71.4Confident20 Ų2082.8 Ų82.817%0.16539%0.391CS..Hα-helixtrans-72.3-11.9-179.800000114I181 Q182 S183I181-A185 PolarHBondContact O-N 2.82Å; Q182-A185 PolarHBondContact O-N 3.47Å; S183-A185 VanDerWaalsContact C-N 3.32Å; S183-A185 PolarHBondContact O-N 3.17Å
186Y68.2Low70.8Confident167 Ų16788 Ų8866%0.65541%0.414SS*.THydrogen-bonded Turntrans-94.55.2-177.4-166.2-102.2000113.9Q182 S183 Y184 I188Q182-Y186 PolarHBondContact O-N 3.22Å; S183-Y186 PolarHBondContact O-N 3.2Å; Y184-Y186 PolarHBondContact O-N 2.96Å; Y186-I188 PolarHBondContact O-N 3.18Å
187D58.7Low70.5Confident41 Ų4187.2 Ų87.222%0.21941%0.41CS..  trans-43.1113.2-172.7179.618.2000113.8K189 R190D187-K189 PolarHBondContact O-N 2.98Å; D187-K189 VanDerWaalsContact O-N 3.11Å; D187-K189 PolarHBondContact OD1-N 3.39Å; D187-R190 PolarHBondContact O-N 3.37Å
188I53.5Low70.3Confident123 Ų12382.1 Ų82.163%0.63138%0.383SS*.G310 helixtrans-57.5-26.8-177.6-63.3169.9000111.2Y186 Q191Y186-I188 PolarHBondContact O-N 3.18Å; I188-Q191 WeakPolarHBondContact O-CG 3.48Å
189K55Low69.8Low187 Ų18787.8 Ų87.881%0.81341%0.413SS*.G310 helixtrans-74.2-25.8179.6-66.8177.3-177167.60113D187D187-K189 PolarHBondContact O-N 2.98Å; D187-K189 VanDerWaalsContact O-N 3.11Å; D187-K189 PolarHBondContact OD1-N 3.39Å
190R54.3Low69.2Low154 Ų15488.4 Ų88.458%0.58142%0.418SS*.G310 helixtrans-107.254.1178.8-61.7-172.2-174.2-159.12.6111.2D187 L192 S193D187-R190 PolarHBondContact O-N 3.37Å; R190-L192 PolarHBondContact O-N 2.98Å; R190-S193 PolarHBondContact O-N 3.26Å
191Q51Low69Low174 Ų17489.1 Ų89.181%0.81342%0.421SS*.THydrogen-bonded Turntrans-49.8-14.1177.5-90.8168.5-6.300116.3I188I188-Q191 WeakPolarHBondContact O-CG 3.48Å
192L47Very low69Low176 Ų17693.4 Ų93.492%0.92144%0.441SS*.THydrogen-bonded Turntrans-108.7-9.8-170.1-76.7160000116.1R190R190-L192 PolarHBondContact O-N 2.98Å
193S50.1Low69.2Low55 Ų5589 Ų8939%0.38542%0.421SS..  trans-145.3104.7171.460.70000111.7R190 E195R190-S193 PolarHBondContact O-N 3.26Å; S193-E195 PolarHBondContact O-N 3.5Å
194R54.9Low69.6Low190 Ų19088.8 Ų88.872%0.71742%0.417SS*.  trans-71.874.5166.7-159.2-179.8-170.3-174.62.1108.1F196R194-F196 PolarHBondContact O-N 2.91Å
195E65.5Low70.2Confident102 Ų10288.6 Ų88.648%0.47742%0.418SS..  trans-75.3112.6173.9-74.8178.9-16300108.6S193S193-E195 PolarHBondContact O-N 3.5Å
196F76Confident71.1Confident109 Ų10987.7 Ų87.748%0.47841%0.411SS..  trans-53.6141.1171-69.7-80.5000110.4E176 R194 T198 L199E176-F196 HydrophobicContact CG-CD1 4.41Å; E176-F196 WeakPolarHBondContact OE1-CB 3.35Å; R194-F196 PolarHBondContact O-N 2.91Å; F196-T198 PolarHBondContact O-N 3.08Å; F196-T198 VanDerWaalsContact O-N 3.16Å; F196-L199 HydrophobicContact CB-CB 4.48Å; F196-L199 HydrophobicContact CB-CD1 3.9Å; F196-L199 HydrophobicContact CB-CG 3.94Å; F196-L199 HydrophobicContact CD2-CD1 3.82Å; F196-L199 HydrophobicContact CG-CD1 4.36Å; F196-L199 WeakPolarHBondContact O-CB 3.45Å; F196-L199 PolarHBondContact O-N 3.35Å
197F80.8Confident72.1Confident2 Ų280 Ų801%0.00938%0.382CS..Hα-helixtrans-55.4-37.8-176.5-178.3-94.1000112.4F145 L149 I155 I175 E176 I181 Y184 S200 R201 V203F145-F197 HydrophobicContact CE1-CE2 4.44Å; L149-F197 HydrophobicContact CD1-CE2 3.93Å; L149-F197 HydrophobicContact CD1-CZ 3.95Å; I155-F197 HydrophobicContact CD1-CE1 3.84Å; I155-F197 HydrophobicContact CD1-CE2 4.25Å; I155-F197 HydrophobicContact CD1-CZ 3.34Å; I175-F197 HydrophobicContact CD1-CD1 3.54Å; I175-F197 HydrophobicContact CD1-CE1 3.74Å; E176-F197 PolarHBondContact OE1-N 2.91Å; E176-F197 PolarHBondContact OE2-N 3.34Å; I181-F197 HydrophobicContact CG2-CB 3.66Å; I181-F197 HydrophobicContact CG2-CD1 4.27Å; I181-F197 HydrophobicContact CG2-CD2 4.3Å; I181-F197 HydrophobicContact CG2-CG 3.85Å; Y184-F197 AromaticContact CD1-CD2 3.73Å; Y184-F197 HydrophobicContact CD1-CD2 3.73Å; Y184-F197 HydrophobicContact CD1-CE2 4.47Å; Y184-F197 AromaticContact CE1-CD2 3.82Å; Y184-F197 HydrophobicContact CE1-CD2 3.82Å; Y184-F197 HydrophobicContact CE1-CE2 4.5Å; Y184-F197 HydrophobicContact CG-CD2 4.34Å; F197-S200 PolarHBondContact O-OG 3.18Å; F197-R201 WeakPolarHBondContact O-CB 3.42Å; F197-R201 PolarHBondContact O-N 3.3Å; F197-V203 HydrophobicContact CD1-CG2 4.3Å; F197-V203 HydrophobicContact CE1-CG2 3.97Å
198T82.1Confident73.4Confident1 Ų181.7 Ų81.71%0.00639%0.391CS..Hα-helixtrans-81.8-5.5-178.457.80000115K172 I175 E176 F196 R201 V203K172-T198 HydrophobicContact CB-CG2 4.13Å; K172-T198 HydrophobicContact CG-CG2 4.26Å; K172-T198 PolarHBondContact NZ-O 2.77Å; K172-T198 WeakPolarHBondContact O-CG2 3.39Å; I175-T198 HydrophobicContact CD1-CG2 3.74Å; I175-T198 HydrophobicContact CG1-CG2 3.87Å; E176-T198 HydrophobicContact CG-CG2 4.07Å; E176-T198 VanDerWaalsContact OE1-CB 3.25Å; E176-T198 WeakPolarHBondContact OE1-CB 3.36Å; E176-T198 WeakPolarHBondContact OE1-CG2 3.26Å; E176-T198 PolarHBondContact OE1-N 2.91Å; E176-T198 PolarHBondContact OE1-OG1 3.25Å; F196-T198 PolarHBondContact O-N 3.08Å; F196-T198 VanDerWaalsContact O-N 3.16Å; T198-R201 CarbonylContact C-O 3.54Å; T198-V203 HydrophobicContact CG2-CG2 4.46Å
199L81.5Confident75.1Confident125 Ų12577.9 Ų77.965%0.65437%0.372SS*.Hα-helixtrans-82.4-41.3173.4-76175.5000111.6F196F196-L199 HydrophobicContact CB-CB 4.48Å; F196-L199 HydrophobicContact CB-CD1 3.9Å; F196-L199 HydrophobicContact CB-CG 3.94Å; F196-L199 HydrophobicContact CD2-CD1 3.82Å; F196-L199 HydrophobicContact CG-CD1 4.36Å; F196-L199 WeakPolarHBondContact O-CB 3.45Å; F196-L199 PolarHBondContact O-N 3.35Å
200S78.8Confident76.7Confident56 Ų5669 Ų6939%0.39233%0.334SS..Hα-helixtrans-84.4-17.2178.553.40000112.8F197F197-S200 PolarHBondContact O-OG 3.18Å
201R83.8Confident78.2Confident15 Ų1563.7 Ų63.76%0.05731%0.314CS..SBendtrans-131.4145.1-172.4-55.5-171.9175.885.6-6.3113.3L149 F152 K153 Y184 F197 T198L149-R201 PolarHBondContact O-NE 3.2Å; L149-R201 PolarHBondContact O-NH2 3.09Å; F152-R201 WeakPolarHBondContact O-CD 3.49Å; F152-R201 PolarHBondContact O-NE 2.87Å; K153-R201 CarbonylContact O-C 3.57Å; K153-R201 WeakPolarHBondContact O-CA 3.23Å; Y184-R201 PolarHBondContact OH-NH1 3.44Å; Y184-R201 PolarHBondContact OH-NH2 3.39Å; F197-R201 WeakPolarHBondContact O-CB 3.42Å; F197-R201 PolarHBondContact O-N 3.3Å; T198-R201 CarbonylContact C-O 3.54Å
202E88.7Confident79.9Confident91 Ų9160.1 Ų60.143%0.42530%0.298SS..EExtended strand (participates in β ladder)trans-87.9120168.2-176175.1-164.600108.2K153 R154 I155 I204K153-E202 PolarHBondContact O-N 3.16Å; R154-E202 WeakPolarHBondContact CA-O 3.32Å; R154-E202 HydrophobicContact CG-CB 4.28Å; R154-E202 IonicContact CZ-OE2 3.62Å; R154-E202 VanDerWaalsContact CZ-OE2 3.28Å; R154-E202 IonicContact NE-OE2 2.91Å; R154-E202 PolarHBondContact NE-OE2 3.45Å; R154-E202 IonicContact NH2-OE1 2.88Å; R154-E202 IonicContact NH2-OE2 3.86Å; R154-E202 PolarHBondContact NH2-OE2 3.44Å; I155-E202 PolarHBondContact N-O 3.12Å; E202-I204 HydrophobicContact CG-CG1 4.2Å
203V90Very high81.9Confident11 Ų1152.1 Ų52.17%0.06726%0.257CS..EExtended strand (participates in β ladder)trans-110.1122.3177.5-177.50000109I155 I157 F170 K172 I175 F197 T198I155-V203 HydrophobicContact CB-CG2 4.44Å; I155-V203 WeakPolarHBondContact O-CA 3.4Å; I157-V203 HydrophobicContact CB-CG1 4.47Å; I157-V203 HydrophobicContact CD1-CG1 3.81Å; I157-V203 HydrophobicContact CG1-CG1 4.09Å; F170-V203 HydrophobicContact CZ-CG1 4.12Å; K172-V203 HydrophobicContact CB-CB 4.34Å; I175-V203 HydrophobicContact CD1-CB 4.24Å; I175-V203 HydrophobicContact CD1-CG1 4.01Å; I175-V203 HydrophobicContact CD1-CG2 3.72Å; F197-V203 HydrophobicContact CD1-CG2 4.3Å; F197-V203 HydrophobicContact CE1-CG2 3.97Å; T198-V203 HydrophobicContact CG2-CG2 4.46Å
204I91.5Very high83.6Confident29 Ų2950.9 Ų50.915%0.14925%0.246CC..EExtended strand (participates in β ladder)trans-113121.3-174.9-54.3174.6000107.8Y39 I155 V156 I157 E202 V206Y39-I204 HydrophobicContact CD1-CG2 3.74Å; Y39-I204 HydrophobicContact CE1-CG2 4.24Å; Y39-I204 HydrophobicContact CG-CG2 4.32Å; I155-I204 PolarHBondContact O-N 3.3Å; V156-I204 WeakPolarHBondContact CA-O 3.32Å; I157-I204 PolarHBondContact N-O 2.71Å; E202-I204 HydrophobicContact CG-CG1 4.2Å; I204-V206 HydrophobicContact CG2-CG1 4.27Å
205D91.6Very high85Confident32 Ų3245.4 Ų45.417%0.17123%0.229CC..EExtended strand (participates in β ladder)trans-77.3129.6170.7178.831.7000110.7I157 Y159 T160 F170 G207I157-D205 VanDerWaalsContact O-CA 3.27Å; I157-D205 WeakPolarHBondContact O-CA 3.14Å; Y159-D205 PolarHBondContact N-OD1 2.93Å; T160-D205 VanDerWaalsContact CB-OD2 3.31Å; T160-D205 WeakPolarHBondContact CB-OD2 3.27Å; T160-D205 WeakPolarHBondContact CG2-OD2 3.19Å; T160-D205 PolarHBondContact N-OD1 3.42Å; T160-D205 PolarHBondContact N-OD2 3.48Å; T160-D205 PolarHBondContact OG1-OD1 2.9Å; T160-D205 PolarHBondContact OG1-OD2 2.9Å; F170-D205 HydrophobicContact CB-CB 4.16Å; F170-D205 HydrophobicContact CD1-CB 3.49Å; F170-D205 VanDerWaalsContact CD1-CB 3.49Å; F170-D205 HydrophobicContact CD2-CB 3.96Å; F170-D205 HydrophobicContact CE1-CB 3.76Å; F170-D205 HydrophobicContact CE2-CB 4.2Å; F170-D205 HydrophobicContact CG-CB 3.59Å; F170-D205 HydrophobicContact CZ-CB 4.1Å; D205-G207 PolarHBondContact OD1-N 3.04Å
206V91.3Very high86.2Confident1 Ų144.2 Ų44.21%0.00622%0.22CC..  trans-123.721.4177.1-64.50000112.8I35 Y39 F44 V156 I157 I204 D208 N209 L210I35-V206 HydrophobicContact CG2-CB 3.84Å; I35-V206 HydrophobicContact CG2-CG1 4.01Å; I35-V206 HydrophobicContact CG2-CG2 4.05Å; Y39-V206 HydrophobicContact CD1-CG1 4.47Å; Y39-V206 HydrophobicContact CD2-CG1 3.66Å; Y39-V206 HydrophobicContact CE2-CG1 3.77Å; Y39-V206 HydrophobicContact CG-CG1 4.06Å; F44-V206 HydrophobicContact CD2-CG2 4.3Å; F44-V206 HydrophobicContact CE2-CG2 3.53Å; F44-V206 HydrophobicContact CZ-CG2 4.07Å; V156-V206 HydrophobicContact CG1-CB 3.9Å; V156-V206 HydrophobicContact CG1-CG1 3.42Å; V156-V206 VanDerWaalsContact CG1-CG1 3.42Å; V156-V206 HydrophobicContact CG1-CG2 3.19Å; I157-V206 PolarHBondContact O-N 3.37Å; I204-V206 HydrophobicContact CG2-CG1 4.27Å; V206-D208 PolarHBondContact O-N 3Å; V206-N209 PolarHBondContact O-N 3.29Å; V206-L210 WeakPolarHBondContact O-CB 3.43Å; V206-L210 PolarHBondContact O-N 2.95Å
207G87.9Confident86.9Confident6 Ų639.3 Ų39.36%0.06220%0.199CC..Hα-helixtrans-52.5-36.9178.100000113.6T160 D205 R211T160-G207 WeakPolarHBondContact O-CA 3.29Å; D205-G207 PolarHBondContact OD1-N 3.04Å; G207-R211 WeakPolarHBondContact O-CB 3.42Å; G207-R211 PolarHBondContact O-N 3.31Å
208D85.7Confident87.3Confident76 Ų7639.6 Ų39.641%0.40620%0.201SC..Hα-helixtrans-67.2-46176.9-77.8-34.8000113.4V206 R211 M212V206-D208 PolarHBondContact O-N 3Å; D208-R211 WeakPolarHBondContact O-CB 3.36Å; D208-R211 PolarHBondContact O-N 2.75Å; D208-R211 IonicContact OD1-CZ 3.69Å; D208-R211 IonicContact OD1-NH1 3.13Å; D208-R211 PolarHBondContact OD1-NH1 3.08Å; D208-R211 IonicContact OD1-NH2 3.66Å; D208-R211 PolarHBondContact OD1-NH2 2.91Å; D208-M212 WeakPolarHBondContact O-CG 3.49Å; D208-M212 PolarHBondContact O-N 2.87Å
209N89.3Confident87.5Confident43 Ų4340.6 Ų40.623%0.2321%0.207CC..Hα-helixtrans-69.6-37.1178.3-62.666.3000111.4I35 Y39 V206 R211 M212 L213I35-N209 HydrophobicContact CD1-CB 4.15Å; I35-N209 HydrophobicContact CG1-CB 4.18Å; I35-N209 HydrophobicContact CG2-CB 3.95Å; Y39-N209 HydrophobicContact CE2-CB 4.46Å; Y39-N209 PolarHBondContact OH-ND2 3.41Å; Y39-N209 PolarHBondContact OH-OD1 3.42Å; V206-N209 PolarHBondContact O-N 3.29Å; N209-R211 VanDerWaalsContact C-N 3.31Å; N209-M212 PolarHBondContact O-N 2.93Å; N209-L213 WeakPolarHBondContact O-CB 3.3Å; N209-L213 PolarHBondContact O-N 2.92Å
210L89.9Confident87.7Confident2 Ų234.7 Ų34.71%0.0118%0.176CC..Hα-helixtrans-61.5-43.5171.9-179.868.6000110A61 P158 V206 M212 L213 T214A61-L210 HydrophobicContact CB-CD1 4.28Å; A61-L210 HydrophobicContact CB-CD2 3.55Å; P158-L210 HydrophobicContact CB-CD2 3.46Å; P158-L210 VanDerWaalsContact CB-CD2 3.46Å; P158-L210 HydrophobicContact CG-CD2 4.12Å; V206-L210 WeakPolarHBondContact O-CB 3.43Å; V206-L210 PolarHBondContact O-N 2.95Å; L210-M212 PolarHBondContact O-N 3.23Å; L210-L213 WeakPolarHBondContact O-CB 3.41Å; L210-L213 PolarHBondContact O-N 3.15Å; L210-L213 VanDerWaalsContact O-N 3.15Å; L210-T214 HydrophobicContact CD1-CG2 4.14Å; L210-T214 HydrophobicContact CG-CG2 4.2Å; L210-T214 WeakPolarHBondContact O-CG2 3.17Å; L210-T214 PolarHBondContact O-N 2.87Å; L210-T214 PolarHBondContact O-OG1 3.24Å
211R84.2Confident88.1Confident42 Ų4233.6 Ų33.616%0.15817%0.165CC..Hα-helixtrans-55.5-52.2174.8176.5179.768.2-119.4-7.3110.9G207 D208 N209 L213 T214 E215G207-R211 WeakPolarHBondContact O-CB 3.42Å; G207-R211 PolarHBondContact O-N 3.31Å; D208-R211 WeakPolarHBondContact O-CB 3.36Å; D208-R211 PolarHBondContact O-N 2.75Å; D208-R211 IonicContact OD1-CZ 3.69Å; D208-R211 IonicContact OD1-NH1 3.13Å; D208-R211 PolarHBondContact OD1-NH1 3.08Å; D208-R211 IonicContact OD1-NH2 3.66Å; D208-R211 PolarHBondContact OD1-NH2 2.91Å; N209-R211 VanDerWaalsContact C-N 3.31Å; R211-L213 VanDerWaalsContact C-N 3.25Å; R211-L213 PolarHBondContact O-N 2.83Å; R211-T214 WeakPolarHBondContact CA-OG1 3.46Å; R211-T214 PolarHBondContact O-N 2.77Å; R211-T214 VanDerWaalsContact O-N 3.13Å; R211-T214 PolarHBondContact O-OG1 3.33Å; R211-E215 WeakPolarHBondContact CD-OE1 3.4Å; R211-E215 HydrophobicContact CG-CG 4.3Å; R211-E215 WeakPolarHBondContact CG-OE1 3.17Å; R211-E215 WeakPolarHBondContact O-CB 3.37Å; R211-E215 WeakPolarHBondContact O-CG 3.17Å; R211-E215 PolarHBondContact O-N 3Å
212M86.6Confident88.2Confident98 Ų9833.1 Ų33.148%0.48316%0.163SC..Hα-helixtrans-55.8-41.5177.3-67.4-179.670.400111.8D208 N209 L210 E215D208-M212 WeakPolarHBondContact O-CG 3.49Å; D208-M212 PolarHBondContact O-N 2.87Å; N209-M212 PolarHBondContact O-N 2.93Å; L210-M212 PolarHBondContact O-N 3.23Å; M212-E215 PolarHBondContact O-N 3.41Å
213L89.1Confident87.8Confident9 Ų929.7 Ų29.75%0.04715%0.147CC..Hα-helixtrans-65.6-45176.9-17966.2000112.3G31 V32 I35 Y64 N209 L210 R211 E215 R216G31-L213 VanDerWaalsContact C-CD2 3.43Å; V32-L213 HydrophobicContact CG2-CD2 4.04Å; I35-L213 HydrophobicContact CD1-CB 3.99Å; I35-L213 HydrophobicContact CD1-CD2 3.67Å; I35-L213 HydrophobicContact CD1-CG 4.45Å; Y64-L213 HydrophobicContact CE1-CD2 3.76Å; Y64-L213 HydrophobicContact CE1-CG 4.08Å; N209-L213 WeakPolarHBondContact O-CB 3.3Å; N209-L213 PolarHBondContact O-N 2.92Å; L210-L213 WeakPolarHBondContact O-CB 3.41Å; L210-L213 PolarHBondContact O-N 3.15Å; L210-L213 VanDerWaalsContact O-N 3.15Å; R211-L213 VanDerWaalsContact C-N 3.25Å; R211-L213 PolarHBondContact O-N 2.83Å; L213-E215 VanDerWaalsContact C-N 3.26Å; L213-E215 PolarHBondContact O-N 3.42Å; L213-R216 WeakPolarHBondContact O-CB 3.18Å; L213-R216 PolarHBondContact O-N 2.88Å
214T87.1Confident87.1Confident28 Ų2832.1 Ų32.117%0.17216%0.155CC..Hα-helixtrans-70.8-20.8179.759.40000114K60 Y64 L210 R211 R216K60-T214 VanDerWaalsContact CE-OG1 3.24Å; K60-T214 WeakPolarHBondContact CE-OG1 3.36Å; K60-T214 HydrophobicContact CG-CG2 4.35Å; Y64-T214 HydrophobicContact CD2-CG2 3.84Å; Y64-T214 HydrophobicContact CG-CG2 3.81Å; L210-T214 HydrophobicContact CD1-CG2 4.14Å; L210-T214 HydrophobicContact CG-CG2 4.2Å; L210-T214 WeakPolarHBondContact O-CG2 3.17Å; L210-T214 PolarHBondContact O-N 2.87Å; L210-T214 PolarHBondContact O-OG1 3.24Å; R211-T214 WeakPolarHBondContact CA-OG1 3.46Å; R211-T214 PolarHBondContact O-N 2.77Å; R211-T214 VanDerWaalsContact O-N 3.13Å; R211-T214 PolarHBondContact O-OG1 3.33Å; T214-R216 VanDerWaalsContact C-N 3.3Å
215E84.6Confident86.7Confident76 Ų7630.9 Ų30.936%0.35515%0.149SC..THydrogen-bonded Turntrans-81.6-11.3175.2-74.9171.1-177.600111.9R211 M212 L213 H409R211-E215 WeakPolarHBondContact CD-OE1 3.4Å; R211-E215 HydrophobicContact CG-CG 4.3Å; R211-E215 WeakPolarHBondContact CG-OE1 3.17Å; R211-E215 WeakPolarHBondContact O-CB 3.37Å; R211-E215 WeakPolarHBondContact O-CG 3.17Å; R211-E215 PolarHBondContact O-N 3Å; M212-E215 PolarHBondContact O-N 3.41Å; L213-E215 VanDerWaalsContact C-N 3.26Å; L213-E215 PolarHBondContact O-N 3.42Å; E215-H409 PolarHBondContact O-CE1 3.41Å; E215-H409 PolarHBondContact O-NE2 2.96Å
216R89.5Confident85.8Confident76 Ų7629.4 Ų29.429%0.28714%0.141SC..SBendtrans-64147.3176.3-69.5-172.1171.7150.14.4112L213 T214 D218 E414L213-R216 WeakPolarHBondContact O-CB 3.18Å; L213-R216 PolarHBondContact O-N 2.88Å; T214-R216 VanDerWaalsContact C-N 3.3Å; R216-D218 PolarHBondContact O-N 3.43Å; R216-E414 WeakPolarHBondContact CG-OE1 3.32Å; R216-E414 IonicContact CZ-OE1 2.83Å; R216-E414 IonicContact NE-OE1 3.72Å; R216-E414 PolarHBondContact NE-OE1 3.01Å; R216-E414 IonicContact NH2-OE1 3.45Å
217I90.8Very high84.8Confident7 Ų730.4 Ų30.44%0.03615%0.148CC..  trans-78.1119.2175.2-51.7-177.2000109.2F221 I222 V416 L418 L446I217-F221 HydrophobicContact CB-CD1 4.43Å; I217-F221 HydrophobicContact CG1-CD1 4.31Å; I217-F221 HydrophobicContact CG1-CE1 4.3Å; I217-F221 HydrophobicContact CG2-CD1 4.08Å; I217-I222 HydrophobicContact CG2-CD1 3.87Å; I217-I222 HydrophobicContact CG2-CG1 3.66Å; I217-V416 HydrophobicContact CB-CB 4.1Å; I217-V416 HydrophobicContact CB-CG1 3.8Å; I217-V416 HydrophobicContact CD1-CG1 4.41Å; I217-V416 HydrophobicContact CG2-CB 4.33Å; I217-V416 HydrophobicContact CG2-CG1 3.56Å; I217-L418 HydrophobicContact CD1-CB 4.29Å; I217-L418 HydrophobicContact CD1-CD1 3.8Å; I217-L418 HydrophobicContact CD1-CG 3.57Å; I217-L446 HydrophobicContact CD1-CD1 3.96Å; I217-L446 HydrophobicContact CG2-CD1 4.05Å
218D89.5Confident84Confident7 Ų734.7 Ų34.74%0.03717%0.165CC..  trans-136176.3170.974.88.7000110.7R28 R216 V220 F221 I222 V703R28-D218 IonicContact CZ-OD1 2.72Å; R28-D218 IonicContact CZ-OD2 3.7Å; R28-D218 IonicContact NE-OD2 3.61Å; R28-D218 PolarHBondContact NE-OD2 3.32Å; R28-D218 IonicContact NH2-OD1 3.65Å; R28-D218 PolarHBondContact NH2-OD1 2.9Å; R28-D218 IonicContact NH2-OD2 3.81Å; R28-D218 PolarHBondContact NH2-OD2 3.29Å; R216-D218 PolarHBondContact O-N 3.43Å; D218-V220 PolarHBondContact O-N 3.34Å; D218-V220 PolarHBondContact OD1-N 2.95Å; D218-V220 VanDerWaalsContact OD1-N 3.12Å; D218-F221 PolarHBondContact O-N 3.36Å; D218-F221 PolarHBondContact OD1-N 3.01Å; D218-I222 WeakPolarHBondContact O-CG1 3.46Å; D218-I222 PolarHBondContact O-N 2.9Å; D218-V703 HydrophobicContact CB-CG1 4.25Å; D218-V703 HydrophobicContact CB-CG2 4.23Å
219P86.3Confident83.8Confident23 Ų2331.8 Ų31.815%0.14915%0.15CC..Hα-helixtrans-56.1-33.9-177-29.437.3000114.7F20 E223 E700F20-P219 HydrophobicContact CD1-CB 4.08Å; F20-P219 HydrophobicContact CE1-CB 4.07Å; P219-E223 PolarHBondContact O-N 2.91Å; P219-E700 HydrophobicContact CG-CB 3.92Å; P219-E700 HydrophobicContact CG-CG 4.17Å
220V85.5Confident83.5Confident1 Ų129.9 Ų29.91%0.00614%0.14CC..Hα-helixtrans-77.1-40.2-179.4-175.30000110.6F20 R28 F67 D218 I222 E223 Y224F20-V220 HydrophobicContact CD1-CG2 3.89Å; F20-V220 HydrophobicContact CD2-CG2 4.02Å; F20-V220 HydrophobicContact CE1-CB 4.18Å; F20-V220 HydrophobicContact CE1-CG2 3.73Å; F20-V220 HydrophobicContact CE2-CB 4.34Å; F20-V220 HydrophobicContact CE2-CG1 4.2Å; F20-V220 HydrophobicContact CE2-CG2 3.85Å; F20-V220 HydrophobicContact CG-CG2 4.04Å; F20-V220 HydrophobicContact CZ-CB 3.92Å; F20-V220 HydrophobicContact CZ-CG1 4.09Å; F20-V220 HydrophobicContact CZ-CG2 3.7Å; R28-V220 VanDerWaalsContact NH2-CB 3.3Å; F67-V220 HydrophobicContact CB-CG1 4.24Å; F67-V220 HydrophobicContact CB-CG2 4.13Å; F67-V220 HydrophobicContact CD1-CG2 3.52Å; F67-V220 HydrophobicContact CE1-CG2 4.05Å; F67-V220 HydrophobicContact CG-CG2 4Å; D218-V220 PolarHBondContact O-N 3.34Å; D218-V220 PolarHBondContact OD1-N 2.95Å; D218-V220 VanDerWaalsContact OD1-N 3.12Å; V220-I222 VanDerWaalsContact C-N 3.27Å; V220-I222 PolarHBondContact O-N 3.48Å; V220-E223 PolarHBondContact O-N 3.32Å; V220-Y224 PolarHBondContact O-N 3.03Å
221F86.7Confident82.9Confident33 Ų3330.4 Ų30.415%0.14514%0.142CC..Hα-helixtrans-57.6-45171.5-180-85.5000110.1I217 D218 Y224 F225 V326 H409I217-F221 HydrophobicContact CB-CD1 4.43Å; I217-F221 HydrophobicContact CG1-CD1 4.31Å; I217-F221 HydrophobicContact CG1-CE1 4.3Å; I217-F221 HydrophobicContact CG2-CD1 4.08Å; D218-F221 PolarHBondContact O-N 3.36Å; D218-F221 PolarHBondContact OD1-N 3.01Å; F221-Y224 PolarHBondContact O-N 2.8Å; F221-F225 HydrophobicContact CD1-CB 4.17Å; F221-F225 HydrophobicContact CE1-CB 3.99Å; F221-F225 HydrophobicContact CE1-CG 4.3Å; F221-F225 WeakPolarHBondContact O-CB 3.35Å; F221-F225 PolarHBondContact O-N 3.5Å; F221-V326 HydrophobicContact CE1-CG1 4.34Å; F221-V326 HydrophobicContact CZ-CG1 4.15Å; F221-V326 HydrophobicContact CZ-CG2 4.16Å; F221-H409 AromaticContact CZ-NE2 3.83Å
222I85.5Confident82.8Confident4 Ų431 Ų312%0.02115%0.153CC..Hα-helixtrans-62-44.6178.5-67.8165.7000111.1I217 D218 V220 Y224 F225 V226 L446 W688 L696 V699I217-I222 HydrophobicContact CG2-CD1 3.87Å; I217-I222 HydrophobicContact CG2-CG1 3.66Å; D218-I222 WeakPolarHBondContact O-CG1 3.46Å; D218-I222 PolarHBondContact O-N 2.9Å; V220-I222 VanDerWaalsContact C-N 3.27Å; V220-I222 PolarHBondContact O-N 3.48Å; I222-Y224 PolarHBondContact O-N 3.31Å; I222-F225 PolarHBondContact O-N 2.98Å; I222-V226 HydrophobicContact CG2-CG2 4.1Å; I222-V226 WeakPolarHBondContact O-CB 3.43Å; I222-V226 WeakPolarHBondContact O-CG2 3.14Å; I222-V226 PolarHBondContact O-N 3.3Å; I222-L446 HydrophobicContact CD1-CD2 3.83Å; I222-L446 HydrophobicContact CG1-CD2 4.25Å; I222-W688 HydrophobicContact CG2-CH2 4.16Å; I222-W688 HydrophobicContact CG2-CZ3 4.03Å; I222-L696 HydrophobicContact CD1-CD2 4.2Å; I222-L696 HydrophobicContact CG2-CD2 3.71Å; I222-V699 HydrophobicContact CD1-CB 4.18Å; I222-V699 HydrophobicContact CD1-CG1 3.37Å; I222-V699 HydrophobicContact CD1-CG2 4.06Å
223E80.1Confident82.8Confident19 Ų1926.3 Ų26.39%0.08913%0.13CC..Hα-helixtrans-55.1-54.9174.8-174.2-161.9-162.400110.4R16 F20 P219 V220 F225 V226 C227 I685 I689R16-E223 IonicContact CZ-OE2 2.69Å; R16-E223 IonicContact NH1-OE2 2.75Å; R16-E223 IonicContact NH2-OE1 2.85Å; R16-E223 IonicContact NH2-OE2 2.93Å; R16-E223 PolarHBondContact NH2-OE2 3.28Å; F20-E223 WeakPolarHBondContact CE2-OE2 3.45Å; F20-E223 HydrophobicContact CZ-CB 4.03Å; F20-E223 HydrophobicContact CZ-CG 4.48Å; F20-E223 WeakPolarHBondContact CZ-OE2 3.49Å; P219-E223 PolarHBondContact O-N 2.91Å; V220-E223 PolarHBondContact O-N 3.32Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 3.08Å; E223-V226 PolarHBondContact O-N 3.21Å; E223-C227 PolarHBondContact O-N 3.36Å; E223-C227 PolarHBondContact O-SG 3.37Å; E223-I685 HydrophobicContact CG-CG2 4.17Å; E223-I689 HydrophobicContact CG-CD1 4.37Å
224Y77.2Confident82.6Confident62 Ų6226.2 Ų26.224%0.24313%0.13CC..Hα-helixtrans-58.9-45.3-179.9176.1-91.5000112.6M72 V220 F221 I222 V226 C227 K228M72-Y224 HydrophobicContact CG-CD2 4.39Å; M72-Y224 HydrophobicContact SD-CD2 4.12Å; V220-Y224 PolarHBondContact O-N 3.03Å; F221-Y224 PolarHBondContact O-N 2.8Å; I222-Y224 PolarHBondContact O-N 3.31Å; Y224-V226 PolarHBondContact O-N 3Å; Y224-C227 WeakPolarHBondContact O-CB 3.25Å; Y224-C227 PolarHBondContact O-N 3.02Å; Y224-K228 HydrophobicContact CD2-CD 4.23Å; Y224-K228 HydrophobicContact CD2-CG 4.47Å; Y224-K228 HydrophobicContact CE1-CD 4.46Å; Y224-K228 HydrophobicContact CE2-CD 3.48Å; Y224-K228 VanDerWaalsContact CE2-CD 3.48Å; Y224-K228 HydrophobicContact CE2-CG 4.16Å; Y224-K228 PolarHBondContact O-N 3.35Å
225F81.2Confident82.4Confident4 Ų426.3 Ų26.32%0.01813%0.131CC..Hα-helixtrans-59.3-45178.6165.2-107.7000111.8F221 I222 E223 T229 F230 V326 I328 L464F221-F225 HydrophobicContact CD1-CB 4.17Å; F221-F225 HydrophobicContact CE1-CB 3.99Å; F221-F225 HydrophobicContact CE1-CG 4.3Å; F221-F225 WeakPolarHBondContact O-CB 3.35Å; F221-F225 PolarHBondContact O-N 3.5Å; I222-F225 PolarHBondContact O-N 2.98Å; E223-F225 VanDerWaalsContact C-N 3.35Å; E223-F225 PolarHBondContact O-N 3.08Å; F225-T229 HydrophobicContact CE2-CG2 4.42Å; F225-T229 PolarHBondContact O-N 3.45Å; F225-F230 HydrophobicContact CE1-CB 4.25Å; F225-F230 HydrophobicContact CZ-CB 4.31Å; F225-F230 PolarHBondContact O-N 3.28Å; F225-V326 HydrophobicContact CD2-CB 4.02Å; F225-V326 HydrophobicContact CD2-CG1 3.75Å; F225-V326 HydrophobicContact CD2-CG2 3.85Å; F225-V326 HydrophobicContact CE2-CB 3.79Å; F225-V326 HydrophobicContact CE2-CG1 3.49Å; F225-V326 VanDerWaalsContact CE2-CG1 3.49Å; F225-V326 HydrophobicContact CE2-CG2 4.15Å; F225-V326 HydrophobicContact CZ-CG1 4.38Å; F225-I328 HydrophobicContact CD2-CD1 4.5Å; F225-I328 HydrophobicContact CE2-CD1 3.34Å; F225-I328 HydrophobicContact CE2-CG1 3.71Å; F225-I328 HydrophobicContact CZ-CD1 3.43Å; F225-I328 VanDerWaalsContact CZ-CD1 3.43Å; F225-I328 HydrophobicContact CZ-CG1 3.69Å; F225-L464 HydrophobicContact CE1-CD1 3.53Å; F225-L464 HydrophobicContact CE1-CD2 4.14Å; F225-L464 HydrophobicContact CE1-CG 4.45Å; F225-L464 HydrophobicContact CZ-CD1 3.67Å
226V73.6Confident82.5Confident0 Ų023.5 Ų23.50%012%0.12CC..Iπ-helixtrans-63.7-47.8175.6171.40000110.2I222 E223 Y224 K228 I231 W688I222-V226 HydrophobicContact CG2-CG2 4.1Å; I222-V226 WeakPolarHBondContact O-CB 3.43Å; I222-V226 WeakPolarHBondContact O-CG2 3.14Å; I222-V226 PolarHBondContact O-N 3.3Å; E223-V226 PolarHBondContact O-N 3.21Å; Y224-V226 PolarHBondContact O-N 3Å; V226-K228 PolarHBondContact O-N 3.33Å; V226-I231 HydrophobicContact CG1-CD1 4.34Å; V226-I231 WeakPolarHBondContact O-CD1 3.46Å; V226-I231 VanDerWaalsContact O-CG1 3.24Å; V226-I231 WeakPolarHBondContact O-CG1 3.29Å; V226-I231 PolarHBondContact O-N 2.99Å; V226-W688 HydrophobicContact CB-CE3 4.48Å; V226-W688 HydrophobicContact CG1-CB 4.47Å; V226-W688 HydrophobicContact CG1-CD2 3.85Å; V226-W688 HydrophobicContact CG1-CE3 4.04Å; V226-W688 HydrophobicContact CG1-CG 4.03Å; V226-W688 HydrophobicContact CG2-CD2 4.09Å; V226-W688 HydrophobicContact CG2-CE3 3.84Å; V226-W688 HydrophobicContact CG2-CH2 3.63Å; V226-W688 HydrophobicContact CG2-CZ2 3.87Å; V226-W688 HydrophobicContact CG2-CZ3 3.59Å
227C69.4Low82.6Confident23 Ų2320 Ų2016%0.15511%0.106CC..Iπ-helixtrans-58.2-49-178.3-65.70000113.1M72 E223 Y224 I685M72-C227 HydrophobicContact CE-CB 4.35Å; M72-C227 HydrophobicContact SD-CB 4.43Å; E223-C227 PolarHBondContact O-N 3.36Å; E223-C227 PolarHBondContact O-SG 3.37Å; Y224-C227 WeakPolarHBondContact O-CB 3.25Å; Y224-C227 PolarHBondContact O-N 3.02Å; C227-I685 HydrophobicContact CB-CD1 3.94Å; C227-I685 HydrophobicContact CB-CG1 4.28Å; C227-I685 WeakPolarHBondContact SG-CD1 3.19Å; C227-I685 WeakPolarHBondContact SG-CG1 3.13Å
228K72.5Confident82.3Confident95 Ų9521 Ų2141%0.41311%0.111SC..Iπ-helixtrans-103.6-40.5-166.2-62.2-156.6-171.9-178.70113.9Y224 V226 S232Y224-K228 HydrophobicContact CD2-CD 4.23Å; Y224-K228 HydrophobicContact CD2-CG 4.47Å; Y224-K228 HydrophobicContact CE1-CD 4.46Å; Y224-K228 HydrophobicContact CE2-CD 3.48Å; Y224-K228 VanDerWaalsContact CE2-CD 3.48Å; Y224-K228 HydrophobicContact CE2-CG 4.16Å; Y224-K228 PolarHBondContact O-N 3.35Å; V226-K228 PolarHBondContact O-N 3.33Å; K228-S232 WeakPolarHBondContact O-CB 3.39Å
229T80.5Confident82.2Confident16 Ų1625.5 Ų25.510%0.09813%0.13CC..Iπ-helixtrans-99.3-52.9-168.6-500000111F225 S232 F233 E323 V326 I328F225-T229 HydrophobicContact CE2-CG2 4.42Å; F225-T229 PolarHBondContact O-N 3.45Å; T229-S232 PolarHBondContact O-N 2.91Å; T229-F233 WeakPolarHBondContact O-CB 3.26Å; T229-F233 PolarHBondContact O-N 3.32Å; T229-E323 HydrophobicContact CG2-CG 3.69Å; T229-E323 VanDerWaalsContact CG2-OE2 3.25Å; T229-E323 WeakPolarHBondContact CG2-OE2 3.09Å; T229-V326 HydrophobicContact CG2-CG2 4.39Å; T229-I328 HydrophobicContact CG2-CD1 3.97Å
230F82.8Confident82.3Confident3 Ų324.4 Ų24.41%0.01312%0.123CC..Iπ-helixtrans-68.1-48.4-172.9175.8-109000113F225 S232 F233 A234 I328 L464F225-F230 HydrophobicContact CE1-CB 4.25Å; F225-F230 HydrophobicContact CZ-CB 4.31Å; F225-F230 PolarHBondContact O-N 3.28Å; F230-S232 VanDerWaalsContact C-N 3.3Å; F230-S232 PolarHBondContact O-N 3.15Å; F230-F233 WeakPolarHBondContact O-CB 3.43Å; F230-F233 PolarHBondContact O-N 3.06Å; F230-F233 VanDerWaalsContact O-N 3.17Å; F230-A234 HydrophobicContact CZ-CB 4.48Å; F230-A234 PolarHBondContact O-N 3.42Å; F230-I328 HydrophobicContact CB-CD1 4.24Å; F230-I328 HydrophobicContact CD2-CD1 4.27Å; F230-L464 HydrophobicContact CD2-CB 4.31Å; F230-L464 HydrophobicContact CE2-CB 4.09Å; F230-L464 WeakPolarHBondContact CE2-O 3.23Å; F230-L464 WeakPolarHBondContact CZ-O 3.48Å
231I78.8Confident82.5Confident13 Ų1324.4 Ų24.47%0.06712%0.123CC..Hα-helixtrans-61-41.1178.7-69.3167.7000110.8V226 T235 I685V226-I231 HydrophobicContact CG1-CD1 4.34Å; V226-I231 WeakPolarHBondContact O-CD1 3.46Å; V226-I231 VanDerWaalsContact O-CG1 3.24Å; V226-I231 WeakPolarHBondContact O-CG1 3.29Å; V226-I231 PolarHBondContact O-N 2.99Å; I231-T235 VanDerWaalsContact O-CB 3.28Å; I231-T235 WeakPolarHBondContact O-CB 3.39Å; I231-T235 PolarHBondContact O-N 3.12Å; I231-T235 PolarHBondContact O-OG1 3.01Å; I231-I685 HydrophobicContact CD1-CG1 4.31Å
232S81.1Confident82.5Confident54 Ų5426.7 Ų26.738%0.37813%0.131SC..Hα-helixtrans-62.5-42.8176.2-172.30000111.8K228 T229 F230 S236 I267K228-S232 WeakPolarHBondContact O-CB 3.39Å; T229-S232 PolarHBondContact O-N 2.91Å; F230-S232 VanDerWaalsContact C-N 3.3Å; F230-S232 PolarHBondContact O-N 3.15Å; S232-S236 PolarHBondContact O-N 3.26Å; S232-S236 PolarHBondContact O-OG 3.35Å; S232-I267 WeakPolarHBondContact O-CD1 3.5Å; S232-I267 WeakPolarHBondContact OG-CD1 3.19Å
233F87.3Confident82.6Confident0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-63-51.8177.2176.1-99.9000111.9T229 F230 T235 S236 F237 L264 E323 I328 C330 T465 I468T229-F233 WeakPolarHBondContact O-CB 3.26Å; T229-F233 PolarHBondContact O-N 3.32Å; F230-F233 WeakPolarHBondContact O-CB 3.43Å; F230-F233 PolarHBondContact O-N 3.06Å; F230-F233 VanDerWaalsContact O-N 3.17Å; F233-T235 VanDerWaalsContact C-N 3.28Å; F233-T235 PolarHBondContact O-N 3.48Å; F233-S236 PolarHBondContact O-N 2.83Å; F233-S236 VanDerWaalsContact O-N 3.16Å; F233-F237 HydrophobicContact CZ-CD2 4.19Å; F233-F237 PolarHBondContact O-N 3.22Å; F233-L264 HydrophobicContact CE2-CD2 4.34Å; F233-E323 HydrophobicContact CD2-CB 4.06Å; F233-I328 HydrophobicContact CD1-CG2 3.59Å; F233-I328 HydrophobicContact CD2-CG2 4.42Å; F233-I328 HydrophobicContact CE1-CG2 3.56Å; F233-I328 HydrophobicContact CE2-CG2 4.4Å; F233-I328 HydrophobicContact CG-CG2 4.03Å; F233-I328 HydrophobicContact CZ-CG2 3.99Å; F233-C330 HydrophobicContact CE1-CB 3.93Å; F233-C330 HydrophobicContact CZ-CB 3.83Å; F233-T465 HydrophobicContact CE1-CG2 4.09Å; F233-I468 HydrophobicContact CD1-CD1 4.4Å; F233-I468 HydrophobicContact CE1-CD1 3.75Å
234A84Confident83Confident7 Ų726.2 Ų26.26%0.05813%0.13CC..Hα-helixtrans-59-41.1178.900000111.6F230 F237 E238F230-A234 HydrophobicContact CZ-CB 4.48Å; F230-A234 PolarHBondContact O-N 3.42Å; A234-F237 PolarHBondContact O-N 3.43Å; A234-E238 PolarHBondContact O-N 3.28Å
235T82.8Confident83.4Confident29 Ų2924.4 Ų24.418%0.17812%0.124CC..Hα-helixtrans-61.4-44.4175.8-61.50000112.3I231 F233 F237 E238 F239 A676 T680I231-T235 VanDerWaalsContact O-CB 3.28Å; I231-T235 WeakPolarHBondContact O-CB 3.39Å; I231-T235 PolarHBondContact O-N 3.12Å; I231-T235 PolarHBondContact O-OG1 3.01Å; F233-T235 VanDerWaalsContact C-N 3.28Å; F233-T235 PolarHBondContact O-N 3.48Å; T235-F237 VanDerWaalsContact C-N 3.32Å; T235-F237 PolarHBondContact O-N 2.89Å; T235-E238 PolarHBondContact O-N 2.8Å; T235-F239 WeakPolarHBondContact O-CB 3.46Å; T235-F239 PolarHBondContact O-N 3.48Å; T235-A676 HydrophobicContact CG2-CB 3.52Å; T235-T680 HydrophobicContact CG2-CG2 4.5Å
236S88Confident83.5Confident18 Ų1827.9 Ų27.913%0.12615%0.149CC..Hα-helixtrans-70.9-31.2179.7-66.80000112.8S232 F233 F239 A240 I267S232-S236 PolarHBondContact O-N 3.26Å; S232-S236 PolarHBondContact O-OG 3.35Å; F233-S236 PolarHBondContact O-N 2.83Å; F233-S236 VanDerWaalsContact O-N 3.16Å; S236-F239 PolarHBondContact O-N 2.83Å; S236-A240 PolarHBondContact O-N 3.42Å; S236-I267 VanDerWaalsContact CB-CD1 3.48Å; S236-I267 WeakPolarHBondContact OG-CD1 3.49Å
237F89.9Confident84Confident1 Ų128.3 Ų28.30%0.00415%0.151CC..Hα-helixtrans-65.6-46.5171.7-155.1-72.9000110.8F233 A234 T235 F239 A240 L241 L264 I319 C330 R332 Y334 I468F233-F237 HydrophobicContact CZ-CD2 4.19Å; F233-F237 PolarHBondContact O-N 3.22Å; A234-F237 PolarHBondContact O-N 3.43Å; T235-F237 VanDerWaalsContact C-N 3.32Å; T235-F237 PolarHBondContact O-N 2.89Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.15Å; F237-A240 WeakPolarHBondContact O-CB 3.01Å; F237-A240 PolarHBondContact O-N 3.34Å; F237-A240 VanDerWaalsContact O-N 3.12Å; F237-L241 HydrophobicContact CD1-CD1 4.11Å; F237-L241 HydrophobicContact CD1-CG 4.12Å; F237-L241 HydrophobicContact CE1-CD1 4.28Å; F237-L241 HydrophobicContact CE1-CD2 4.22Å; F237-L241 HydrophobicContact CE1-CG 4.27Å; F237-L241 WeakPolarHBondContact O-CG 3.36Å; F237-L241 PolarHBondContact O-N 3.5Å; F237-L264 HydrophobicContact CB-CD2 4.12Å; F237-L264 HydrophobicContact CD2-CD1 4.2Å; F237-L264 HydrophobicContact CD2-CD2 4.03Å; F237-L264 HydrophobicContact CG-CD2 4.42Å; F237-I319 HydrophobicContact CE1-CG2 4.22Å; F237-I319 HydrophobicContact CZ-CD1 4.47Å; F237-I319 HydrophobicContact CZ-CG1 4.41Å; F237-I319 HydrophobicContact CZ-CG2 3.73Å; F237-C330 HydrophobicContact CD2-CB 4.38Å; F237-C330 HydrophobicContact CE2-CB 3.94Å; F237-R332 HydrophobicContact CZ-CG 4.23Å; F237-Y334 HydrophobicContact CE1-CE2 4.38Å; F237-I468 HydrophobicContact CB-CD1 4.17Å; F237-I468 HydrophobicContact CD1-CD1 4.33Å; F237-I468 HydrophobicContact CD1-CG1 4.41Å; F237-I468 HydrophobicContact CD1-CG2 3.5Å; F237-I468 HydrophobicContact CD2-CD1 3.92Å; F237-I468 HydrophobicContact CE1-CG2 3.29Å; F237-I468 HydrophobicContact CE2-CD1 4.37Å; F237-I468 HydrophobicContact CE2-CG2 4.38Å; F237-I468 HydrophobicContact CG-CD1 3.88Å; F237-I468 HydrophobicContact CG-CG1 4.35Å; F237-I468 HydrophobicContact CG-CG2 4.14Å; F237-I468 HydrophobicContact CZ-CG2 3.76Å
238E84.9Confident84.5Confident29 Ų2928.2 Ų28.214%0.13615%0.148CC..Hα-helixtrans-62.1-38.7175.3176.654.4-151.900112.2A234 T235 A240 L241 R242 R530 T680A234-E238 PolarHBondContact O-N 3.28Å; T235-E238 PolarHBondContact O-N 2.8Å; E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 2.96Å; E238-L241 PolarHBondContact O-N 3.35Å; E238-R242 WeakPolarHBondContact O-CG 3.45Å; E238-R242 PolarHBondContact O-N 2.96Å; E238-R242 IonicContact OE1-CZ 2.9Å; E238-R242 IonicContact OE1-NE 3.45Å; E238-R242 PolarHBondContact OE1-NE 2.97Å; E238-R242 IonicContact OE1-NH2 3.06Å; E238-R530 VanDerWaalsContact CD-NH1 3.27Å; E238-R530 IonicContact OE1-CZ 3.9Å; E238-R530 IonicContact OE1-NH1 3.88Å; E238-R530 PolarHBondContact OE1-NH1 2.93Å; E238-R530 IonicContact OE1-NH2 2.87Å; E238-R530 PolarHBondContact OE1-NH2 3.04Å; E238-R530 IonicContact OE2-CZ 2.68Å; E238-R530 IonicContact OE2-NH1 3.78Å; E238-R530 PolarHBondContact OE2-NH1 3.36Å; E238-R530 IonicContact OE2-NH2 2.73Å; E238-T680 HydrophobicContact CB-CG2 3.73Å; E238-T680 HydrophobicContact CG-CG2 3.65Å
239F87.8Confident84.7Confident101 Ų10129.8 Ų29.844%0.44316%0.157SC..Hα-helixtrans-59.9-40.1173-179.3-96.7000112.1T235 S236 F237 R242 T243T235-F239 WeakPolarHBondContact O-CB 3.46Å; T235-F239 PolarHBondContact O-N 3.48Å; S236-F239 PolarHBondContact O-N 2.83Å; F237-F239 VanDerWaalsContact C-N 3.32Å; F237-F239 PolarHBondContact O-N 3.15Å; F239-R242 PolarHBondContact O-N 2.73Å; F239-T243 PolarHBondContact O-N 2.87Å; F239-T243 PolarHBondContact O-OG1 3.49Å
240A89.5Confident84.3Confident0 Ų035 Ų350%018%0.178CC..Hα-helixtrans-62.1-45.6174.100000111.4S236 F237 E238 R242 T243 I244 Q260 L264 I319S236-A240 PolarHBondContact O-N 3.42Å; F237-A240 WeakPolarHBondContact O-CB 3.01Å; F237-A240 PolarHBondContact O-N 3.34Å; F237-A240 VanDerWaalsContact O-N 3.12Å; E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 2.96Å; A240-R242 VanDerWaalsContact C-N 3.31Å; A240-R242 PolarHBondContact O-N 2.84Å; A240-T243 PolarHBondContact O-N 3.19Å; A240-I244 WeakPolarHBondContact O-CG1 3.16Å; A240-I244 PolarHBondContact O-N 2.91Å; A240-Q260 WeakPolarHBondContact CA-O 3.47Å; A240-Q260 WeakPolarHBondContact CB-O 3.43Å; A240-L264 HydrophobicContact CB-CD1 4.12Å; A240-L264 HydrophobicContact CB-CG 4.36Å; A240-I319 HydrophobicContact CB-CD1 4.03Å
241L89Confident83.6Confident1 Ų141.1 Ų41.11%0.00521%0.211CC..Hα-helixtrans-60.9-37.6176.2-61.9-179.7000112.9F237 E238 I244 D245 Y334 P469 W474 R530F237-L241 HydrophobicContact CD1-CD1 4.11Å; F237-L241 HydrophobicContact CD1-CG 4.12Å; F237-L241 HydrophobicContact CE1-CD1 4.28Å; F237-L241 HydrophobicContact CE1-CD2 4.22Å; F237-L241 HydrophobicContact CE1-CG 4.27Å; F237-L241 WeakPolarHBondContact O-CG 3.36Å; F237-L241 PolarHBondContact O-N 3.5Å; E238-L241 PolarHBondContact O-N 3.35Å; L241-I244 WeakPolarHBondContact O-CB 3.22Å; L241-I244 PolarHBondContact O-N 3.17Å; L241-D245 VanDerWaalsContact O-CG 3.23Å; L241-D245 PolarHBondContact O-N 3Å; L241-Y334 HydrophobicContact CD2-CD2 4.24Å; L241-Y334 HydrophobicContact CD2-CE2 3.53Å; L241-P469 HydrophobicContact CD1-CG 4.18Å; L241-W474 HydrophobicContact CD2-CH2 4.19Å; L241-R530 VanDerWaalsContact CB-CZ 3.43Å
242R86.4Confident82.9Confident81 Ų8141.7 Ų41.731%0.30621%0.214SC..Hα-helixtrans-68.2-39.4175.9-72.6170.3178.8-140-20.6113E238 F239 A240 I244 D245 S246 R530 L679E238-R242 WeakPolarHBondContact O-CG 3.45Å; E238-R242 PolarHBondContact O-N 2.96Å; E238-R242 IonicContact OE1-CZ 2.9Å; E238-R242 IonicContact OE1-NE 3.45Å; E238-R242 PolarHBondContact OE1-NE 2.97Å; E238-R242 IonicContact OE1-NH2 3.06Å; F239-R242 PolarHBondContact O-N 2.73Å; A240-R242 VanDerWaalsContact C-N 3.31Å; A240-R242 PolarHBondContact O-N 2.84Å; R242-I244 PolarHBondContact O-N 2.78Å; R242-D245 WeakPolarHBondContact O-CB 3.36Å; R242-D245 PolarHBondContact O-N 3.18Å; R242-S246 PolarHBondContact O-N 3.2Å; R242-S246 VanDerWaalsContact O-N 3.08Å; R242-S246 PolarHBondContact O-OG 3.31Å; R242-R530 VanDerWaalsContact CG-NH2 3.33Å; R242-L679 VanDerWaalsContact NH1-CB 3.33Å; R242-L679 PolarHBondContact NH2-O 3.44Å; R242-L679 VanDerWaalsContact NH2-O 3.16Å
243T87.8Confident82.3Confident13 Ų1341.6 Ų41.68%0.0821%0.213CC..Hα-helixtrans-62.2-41.3175.3-53.40000109F239 A240 S246 T247 K259 Q260F239-T243 PolarHBondContact O-N 2.87Å; F239-T243 PolarHBondContact O-OG1 3.49Å; A240-T243 PolarHBondContact O-N 3.19Å; T243-S246 PolarHBondContact O-N 3.03Å; T243-S246 PolarHBondContact O-OG 3.18Å; T243-T247 HydrophobicContact CG2-CG2 4.47Å; T243-T247 WeakPolarHBondContact O-CB 3.26Å; T243-T247 VanDerWaalsContact O-CG2 3.28Å; T243-T247 WeakPolarHBondContact O-CG2 3.43Å; T243-T247 PolarHBondContact O-N 3.47Å; T243-T247 VanDerWaalsContact O-N 3.13Å; T243-T247 PolarHBondContact O-OG1 3.06Å; T243-K259 HydrophobicContact CG2-CG 4.34Å; T243-Q260 HydrophobicContact CG2-CB 4.32Å; T243-Q260 HydrophobicContact CG2-CG 3.88Å
244I87.4Confident81.4Confident1 Ų147.2 Ų47.21%0.00524%0.237CC..Hα-helixtrans-61.8-45.5171.7-64.1165.5000111.9A240 L241 R242 S246 T247 Y248 Q260 M317 I319 W474A240-I244 WeakPolarHBondContact O-CG1 3.16Å; A240-I244 PolarHBondContact O-N 2.91Å; L241-I244 WeakPolarHBondContact O-CB 3.22Å; L241-I244 PolarHBondContact O-N 3.17Å; R242-I244 PolarHBondContact O-N 2.78Å; I244-S246 PolarHBondContact O-N 3.28Å; I244-S246 VanDerWaalsContact O-N 3.13Å; I244-T247 WeakPolarHBondContact CA-OG1 3.49Å; I244-T247 PolarHBondContact O-N 3.17Å; I244-Y248 PolarHBondContact O-N 3.5Å; I244-Q260 HydrophobicContact CG1-CB 4.29Å; I244-Q260 HydrophobicContact CG1-CG 4.01Å; I244-M317 HydrophobicContact CD1-CE 3.91Å; I244-M317 HydrophobicContact CD1-SD 4.27Å; I244-M317 HydrophobicContact CG2-CE 4.06Å; I244-I319 HydrophobicContact CD1-CD1 4.42Å; I244-W474 HydrophobicContact CB-CZ2 4.22Å; I244-W474 HydrophobicContact CG2-CD2 4.18Å; I244-W474 HydrophobicContact CG2-CH2 4.04Å; I244-W474 HydrophobicContact CG2-CZ2 3.62Å; I244-W474 HydrophobicContact CG2-CZ3 4.48Å
245D85.9Confident81Confident24 Ų2454.2 Ų54.213%0.12827%0.269CS..Hα-helixtrans-52.7-37.9176.9-67.4-31.9000112.1L241 R242 Y248 W474 K529 R530L241-D245 VanDerWaalsContact O-CG 3.23Å; L241-D245 PolarHBondContact O-N 3Å; R242-D245 WeakPolarHBondContact O-CB 3.36Å; R242-D245 PolarHBondContact O-N 3.18Å; D245-Y248 WeakPolarHBondContact O-CD1 3.37Å; D245-W474 PolarHBondContact OD1-NE1 2.68Å; D245-K529 HydrophobicContact CB-CD 4.31Å; D245-R530 VanDerWaalsContact CG-NE 3.35Å; D245-R530 WeakPolarHBondContact OD1-CG 3.37Å; D245-R530 IonicContact OD1-NE 2.7Å; D245-R530 PolarHBondContact OD1-NE 3.22Å; D245-R530 IonicContact OD2-CZ 3.62Å; D245-R530 VanDerWaalsContact OD2-CZ 3.24Å; D245-R530 IonicContact OD2-NE 3.31Å; D245-R530 PolarHBondContact OD2-NE 3.21Å; D245-R530 IonicContact OD2-NH2 2.98Å; D245-R530 PolarHBondContact OD2-NH2 3.49Å
246S84.3Confident80.6Confident76 Ų7654.2 Ų54.253%0.53127%0.268SS..Hα-helixtrans-82.4-17.7179.268.50000114.1R242 T243 I244 F250R242-S246 PolarHBondContact O-N 3.2Å; R242-S246 VanDerWaalsContact O-N 3.08Å; R242-S246 PolarHBondContact O-OG 3.31Å; T243-S246 PolarHBondContact O-N 3.03Å; T243-S246 PolarHBondContact O-OG 3.18Å; I244-S246 PolarHBondContact O-N 3.28Å; I244-S246 VanDerWaalsContact O-N 3.13Å; S246-F250 WeakPolarHBondContact O-CE2 3.42Å
247T83.1Confident80Confident9 Ų953.3 Ų53.36%0.05526%0.262CS..Hα-helixtrans-122.3-11.7-166.457.10000116.1T243 I244 Q249 F250 L256 Q260T243-T247 HydrophobicContact CG2-CG2 4.47Å; T243-T247 WeakPolarHBondContact O-CB 3.26Å; T243-T247 VanDerWaalsContact O-CG2 3.28Å; T243-T247 WeakPolarHBondContact O-CG2 3.43Å; T243-T247 PolarHBondContact O-N 3.47Å; T243-T247 VanDerWaalsContact O-N 3.13Å; T243-T247 PolarHBondContact O-OG1 3.06Å; I244-T247 WeakPolarHBondContact CA-OG1 3.49Å; I244-T247 PolarHBondContact O-N 3.17Å; T247-Q249 PolarHBondContact O-N 3.46Å; T247-F250 HydrophobicContact CG2-CD2 4.15Å; T247-F250 HydrophobicContact CG2-CE2 4.44Å; T247-F250 PolarHBondContact O-N 3.38Å; T247-L256 HydrophobicContact CG2-CD1 3.65Å; T247-L256 HydrophobicContact CG2-CG 4.25Å; T247-Q260 PolarHBondContact OG1-NE2 3.46Å
248Y80.5Confident79.5Confident21 Ų2157 Ų578%0.08228%0.279CS..THydrogen-bonded Turntrans-60.6-23.2-173.381.1-80.3000114.9I244 D245 W474 T475I244-Y248 PolarHBondContact O-N 3.5Å; D245-Y248 WeakPolarHBondContact O-CD1 3.37Å; Y248-W474 AromaticContact CD1-CD1 3.83Å; Y248-W474 HydrophobicContact CD1-CG 4.4Å; Y248-W474 HydrophobicContact CD2-CB 3.74Å; Y248-W474 HydrophobicContact CD2-CG 4.37Å; Y248-W474 HydrophobicContact CE2-CB 3.94Å; Y248-W474 HydrophobicContact CG-CB 4.05Å; Y248-W474 HydrophobicContact CG-CG 4.18Å; Y248-T475 PolarHBondContact OH-O 2.94Å
249Q75.9Confident79.4Confident128 Ų12861.6 Ų61.660%0.59830%0.298SS*.THydrogen-bonded Turntrans-83.8-18.4176.4-63.8-174-6.400113.4T247T247-Q249 PolarHBondContact O-N 3.46Å
250F73.8Confident79.2Confident125 Ų12556.8 Ų56.855%0.54828%0.277SS..SBendtrans-77.1151.1179.7-59.5-52.8000111.1S246 T247 Q252 L256S246-F250 WeakPolarHBondContact O-CE2 3.42Å; T247-F250 HydrophobicContact CG2-CD2 4.15Å; T247-F250 HydrophobicContact CG2-CE2 4.44Å; T247-F250 PolarHBondContact O-N 3.38Å; F250-Q252 PolarHBondContact O-N 3.13Å; F250-L256 HydrophobicContact CB-CD2 4.14Å
251N66.7Low79Confident132 Ų13256.8 Ų56.871%0.70628%0.277SS*.PPolyproline II helixtrans-63.1122.4167.6-71.9-24.5000108.5S253N251-S253 PolarHBondContact O-N 2.87Å
252Q64.7Low78.9Confident25 Ų2561.8 Ų61.812%0.11730%0.301CS..PPolyproline II helixtrans-75.6124.6-173.7-66.5-159.3-0.700111.7F250 L256 Y290 H310F250-Q252 PolarHBondContact O-N 3.13Å; Q252-L256 HydrophobicContact CG-CD2 4.43Å; Q252-Y290 PolarHBondContact NE2-OH 2.69Å; Q252-H310 HydrophobicContact CB-CB 4.01Å; Q252-H310 HydrophobicContact CG-CB 3.82Å; Q252-H310 PolarHBondContact NE2-CD2 3.35Å
253S68.1Low78.8Confident53 Ų5358.5 Ų58.537%0.37129%0.292SS..PPolyproline II helixtrans-99.1160.6161.967.50000109.5N251 E255 L256 T257N251-S253 PolarHBondContact O-N 2.87Å; S253-E255 PolarHBondContact O-N 3.04Å; S253-L256 WeakPolarHBondContact O-CB 3.08Å; S253-L256 PolarHBondContact O-N 3.31Å; S253-L256 PolarHBondContact OG-N 2.99Å; S253-T257 PolarHBondContact O-N 2.84Å; S253-T257 PolarHBondContact O-OG1 3.11Å; S253-T257 VanDerWaalsContact O-OG1 3.07Å
254K69.1Low78.8Confident117 Ų11757.9 Ų57.951%0.50929%0.288SS..Hα-helixtrans-57-37.3173.6-171.5-179.7175.7-175.80112.2L256 T257 E258 F307 T309K254-L256 VanDerWaalsContact C-N 3.3Å; K254-L256 PolarHBondContact O-N 3.06Å; K254-T257 WeakPolarHBondContact CA-OG1 3.47Å; K254-T257 PolarHBondContact O-N 3.21Å; K254-T257 PolarHBondContact O-OG1 3.27Å; K254-T257 VanDerWaalsContact O-OG1 3.08Å; K254-E258 WeakPolarHBondContact CE-OE1 3.39Å; K254-E258 WeakPolarHBondContact O-CG 3.29Å; K254-E258 PolarHBondContact O-N 3.28Å; K254-F307 HydrophobicContact CG-CB 4.32Å; K254-T309 HydrophobicContact CB-CG2 4.24Å
255E74.5Confident78.8Confident154 Ų15458.3 Ų58.372%0.7229%0.291SS*.Hα-helixtrans-63.2-35.7176-62.9172.7177.100112.3S253 E258 K259S253-E255 PolarHBondContact O-N 3.04Å; E255-E258 PolarHBondContact O-N 3.38Å; E255-K259 WeakPolarHBondContact O-CB 3.14Å; E255-K259 PolarHBondContact O-N 3.35Å
256L74.4Confident78.8Confident29 Ų2960.1 Ų60.115%0.15231%0.306CS..Hα-helixtrans-70.2-42.1178.4-166.669.6000111.5T247 F250 Q252 S253 K254 E258 K259 Q260T247-L256 HydrophobicContact CG2-CD1 3.65Å; T247-L256 HydrophobicContact CG2-CG 4.25Å; F250-L256 HydrophobicContact CB-CD2 4.14Å; Q252-L256 HydrophobicContact CG-CD2 4.43Å; S253-L256 WeakPolarHBondContact O-CB 3.08Å; S253-L256 PolarHBondContact O-N 3.31Å; S253-L256 PolarHBondContact OG-N 2.99Å; K254-L256 VanDerWaalsContact C-N 3.3Å; K254-L256 PolarHBondContact O-N 3.06Å; L256-E258 VanDerWaalsContact C-N 3.35Å; L256-K259 PolarHBondContact O-N 3Å; L256-Q260 WeakPolarHBondContact O-CG 3.24Å; L256-Q260 PolarHBondContact O-N 2.46Å
257T76Confident78.7Confident0 Ų057.8 Ų57.80%029%0.287CS..Hα-helixtrans-65.6-37.7174.217.50000112S253 K254 Q260 I261 L288 Y290S253-T257 PolarHBondContact O-N 2.84Å; S253-T257 PolarHBondContact O-OG1 3.11Å; S253-T257 VanDerWaalsContact O-OG1 3.07Å; K254-T257 WeakPolarHBondContact CA-OG1 3.47Å; K254-T257 PolarHBondContact O-N 3.21Å; K254-T257 PolarHBondContact O-OG1 3.27Å; K254-T257 VanDerWaalsContact O-OG1 3.08Å; T257-Q260 WeakPolarHBondContact O-CB 3.45Å; T257-Q260 PolarHBondContact O-N 3.37Å; T257-I261 PolarHBondContact O-N 2.89Å; T257-L288 HydrophobicContact CG2-CD2 4.1Å; T257-Y290 HydrophobicContact CG2-CE2 3.7Å
258E80Confident78.7Confident79 Ų7958.6 Ų58.637%0.36929%0.289SS..Hα-helixtrans-61-44.6172.7-76.8176.5-168.100111.5K254 E255 L256 Q260 I261 E262 F307K254-E258 WeakPolarHBondContact CE-OE1 3.39Å; K254-E258 WeakPolarHBondContact O-CG 3.29Å; K254-E258 PolarHBondContact O-N 3.28Å; E255-E258 PolarHBondContact O-N 3.38Å; L256-E258 VanDerWaalsContact C-N 3.35Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 3.38Å; E258-I261 PolarHBondContact O-N 3.24Å; E258-E262 PolarHBondContact O-N 3.28Å; E258-F307 HydrophobicContact CB-CD1 4.44Å; E258-F307 HydrophobicContact CB-CE1 4.3Å; E258-F307 HydrophobicContact CG-CB 4.46Å; E258-F307 HydrophobicContact CG-CD1 3.66Å; E258-F307 HydrophobicContact CG-CD2 3.99Å; E258-F307 HydrophobicContact CG-CE1 3.66Å; E258-F307 HydrophobicContact CG-CE2 4.02Å; E258-F307 HydrophobicContact CG-CG 3.81Å; E258-F307 HydrophobicContact CG-CZ 3.87Å
259K83.1Confident78.8Confident124 Ų12463.2 Ų63.254%0.53931%0.309SS..Hα-helixtrans-62.4-38.4175.2-169.4177.8-178.3177.80112.5T243 E255 L256 I261 E262T243-K259 HydrophobicContact CG2-CG 4.34Å; E255-K259 WeakPolarHBondContact O-CB 3.14Å; E255-K259 PolarHBondContact O-N 3.35Å; L256-K259 PolarHBondContact O-N 3Å; K259-I261 VanDerWaalsContact C-N 3.3Å; K259-I261 PolarHBondContact O-N 3.48Å; K259-E262 WeakPolarHBondContact O-CB 3.35Å; K259-E262 PolarHBondContact O-N 3.23Å
260Q84Confident78.8Confident0 Ų064 Ų640%031%0.308CS..Hα-helixtrans-60.9-36178.8-76.3168.7-18.700113A240 T243 I244 T247 L256 T257 E258 L288 Y290A240-Q260 WeakPolarHBondContact CA-O 3.47Å; A240-Q260 WeakPolarHBondContact CB-O 3.43Å; T243-Q260 HydrophobicContact CG2-CB 4.32Å; T243-Q260 HydrophobicContact CG2-CG 3.88Å; I244-Q260 HydrophobicContact CG1-CB 4.29Å; I244-Q260 HydrophobicContact CG1-CG 4.01Å; T247-Q260 PolarHBondContact OG1-NE2 3.46Å; L256-Q260 WeakPolarHBondContact O-CG 3.24Å; L256-Q260 PolarHBondContact O-N 2.46Å; T257-Q260 WeakPolarHBondContact O-CB 3.45Å; T257-Q260 PolarHBondContact O-N 3.37Å; E258-Q260 VanDerWaalsContact C-N 3.33Å; E258-Q260 PolarHBondContact O-N 3.38Å; Q260-L288 HydrophobicContact CB-CD2 4.04Å; Q260-L288 VanDerWaalsContact OE1-CD2 3.28Å; Q260-Y290 PolarHBondContact OE1-OH 2.97Å
261I84.8Confident78.6Confident0 Ų058.4 Ų58.40%028%0.284CS..THydrogen-bonded Turntrans-107.712.8179.868.8171.9000113.8T257 E258 K259 G263 L264 T265 L288 F307 I319T257-I261 PolarHBondContact O-N 2.89Å; E258-I261 PolarHBondContact O-N 3.24Å; K259-I261 VanDerWaalsContact C-N 3.3Å; K259-I261 PolarHBondContact O-N 3.48Å; I261-G263 VanDerWaalsContact C-N 3.28Å; I261-G263 PolarHBondContact O-N 3.35Å; I261-L264 PolarHBondContact O-N 2.93Å; I261-T265 WeakPolarHBondContact O-CB 3.41Å; I261-T265 PolarHBondContact O-N 2.83Å; I261-T265 PolarHBondContact O-OG1 3.37Å; I261-L288 HydrophobicContact CD1-CB 4.41Å; I261-L288 HydrophobicContact CG2-CB 3.66Å; I261-L288 HydrophobicContact CG2-CD2 3.83Å; I261-L288 HydrophobicContact CG2-CG 4.36Å; I261-F307 HydrophobicContact CD1-CD1 3.6Å; I261-F307 HydrophobicContact CD1-CE1 3.22Å; I261-F307 HydrophobicContact CD1-CZ 4.23Å; I261-F307 HydrophobicContact CG1-CD1 4.06Å; I261-F307 HydrophobicContact CG1-CE1 3.54Å; I261-I319 HydrophobicContact CG2-CD1 4.49Å
262E86.9Confident78.3Confident106 Ų10656.2 Ų56.250%0.49527%0.272SS..Hα-helixtrans-56.3-42.5-178-175.9177.6-176.800111.7E258 K259 T265 S266E258-E262 PolarHBondContact O-N 3.28Å; K259-E262 WeakPolarHBondContact O-CB 3.35Å; K259-E262 PolarHBondContact O-N 3.23Å; E262-T265 PolarHBondContact O-N 3.25Å; E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.44Å; E262-S266 PolarHBondContact O-N 3.39Å; E262-S266 PolarHBondContact O-OG 3.2Å
263G85Confident77.7Confident12 Ų1263.2 Ų63.212%0.12430%0.302CS..Hα-helixtrans-60.1-49177.200000112.8I261 S266 I267I261-G263 VanDerWaalsContact C-N 3.28Å; I261-G263 PolarHBondContact O-N 3.35Å; G263-S266 PolarHBondContact O-N 2.86Å; G263-I267 PolarHBondContact O-N 2.73Å; G263-I267 VanDerWaalsContact O-N 3.14Å
264L86.8Confident76.9Confident1 Ų167.2 Ų67.21%0.00531%0.309CS..Hα-helixtrans-65-42177.5-67.6175.8000111.9F233 F237 A240 I261 S266 I267 Y268 P286 I319F233-L264 HydrophobicContact CE2-CD2 4.34Å; F237-L264 HydrophobicContact CB-CD2 4.12Å; F237-L264 HydrophobicContact CD2-CD1 4.2Å; F237-L264 HydrophobicContact CD2-CD2 4.03Å; F237-L264 HydrophobicContact CG-CD2 4.42Å; A240-L264 HydrophobicContact CB-CD1 4.12Å; A240-L264 HydrophobicContact CB-CG 4.36Å; I261-L264 PolarHBondContact O-N 2.93Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 2.86Å; L264-I267 PolarHBondContact O-N 3.49Å; L264-Y268 WeakPolarHBondContact O-CB 3.43Å; L264-Y268 PolarHBondContact O-N 3.29Å; L264-P286 HydrophobicContact CB-CB 4.05Å; L264-P286 HydrophobicContact CB-CG 4.25Å; L264-I319 HydrophobicContact CD1-CD1 4.07Å; L264-I319 HydrophobicContact CD1-CG1 4.26Å
265T86.6Confident75.8Confident9 Ų965.5 Ų65.56%0.05531%0.306CS..Hα-helixtrans-64.2-38.9178.2-57.70000111.4I261 E262 Y268 K269 L305I261-T265 WeakPolarHBondContact O-CB 3.41Å; I261-T265 PolarHBondContact O-N 2.83Å; I261-T265 PolarHBondContact O-OG1 3.37Å; E262-T265 PolarHBondContact O-N 3.25Å; T265-Y268 PolarHBondContact O-N 3.47Å; T265-K269 HydrophobicContact CG2-CD 4Å; T265-K269 HydrophobicContact CG2-CG 4.41Å; T265-K269 WeakPolarHBondContact O-CB 3.16Å; T265-K269 VanDerWaalsContact O-CG 3.28Å; T265-K269 WeakPolarHBondContact O-CG 3.17Å; T265-K269 PolarHBondContact O-N 2.95Å; T265-L305 HydrophobicContact CG2-CD1 4.07Å; T265-L305 HydrophobicContact CG2-CD2 3.87Å
266S85.9Confident74.1Confident63 Ų6365.2 Ų65.244%0.44131%0.309SS..Hα-helixtrans-66.3-45.2178.9-63.50000111.5E262 G263 L264 K269 Y270E262-S266 VanDerWaalsContact O-CB 3.25Å; E262-S266 WeakPolarHBondContact O-CB 3.44Å; E262-S266 PolarHBondContact O-N 3.39Å; E262-S266 PolarHBondContact O-OG 3.2Å; G263-S266 PolarHBondContact O-N 2.86Å; L264-S266 VanDerWaalsContact C-N 3.32Å; L264-S266 PolarHBondContact O-N 2.86Å; S266-K269 PolarHBondContact O-N 2.99Å; S266-Y270 WeakPolarHBondContact O-CB 3.35Å; S266-Y270 PolarHBondContact O-N 2.67Å
267I82.3Confident72.6Confident26 Ų2668.5 Ų68.513%0.13333%0.327CS..Hα-helixtrans-58.8-50.1173.5-73.5-164.8000110.9S232 S236 G263 L264 K269 Y270 S271 E323S232-I267 WeakPolarHBondContact O-CD1 3.5Å; S232-I267 WeakPolarHBondContact OG-CD1 3.19Å; S236-I267 VanDerWaalsContact CB-CD1 3.48Å; S236-I267 WeakPolarHBondContact OG-CD1 3.49Å; G263-I267 PolarHBondContact O-N 2.73Å; G263-I267 VanDerWaalsContact O-N 3.14Å; L264-I267 PolarHBondContact O-N 3.49Å; I267-K269 PolarHBondContact O-N 2.83Å; I267-Y270 PolarHBondContact O-N 3.12Å; I267-S271 PolarHBondContact O-N 3.19Å; I267-S271 PolarHBondContact O-OG 3.06Å; I267-E323 HydrophobicContact CG2-CB 4.22Å; I267-E323 HydrophobicContact CG2-CG 3.82Å
268Y84Confident70.8Confident27 Ų2773.8 Ų73.811%0.10635%0.352CS..Hα-helixtrans-58-47.2179.6-177.7-95.4000111.7L264 T265 Y270 S271 N272 I283 P285 P286 S322 Q324L264-Y268 WeakPolarHBondContact O-CB 3.43Å; L264-Y268 PolarHBondContact O-N 3.29Å; T265-Y268 PolarHBondContact O-N 3.47Å; Y268-Y270 PolarHBondContact O-N 3.47Å; Y268-S271 WeakPolarHBondContact CA-OG 3.46Å; Y268-S271 PolarHBondContact O-N 3.34Å; Y268-S271 PolarHBondContact O-OG 3.14Å; Y268-N272 PolarHBondContact O-N 2.87Å; Y268-N272 VanDerWaalsContact O-N 3.1Å; Y268-I283 PolarHBondContact OH-O 3.17Å; Y268-P285 HydrophobicContact CD1-CB 4.4Å; Y268-P285 HydrophobicContact CE1-CB 3.79Å; Y268-P285 HydrophobicContact CE2-CB 4.31Å; Y268-P286 HydrophobicContact CD2-CG 4.32Å; Y268-P286 VanDerWaalsContact CG-CD 3.42Å; Y268-P286 HydrophobicContact CG-CG 4.06Å; Y268-S322 VanDerWaalsContact CD2-OG 3.28Å; Y268-S322 WeakPolarHBondContact CD2-OG 3.49Å; Y268-S322 WeakPolarHBondContact CE2-OG 3.36Å; Y268-Q324 HydrophobicContact CD2-CG 3.69Å; Y268-Q324 HydrophobicContact CE2-CG 3.39Å; Y268-Q324 PolarHBondContact OH-NE2 3.09Å
269K82.8Confident68.9Low117 Ų11777 Ų7751%0.50938%0.376SS..Hα-helixtrans-63.1-39.3177.6-75.5174.9-1801730112.9T265 S266 I267 N272T265-K269 HydrophobicContact CG2-CD 4Å; T265-K269 HydrophobicContact CG2-CG 4.41Å; T265-K269 WeakPolarHBondContact O-CB 3.16Å; T265-K269 VanDerWaalsContact O-CG 3.28Å; T265-K269 WeakPolarHBondContact O-CG 3.17Å; T265-K269 PolarHBondContact O-N 2.95Å; S266-K269 PolarHBondContact O-N 2.99Å; I267-K269 PolarHBondContact O-N 2.83Å; K269-N272 PolarHBondContact O-N 3.03Å
270Y75.3Confident67.3Low146 Ų14676.9 Ų76.957%0.57338%0.376SS*.Hα-helixtrans-68.4-38.7178-171.3-100.4000111.6S266 I267 Y268 N272 K273 R274S266-Y270 WeakPolarHBondContact O-CB 3.35Å; S266-Y270 PolarHBondContact O-N 2.67Å; I267-Y270 PolarHBondContact O-N 3.12Å; Y268-Y270 PolarHBondContact O-N 3.47Å; Y270-N272 VanDerWaalsContact C-N 3.32Å; Y270-N272 PolarHBondContact O-N 2.96Å; Y270-K273 PolarHBondContact O-N 3.38Å; Y270-R274 PolarHBondContact OH-NH2 2.91Å
271S68.8Low65.9Low6 Ų684.2 Ų84.24%0.04241%0.407CS..Hα-helixtrans-61.6-38.5174.664.50000112.5I267 Y268 K273 R274 E323 Q324I267-S271 PolarHBondContact O-N 3.19Å; I267-S271 PolarHBondContact O-OG 3.06Å; Y268-S271 WeakPolarHBondContact CA-OG 3.46Å; Y268-S271 PolarHBondContact O-N 3.34Å; Y268-S271 PolarHBondContact O-OG 3.14Å; S271-K273 VanDerWaalsContact C-N 3.29Å; S271-K273 PolarHBondContact O-N 3.16Å; S271-R274 PolarHBondContact O-N 3.35Å; S271-E323 VanDerWaalsContact CB-OE1 3.26Å; S271-E323 WeakPolarHBondContact CB-OE1 3.39Å; S271-Q324 WeakPolarHBondContact OG-CB 3.25Å; S271-Q324 PolarHBondContact OG-N 3.39Å; S271-Q324 VanDerWaalsContact OG-N 3.1Å
272N61.2Low64.6Low86 Ų8695.1 Ų95.146%0.4645%0.449SS..Hα-helixtrans-67.4-24.1-179.5-152.719.2000114Y268 K269 Y270 R274 Q324Y268-N272 PolarHBondContact O-N 2.87Å; Y268-N272 VanDerWaalsContact O-N 3.1Å; K269-N272 PolarHBondContact O-N 3.03Å; Y270-N272 VanDerWaalsContact C-N 3.32Å; Y270-N272 PolarHBondContact O-N 2.96Å; N272-R274 VanDerWaalsContact C-N 3.32Å; N272-R274 PolarHBondContact O-N 2.97Å; N272-Q324 PolarHBondContact OD1-OE1 3.48Å
273K52.9Low63.9Low172 Ų17291 Ų9175%0.74843%0.43SS*.THydrogen-bonded Turntrans-76.4-16-178.9-73.5-175.7179-178.90113.7Y270 S271Y270-K273 PolarHBondContact O-N 3.38Å; S271-K273 VanDerWaalsContact C-N 3.29Å; S271-K273 PolarHBondContact O-N 3.16Å
274R50.9Low63.7Low137 Ų13791.7 Ų91.752%0.51743%0.433SS..THydrogen-bonded Turntrans-84.2-28.3-174.5-75.9-174173.6-179.9-2.1114Y270 S271 N272Y270-R274 PolarHBondContact OH-NH2 2.91Å; S271-R274 PolarHBondContact O-N 3.35Å; N272-R274 VanDerWaalsContact C-N 3.32Å; N272-R274 PolarHBondContact O-N 2.97Å
275D45.5Very low63.6Low81 Ų8192.3 Ų92.343%0.43344%0.436SS..  trans-125.688.9-175.7-74.9-3.3000110.1D277 K280D275-D277 VanDerWaalsContact C-N 3.27Å; D275-K280 IonicContact OD2-NZ 2.7Å; D275-K280 PolarHBondContact OD2-NZ 3.17Å
276N39.2Very low63.7Low148 Ų14891.9 Ų91.979%0.79143%0.434SS*.  trans-83.31.8171.6-93.3-13.6000113.5
277D41.6Very low63.8Low99 Ų9988.9 Ų88.953%0.52941%0.413SS..SBendtrans-116.9119.2-171.9-77.6-27.9000113.4D275D275-D277 VanDerWaalsContact C-N 3.27Å
278H38.5Very low64.1Low111 Ų11187.6 Ų87.651%0.51441%0.406SS..SBendtrans67.1118.1164.7-63.5-72.3000120R166 K280R166-H278 VanDerWaalsContact CZ-CD2 3.48Å; R166-H278 PolarHBondContact NH1-CD2 2.97Å; R166-H278 PolarHBondContact NH1-NE2 2.95Å; H278-K280 PolarHBondContact O-N 3Å
279V41.6Very low64.3Low147 Ų14786.4 Ų86.489%0.89140%0.402SS*.  trans28.636.8139.4-152.20000118.2
280K48.9Very low64.5Low121 Ų12180.9 Ų80.953%0.52638%0.378SS..  trans-72.5126.5154.6-71.7-178.3-178.11720105.9D275 H278 R282D275-K280 IonicContact OD2-NZ 2.7Å; D275-K280 PolarHBondContact OD2-NZ 3.17Å; H278-K280 PolarHBondContact O-N 3Å; K280-R282 PolarHBondContact O-N 2.9Å; K280-R282 VanDerWaalsContact O-N 3.08Å
281K53.4Low64.9Low153 Ų15374 Ų7467%0.66535%0.351SS*.  trans-44122.2175.1-76.1177.2177.1177.30107.8I283K281-I283 PolarHBondContact O-N 2.86Å
282R58.8Low65.6Low230 Ų23077.5 Ų77.587%0.86837%0.368SS*.  trans-60.4106.4178.9-85-173.6177.3179.60.3108.2K280 C284K280-R282 PolarHBondContact O-N 2.9Å; K280-R282 VanDerWaalsContact O-N 3.08Å; R282-C284 PolarHBondContact O-N 2.89Å
283I71.8Confident66.6Low19 Ų1974.6 Ų74.610%0.09735%0.352CS..PPolyproline II helixtrans-64.4134.3172.6-58.5178.5000107.6Y268 K281 V408Y268-I283 PolarHBondContact OH-O 3.17Å; K281-I283 PolarHBondContact O-N 2.86Å; I283-V408 HydrophobicContact CD1-CG1 3.63Å; I283-V408 HydrophobicContact CG1-CG1 4.49Å
284C80.5Confident68.3Low27 Ų2766.4 Ų66.418%0.18232%0.317CS..PPolyproline II helixtrans-48.3124178.6176.80000110.9R282 Y287 P302 H320 S322R282-C284 PolarHBondContact O-N 2.89Å; C284-Y287 VanDerWaalsContact SG-CE1 3.54Å; C284-P302 HydrophobicContact CB-CG 4.24Å; C284-P302 VanDerWaalsContact SG-CB 3.53Å; C284-P302 WeakPolarHBondContact SG-CG 3.41Å; C284-H320 PolarHBondContact O-NE2 2.72Å; C284-H320 VanDerWaalsContact O-NE2 3.07Å; C284-S322 VanDerWaalsContact O-CB 3.31Å; C284-S322 WeakPolarHBondContact O-CB 3.44Å; C284-S322 PolarHBondContact O-OG 3.34Å
285P85Confident70Confident13 Ų1361.7 Ų61.78%0.08430%0.304CS..PPolyproline II helixtrans-61.5158.617628.7-35.7000111.5Y268 Y287 P302 L305 H320Y268-P285 HydrophobicContact CD1-CB 4.4Å; Y268-P285 HydrophobicContact CE1-CB 3.79Å; Y268-P285 HydrophobicContact CE2-CB 4.31Å; P285-Y287 WeakPolarHBondContact O-CD1 3.49Å; P285-P302 WeakPolarHBondContact CD-O 3.45Å; P285-P302 WeakPolarHBondContact CG-O 3.2Å; P285-L305 HydrophobicContact CB-CD2 4.44Å; P285-H320 PolarHBondContact O-CD2 3.2Å; P285-H320 VanDerWaalsContact O-CD2 3.23Å
286P88.5Confident71.9Confident0 Ų059.5 Ų59.50%029%0.29CS..PPolyproline II helixtrans-57.5142.7173.5-23.633.1000111.8L264 Y268 L305 H320L264-P286 HydrophobicContact CB-CB 4.05Å; L264-P286 HydrophobicContact CB-CG 4.25Å; Y268-P286 HydrophobicContact CD2-CG 4.32Å; Y268-P286 VanDerWaalsContact CG-CD 3.42Å; Y268-P286 HydrophobicContact CG-CG 4.06Å; P286-L305 WeakPolarHBondContact O-CD2 3.27Å; P286-H320 WeakPolarHBondContact CA-O 3.29Å; P286-H320 WeakPolarHBondContact CB-O 3.44Å
287Y88.6Confident74Confident0 Ų058.5 Ų58.50%029%0.285CS..EExtended strand (participates in β ladder)trans-150.6158.8176.164.1-99.2000111.2C284 P285 L289 L299 P302 I318 H320 E331 R424C284-Y287 VanDerWaalsContact SG-CE1 3.54Å; P285-Y287 WeakPolarHBondContact O-CD1 3.49Å; Y287-L289 HydrophobicContact CD2-CD1 3.8Å; Y287-L289 HydrophobicContact CD2-CG 3.81Å; Y287-L289 HydrophobicContact CE2-CD1 3.95Å; Y287-L289 HydrophobicContact CE2-CG 4.34Å; Y287-L299 HydrophobicContact CE2-CD2 3.99Å; Y287-P302 HydrophobicContact CD1-CB 4.2Å; Y287-P302 HydrophobicContact CE1-CB 4.33Å; Y287-I318 HydrophobicContact CE2-CG2 3.87Å; Y287-H320 HydrophobicContact CD1-CB 3.67Å; Y287-H320 AromaticContact CD1-CD2 3.66Å; Y287-H320 AromaticContact CD1-CG 3.93Å; Y287-H320 HydrophobicContact CD2-CB 4.13Å; Y287-H320 HydrophobicContact CE1-CB 3.28Å; Y287-H320 AromaticContact CE1-CD2 3.49Å; Y287-H320 VanDerWaalsContact CE1-CD2 3.49Å; Y287-H320 WeakPolarHBondContact CE1-CD2 3.31Å; Y287-H320 AromaticContact CE1-CG 3.44Å; Y287-H320 VanDerWaalsContact CE1-CG 3.44Å; Y287-H320 HydrophobicContact CE2-CB 3.84Å; Y287-H320 HydrophobicContact CG-CB 4.07Å; Y287-H320 AromaticContact CZ-CG 3.96Å; Y287-H320 PolarHBondContact N-O 3.26Å; Y287-H320 VanDerWaalsContact N-O 3.09Å; Y287-H320 PolarHBondContact O-N 3.39Å; Y287-E331 PolarHBondContact OH-OE2 2.79Å; Y287-R424 PolarHBondContact OH-NH2 3.48Å
288L88.7Confident75.8Confident0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-137.6113.9175.317660.3000108.7T257 Q260 I261 Y290 M317 I318 I319T257-L288 HydrophobicContact CG2-CD2 4.1Å; Q260-L288 HydrophobicContact CB-CD2 4.04Å; Q260-L288 VanDerWaalsContact OE1-CD2 3.28Å; I261-L288 HydrophobicContact CD1-CB 4.41Å; I261-L288 HydrophobicContact CG2-CB 3.66Å; I261-L288 HydrophobicContact CG2-CD2 3.83Å; I261-L288 HydrophobicContact CG2-CG 4.36Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CD2-CE2 4.12Å; L288-Y290 HydrophobicContact CG-CE2 3.79Å; L288-M317 HydrophobicContact CD1-CB 4.39Å; L288-M317 HydrophobicContact CD1-CG 4.41Å; L288-M317 HydrophobicContact CD1-SD 3.92Å; L288-I318 WeakPolarHBondContact CA-O 3.26Å; L288-I319 HydrophobicContact CD1-CB 4.03Å; L288-I319 HydrophobicContact CD1-CG1 4.42Å
289L87.7Confident78Confident1 Ų149.8 Ų49.81%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-124.3145.7-175.4-64174.4000110.2Y287 T294 C298 L299 Q306 E308 M317 I318Y287-L289 HydrophobicContact CD2-CD1 3.8Å; Y287-L289 HydrophobicContact CD2-CG 3.81Å; Y287-L289 HydrophobicContact CE2-CD1 3.95Å; Y287-L289 HydrophobicContact CE2-CG 4.34Å; L289-T294 HydrophobicContact CB-CG2 3.76Å; L289-C298 HydrophobicContact CD1-CB 4.38Å; L289-L299 HydrophobicContact CD1-CD2 4.1Å; L289-Q306 HydrophobicContact CD2-CB 4.21Å; L289-E308 HydrophobicContact CD2-CB 4.29Å; L289-E308 HydrophobicContact CD2-CG 4.22Å; L289-M317 CarbonylContact O-C 3.48Å; L289-M317 WeakPolarHBondContact O-CA 3.31Å; L289-M317 WeakPolarHBondContact O-CB 3.42Å; L289-I318 PolarHBondContact N-O 2.99Å; L289-I318 PolarHBondContact O-N 3.13Å
290Y86.4Confident79.8Confident1 Ų147.1 Ų47.10%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-119.8138.7-175.9-70.3-84.6000111.9Q252 T257 Q260 L288 M292 N293 H310 D314 M317 L336Q252-Y290 PolarHBondContact NE2-OH 2.69Å; T257-Y290 HydrophobicContact CG2-CE2 3.7Å; Q260-Y290 PolarHBondContact OE1-OH 2.97Å; L288-Y290 HydrophobicContact CD1-CE2 4.26Å; L288-Y290 HydrophobicContact CD2-CE2 4.12Å; L288-Y290 HydrophobicContact CG-CE2 3.79Å; Y290-M292 PolarHBondContact O-N 3.37Å; Y290-N293 WeakPolarHBondContact O-CA 3.34Å; Y290-N293 WeakPolarHBondContact O-CB 3.2Å; Y290-N293 PolarHBondContact O-N 2.77Å; Y290-H310 HydrophobicContact CD1-CB 4.08Å; Y290-H310 AromaticContact CD1-CD2 3.14Å; Y290-H310 WeakPolarHBondContact CD1-CD2 3.45Å; Y290-H310 AromaticContact CD1-CG 3.73Å; Y290-H310 AromaticContact CD1-NE2 3.9Å; Y290-H310 HydrophobicContact CD2-CB 3.86Å; Y290-H310 HydrophobicContact CE1-CB 4.48Å; Y290-H310 AromaticContact CE1-CD2 3.29Å; Y290-H310 WeakPolarHBondContact CE1-CD2 3.3Å; Y290-H310 HydrophobicContact CE2-CB 4.26Å; Y290-H310 HydrophobicContact CG-CB 3.76Å; Y290-H310 AromaticContact CG-CD2 3.77Å; Y290-H310 AromaticContact CG-CG 3.89Å; Y290-H310 AromaticContact CZ-CD2 3.98Å; Y290-D314 WeakPolarHBondContact CB-OD2 3.44Å; Y290-M317 HydrophobicContact CD1-CB 3.44Å; Y290-M317 VanDerWaalsContact CD1-CB 3.44Å; Y290-M317 HydrophobicContact CD1-CG 4.48Å; Y290-M317 HydrophobicContact CD1-SD 4.43Å; Y290-M317 HydrophobicContact CE1-CB 3.46Å; Y290-M317 VanDerWaalsContact CE1-CB 3.46Å; Y290-M317 HydrophobicContact CE1-CG 4.07Å; Y290-M317 HydrophobicContact CE1-SD 3.49Å; Y290-M317 WeakPolarHBondContact CE1-SD 3.31Å; Y290-M317 HydrophobicContact CG-CB 4.21Å; Y290-L336 HydrophobicContact CD1-CD1 3.95Å; Y290-L336 HydrophobicContact CE1-CD1 3.67Å
291G85Confident80.5Confident2 Ų248 Ų482%0.02122%0.224CC..G310 helixtrans49.3-123.5166.300000114.4N293 T294 H316 V436G291-N293 PolarHBondContact O-N 2.96Å; G291-N293 VanDerWaalsContact O-N 3.15Å; G291-T294 PolarHBondContact O-N 3.36Å; G291-T294 PolarHBondContact O-OG1 3.32Å; G291-H316 PolarHBondContact N-O 3.2Å; G291-H316 PolarHBondContact O-NE2 3.22Å; G291-V436 CarbonylContact C-O 3.6Å; G291-V436 VanDerWaalsContact C-O 3.29Å
292M82.6Confident80.9Confident79 Ų7941.4 Ų41.439%0.38920%0.197SC..G310 helixtrans-63.9-17.7-179-67.4-179.2172.600113.7Y290 T294 T295 V436Y290-M292 PolarHBondContact O-N 3.37Å; M292-T294 PolarHBondContact O-N 3.31Å; M292-T295 WeakPolarHBondContact O-CG2 3.33Å; M292-V436 PolarHBondContact N-O 2.97Å
293N83.6Confident80.7Confident25 Ų2536.8 Ų36.813%0.13419%0.189CC..G310 helixtrans-75.4-5.7176.3-59.5-17.7000112Y290 G291 T295 C298 E308Y290-N293 WeakPolarHBondContact O-CA 3.34Å; Y290-N293 WeakPolarHBondContact O-CB 3.2Å; Y290-N293 PolarHBondContact O-N 2.77Å; G291-N293 PolarHBondContact O-N 2.96Å; G291-N293 VanDerWaalsContact O-N 3.15Å; N293-T295 PolarHBondContact O-N 2.87Å; N293-C298 WeakPolarHBondContact O-CB 3.28Å; N293-C298 PolarHBondContact O-SG 3.46Å; N293-E308 HydrophobicContact CB-CB 4.14Å; N293-E308 WeakPolarHBondContact CB-OE2 3.34Å; N293-E308 WeakPolarHBondContact ND2-CB 3.46Å; N293-E308 PolarHBondContact ND2-OE2 2.97Å; N293-E308 PolarHBondContact OD1-OE2 3.13Å
294T87.5Confident79.9Confident0 Ų040.2 Ų40.20%021%0.211CC..G310 helixtrans-87.126.917372.40000112.8L289 G291 M292 L299 H316 I318 G437 S438L289-T294 HydrophobicContact CB-CG2 3.76Å; G291-T294 PolarHBondContact O-N 3.36Å; G291-T294 PolarHBondContact O-OG1 3.32Å; M292-T294 PolarHBondContact O-N 3.31Å; T294-L299 WeakPolarHBondContact O-CD1 3.33Å; T294-H316 PolarHBondContact OG1-NE2 3.21Å; T294-I318 HydrophobicContact CG2-CB 4.23Å; T294-I318 HydrophobicContact CG2-CD1 3.81Å; T294-I318 HydrophobicContact CG2-CG1 3.85Å; T294-G437 WeakPolarHBondContact OG1-CA 3.39Å; T294-S438 WeakPolarHBondContact O-CB 3.23Å; T294-S438 PolarHBondContact O-N 3.36Å; T294-S438 VanDerWaalsContact O-N 3.12Å; T294-S438 PolarHBondContact O-OG 3.12Å; T294-S438 PolarHBondContact OG1-N 2.75Å; T294-S438 PolarHBondContact OG1-O 3.02Å
295T86.1Confident78.6Confident39 Ų3941.6 Ų41.624%0.23922%0.216CC..  trans-62.2158.2179.359.90000113M292 N293 N297 C298 L299 D427M292-T295 WeakPolarHBondContact O-CG2 3.33Å; N293-T295 PolarHBondContact O-N 2.87Å; T295-N297 PolarHBondContact O-N 3.41Å; T295-N297 VanDerWaalsContact O-N 3.16Å; T295-C298 WeakPolarHBondContact O-CB 3.16Å; T295-C298 PolarHBondContact O-N 2.97Å; T295-C298 PolarHBondContact OG1-SG 2.93Å; T295-L299 PolarHBondContact O-N 2.94Å; T295-L299 VanDerWaalsContact O-N 3.08Å; T295-D427 WeakPolarHBondContact CA-OD1 3.34Å; T295-D427 WeakPolarHBondContact CB-OD1 3.36Å
296K86.6Confident77.3Confident34 Ų3442.7 Ų42.715%0.14822%0.221CC..Hα-helixtrans-48.9-41.5175.9-174.3173.6-175176.30113.7C298 L299 K300 D399 E400 Y426 D427K296-C298 VanDerWaalsContact C-N 3.33Å; K296-C298 PolarHBondContact O-N 3.48Å; K296-L299 PolarHBondContact O-N 3.16Å; K296-K300 VanDerWaalsContact CE-NZ 3.27Å; K296-K300 HydrophobicContact CG-CD 4.24Å; K296-K300 HydrophobicContact CG-CG 4.38Å; K296-K300 PolarHBondContact O-N 3.06Å; K296-D399 WeakPolarHBondContact CD-OD2 3.19Å; K296-D399 WeakPolarHBondContact CE-OD2 3.42Å; K296-D399 IonicContact NZ-OD2 3.28Å; K296-D399 PolarHBondContact NZ-OD2 2.93Å; K296-E400 WeakPolarHBondContact CE-OE2 3.3Å; K296-E400 IonicContact NZ-OE2 3.46Å; K296-E400 PolarHBondContact NZ-OE2 3.49Å; K296-Y426 HydrophobicContact CB-CD1 3.8Å; K296-Y426 HydrophobicContact CB-CG 4.08Å; K296-Y426 HydrophobicContact CD-CD1 4.49Å; K296-Y426 HydrophobicContact CD-CD2 4.42Å; K296-Y426 HydrophobicContact CD-CG 4.08Å; K296-Y426 HydrophobicContact CG-CD1 3.7Å; K296-Y426 HydrophobicContact CG-CD2 4.34Å; K296-Y426 HydrophobicContact CG-CE1 4.17Å; K296-Y426 HydrophobicContact CG-CG 3.78Å; K296-D427 VanDerWaalsContact CB-OD2 3.26Å; K296-D427 WeakPolarHBondContact CB-OD2 3.47Å; K296-D427 PolarHBondContact N-OD1 2.93Å
297N82.7Confident75.7Confident127 Ų12744.4 Ų44.468%0.67923%0.228SC*.Hα-helixtrans-64.8-37.9179.6-70.4-20.5000112.3T295T295-N297 PolarHBondContact O-N 3.41Å; T295-N297 VanDerWaalsContact O-N 3.16Å
298C80.5Confident74.2Confident25 Ų2547.8 Ų47.817%0.16924%0.244CC..Hα-helixtrans-69.1-40.6177.3-58.70000110.8L289 N293 T295 K296L289-C298 HydrophobicContact CD1-CB 4.38Å; N293-C298 WeakPolarHBondContact O-CB 3.28Å; N293-C298 PolarHBondContact O-SG 3.46Å; T295-C298 WeakPolarHBondContact O-CB 3.16Å; T295-C298 PolarHBondContact O-N 2.97Å; T295-C298 PolarHBondContact OG1-SG 2.93Å; K296-C298 VanDerWaalsContact C-N 3.33Å; K296-C298 PolarHBondContact O-N 3.48Å
299L83.9Confident72.6Confident2 Ų251.1 Ų51.11%0.0126%0.264CS..Hα-helixtrans-79.3-26.7-176.1-68.6178.5000115.3Y287 L289 T294 T295 K296 P302 I318 R424 Y426 S438Y287-L299 HydrophobicContact CE2-CD2 3.99Å; L289-L299 HydrophobicContact CD1-CD2 4.1Å; T294-L299 WeakPolarHBondContact O-CD1 3.33Å; T295-L299 PolarHBondContact O-N 2.94Å; T295-L299 VanDerWaalsContact O-N 3.08Å; K296-L299 PolarHBondContact O-N 3.16Å; L299-P302 WeakPolarHBondContact O-CD 2.96Å; L299-I318 HydrophobicContact CD1-CD1 4.09Å; L299-I318 HydrophobicContact CD2-CD1 4.29Å; L299-R424 PolarHBondContact O-NH1 3.31Å; L299-Y426 HydrophobicContact CB-CE1 3.94Å; L299-Y426 HydrophobicContact CD1-CD1 4.29Å; L299-Y426 HydrophobicContact CD1-CE1 4.12Å; L299-S438 VanDerWaalsContact CD1-CB 3.49Å
300K78.4Confident70.9Confident92 Ų9251.8 Ų51.840%0.427%0.267SS..Hα-helixtrans-79.2-22.9177.1-74.7-164.8177.5-169.40113.5K296 P302 E400K296-K300 VanDerWaalsContact CE-NZ 3.27Å; K296-K300 HydrophobicContact CG-CD 4.24Å; K296-K300 HydrophobicContact CG-CG 4.38Å; K296-K300 PolarHBondContact O-N 3.06Å; K300-P302 VanDerWaalsContact C-CD 3.4Å; K300-E400 IonicContact NZ-OE2 3.48Å; K300-E400 PolarHBondContact NZ-OE2 3.22Å
301F65Low69.4Low139 Ų13959 Ų5961%0.6130%0.295SS*.  trans-127.657.4-179.7-58.7-77000114.6N303F301-N303 PolarHBondContact O-N 2.76Å
302P60.7Low68.1Low14 Ų1463.9 Ų63.99%0.09132%0.32CS..  trans-77.557.7173.834.6-35.9000110.3C284 P285 Y287 L299 K300 T304C284-P302 HydrophobicContact CB-CG 4.24Å; C284-P302 VanDerWaalsContact SG-CB 3.53Å; C284-P302 WeakPolarHBondContact SG-CG 3.41Å; P285-P302 WeakPolarHBondContact CD-O 3.45Å; P285-P302 WeakPolarHBondContact CG-O 3.2Å; Y287-P302 HydrophobicContact CD1-CB 4.2Å; Y287-P302 HydrophobicContact CE1-CB 4.33Å; L299-P302 WeakPolarHBondContact O-CD 2.96Å; K300-P302 VanDerWaalsContact C-CD 3.4Å; P302-T304 PolarHBondContact O-N 3.41Å
303N54.4Low67.4Low133 Ų13365.4 Ų65.471%0.71133%0.33SS*.  trans-78.9-6.6-176.7-75.8-11.2000113.2F301F301-N303 PolarHBondContact O-N 2.76Å
304T55.4Low67Low91 Ų9164.9 Ų64.956%0.55833%0.327SS*.SBendtrans-135.2156.5-179.8470000109.3P302 Q306P302-T304 PolarHBondContact O-N 3.41Å; T304-Q306 PolarHBondContact O-N 3.35Å
305L54.3Low66.7Low56 Ų5665.7 Ų65.729%0.29333%0.331SS..  trans-56.8104.1166.5-70.5159.6000107.5T265 P285 P286 F307T265-L305 HydrophobicContact CG2-CD1 4.07Å; T265-L305 HydrophobicContact CG2-CD2 3.87Å; P285-L305 HydrophobicContact CB-CD2 4.44Å; P286-L305 WeakPolarHBondContact O-CD2 3.27Å; L305-F307 HydrophobicContact CB-CD2 4.31Å; L305-F307 HydrophobicContact CB-CE2 3.43Å; L305-F307 VanDerWaalsContact CB-CE2 3.43Å; L305-F307 HydrophobicContact CB-CZ 3.68Å; L305-F307 HydrophobicContact CD1-CE2 4.5Å; L305-F307 HydrophobicContact CD1-CZ 4.32Å; L305-F307 HydrophobicContact CD2-CZ 4.16Å; L305-F307 HydrophobicContact CG-CE2 4.42Å; L305-F307 HydrophobicContact CG-CZ 4.28Å
306Q57.2Low66.9Low37 Ų3763.9 Ų63.917%0.17332%0.32CS..  trans-96118.9178.3-75.5178-2.900108.4L289 T304L289-Q306 HydrophobicContact CD2-CB 4.21Å; T304-Q306 PolarHBondContact O-N 3.35Å
307F55.5Low67.1Low36 Ų3662.3 Ų62.316%0.15831%0.313CS..BIsolated β-bridgetrans-122.5101.9173.3-45-91.8000106.3K254 E258 I261 L305K254-F307 HydrophobicContact CG-CB 4.32Å; E258-F307 HydrophobicContact CB-CD1 4.44Å; E258-F307 HydrophobicContact CB-CE1 4.3Å; E258-F307 HydrophobicContact CG-CB 4.46Å; E258-F307 HydrophobicContact CG-CD1 3.66Å; E258-F307 HydrophobicContact CG-CD2 3.99Å; E258-F307 HydrophobicContact CG-CE1 3.66Å; E258-F307 HydrophobicContact CG-CE2 4.02Å; E258-F307 HydrophobicContact CG-CG 3.81Å; E258-F307 HydrophobicContact CG-CZ 3.87Å; I261-F307 HydrophobicContact CD1-CD1 3.6Å; I261-F307 HydrophobicContact CD1-CE1 3.22Å; I261-F307 HydrophobicContact CD1-CZ 4.23Å; I261-F307 HydrophobicContact CG1-CD1 4.06Å; I261-F307 HydrophobicContact CG1-CE1 3.54Å; L305-F307 HydrophobicContact CB-CD2 4.31Å; L305-F307 HydrophobicContact CB-CE2 3.43Å; L305-F307 VanDerWaalsContact CB-CE2 3.43Å; L305-F307 HydrophobicContact CB-CZ 3.68Å; L305-F307 HydrophobicContact CD1-CE2 4.5Å; L305-F307 HydrophobicContact CD1-CZ 4.32Å; L305-F307 HydrophobicContact CD2-CZ 4.16Å; L305-F307 HydrophobicContact CG-CE2 4.42Å; L305-F307 HydrophobicContact CG-CZ 4.28Å
308E56.8Low67.6Low71 Ų7156.2 Ų56.233%0.33228%0.281SS..  trans-107.9135.1174.8-63.6-162.9170.600109.9L289 N293L289-E308 HydrophobicContact CD2-CB 4.29Å; L289-E308 HydrophobicContact CD2-CG 4.22Å; N293-E308 HydrophobicContact CB-CB 4.14Å; N293-E308 WeakPolarHBondContact CB-OE2 3.34Å; N293-E308 WeakPolarHBondContact ND2-CB 3.46Å; N293-E308 PolarHBondContact ND2-OE2 2.97Å; N293-E308 PolarHBondContact OD1-OE2 3.13Å
309T54Low68.1Low69 Ų6955 Ų5542%0.42327%0.273SS..PPolyproline II helixtrans-71.7132.5-176.950.10000111.1K254K254-T309 HydrophobicContact CB-CG2 4.24Å
310H52.2Low68.5Low15 Ų1555 Ų557%0.06927%0.272CS..PPolyproline II helixtrans-62.5132.5173.9-174.5-37000112.1Q252 Y290 D314 K338Q252-H310 HydrophobicContact CB-CB 4.01Å; Q252-H310 HydrophobicContact CG-CB 3.82Å; Q252-H310 PolarHBondContact NE2-CD2 3.35Å; Y290-H310 HydrophobicContact CD1-CB 4.08Å; Y290-H310 AromaticContact CD1-CD2 3.14Å; Y290-H310 WeakPolarHBondContact CD1-CD2 3.45Å; Y290-H310 AromaticContact CD1-CG 3.73Å; Y290-H310 AromaticContact CD1-NE2 3.9Å; Y290-H310 HydrophobicContact CD2-CB 3.86Å; Y290-H310 HydrophobicContact CE1-CB 4.48Å; Y290-H310 AromaticContact CE1-CD2 3.29Å; Y290-H310 WeakPolarHBondContact CE1-CD2 3.3Å; Y290-H310 HydrophobicContact CE2-CB 4.26Å; Y290-H310 HydrophobicContact CG-CB 3.76Å; Y290-H310 AromaticContact CG-CD2 3.77Å; Y290-H310 AromaticContact CG-CG 3.89Å; Y290-H310 AromaticContact CZ-CD2 3.98Å; H310-D314 VanDerWaalsContact CA-OD2 3.3Å; H310-D314 WeakPolarHBondContact CA-OD2 3.5Å; H310-D314 PolarHBondContact CE1-O 3.16Å; H310-D314 IonicContact CG-OD2 2.75Å; H310-D314 IonicContact ND1-OD2 3.81Å; H310-D314 PolarHBondContact ND1-OD2 2.82Å; H310-K338 PolarHBondContact CE1-NZ 3.08Å
311R55.5Low69.2Low154 Ų15450.6 Ų50.658%0.58125%0.253SS*.PPolyproline II helixtrans-86.4147.4167.2-64.3-177.7179-1782.2110D313 D314R311-D313 PolarHBondContact O-N 3.47Å; R311-D314 PolarHBondContact N-OD2 3.07Å; R311-D314 PolarHBondContact O-N 3.31Å
312N58.2Low70.3Confident104 Ų10444 Ų4456%0.55622%0.224SC*.THydrogen-bonded Turntrans-54.3-21.5-175.8-82.3-16.7000115.7K338N312-K338 PolarHBondContact OD1-NZ 2.89Å
313D66.4Low71.5Confident111 Ų11143.9 Ų43.959%0.59422%0.222SC*.THydrogen-bonded Turntrans-92.50.9-180-56.6-42.8000115.3R311 M315 Q346R311-D313 PolarHBondContact O-N 3.47Å; D313-M315 WeakPolarHBondContact O-CG 3.15Å; D313-M315 PolarHBondContact O-N 2.97Å; D313-Q346 PolarHBondContact OD1-NE2 3.14Å
314D76.4Confident72.7Confident13 Ų1339.1 Ų39.17%0.0720%0.196CC..  trans-70.9123.5179.9-57-40.3000111.1Y290 H310 R311Y290-D314 WeakPolarHBondContact CB-OD2 3.44Å; H310-D314 VanDerWaalsContact CA-OD2 3.3Å; H310-D314 WeakPolarHBondContact CA-OD2 3.5Å; H310-D314 PolarHBondContact CE1-O 3.16Å; H310-D314 IonicContact CG-OD2 2.75Å; H310-D314 IonicContact ND1-OD2 3.81Å; H310-D314 PolarHBondContact ND1-OD2 2.82Å; R311-D314 PolarHBondContact N-OD2 3.07Å; R311-D314 PolarHBondContact O-N 3.31Å
315M81.5Confident73.7Confident18 Ų1836.7 Ų36.79%0.08918%0.181CC..  trans-99.4-15.5-173.9-59.8-59-82.500113D313 F335 L336 Q346 L350 L353D313-M315 WeakPolarHBondContact O-CG 3.15Å; D313-M315 PolarHBondContact O-N 2.97Å; M315-F335 WeakPolarHBondContact O-CA 3.47Å; M315-L336 PolarHBondContact O-N 2.63Å; M315-Q346 HydrophobicContact CE-CB 4.16Å; M315-L350 HydrophobicContact CB-CD1 4.01Å; M315-L350 HydrophobicContact CE-CB 3.61Å; M315-L350 HydrophobicContact CE-CD1 4.2Å; M315-L350 HydrophobicContact CE-CD2 3.87Å; M315-L350 HydrophobicContact CE-CG 4.08Å; M315-L353 HydrophobicContact CB-CD1 4.39Å
316H90.3Very high74.9Confident1 Ų134.7 Ų34.71%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-140.9159.5-179.868.6-82.3000111.6G291 T294 T333 Y334 F335 V436G291-H316 PolarHBondContact N-O 3.2Å; G291-H316 PolarHBondContact O-NE2 3.22Å; T294-H316 PolarHBondContact OG1-NE2 3.21Å; H316-T333 HydrophobicContact CB-CG2 4.34Å; H316-Y334 CarbonylContact C-O 3.58Å; H316-Y334 WeakPolarHBondContact CA-O 3.34Å; H316-Y334 WeakPolarHBondContact CB-O 3.47Å; H316-F335 HydrophobicContact CB-CD1 3.91Å; H316-F335 HydrophobicContact CB-CE1 4.02Å; H316-V436 PolarHBondContact CE1-O 3.34Å
317M90.5Very high76.2Confident0 Ų033 Ų330%016%0.164CC..EExtended strand (participates in β ladder)trans-139.3150.6172.769.1-179.3169.200110.8I244 L288 L289 Y290 T333 Y334 L336 W474I244-M317 HydrophobicContact CD1-CE 3.91Å; I244-M317 HydrophobicContact CD1-SD 4.27Å; I244-M317 HydrophobicContact CG2-CE 4.06Å; L288-M317 HydrophobicContact CD1-CB 4.39Å; L288-M317 HydrophobicContact CD1-CG 4.41Å; L288-M317 HydrophobicContact CD1-SD 3.92Å; L289-M317 CarbonylContact O-C 3.48Å; L289-M317 WeakPolarHBondContact O-CA 3.31Å; L289-M317 WeakPolarHBondContact O-CB 3.42Å; Y290-M317 HydrophobicContact CD1-CB 3.44Å; Y290-M317 VanDerWaalsContact CD1-CB 3.44Å; Y290-M317 HydrophobicContact CD1-CG 4.48Å; Y290-M317 HydrophobicContact CD1-SD 4.43Å; Y290-M317 HydrophobicContact CE1-CB 3.46Å; Y290-M317 VanDerWaalsContact CE1-CB 3.46Å; Y290-M317 HydrophobicContact CE1-CG 4.07Å; Y290-M317 HydrophobicContact CE1-SD 3.49Å; Y290-M317 WeakPolarHBondContact CE1-SD 3.31Å; Y290-M317 HydrophobicContact CG-CB 4.21Å; M317-T333 CarbonylContact O-C 3.56Å; M317-T333 WeakPolarHBondContact O-CA 3.17Å; M317-Y334 HydrophobicContact CE-CD2 3.93Å; M317-Y334 HydrophobicContact CE-CG 4.34Å; M317-Y334 PolarHBondContact N-O 3.34Å; M317-Y334 PolarHBondContact O-N 3.23Å; M317-L336 HydrophobicContact CB-CD1 4.14Å; M317-L336 HydrophobicContact CG-CD1 4.07Å; M317-L336 HydrophobicContact SD-CD1 3.95Å; M317-W474 HydrophobicContact CE-CE3 3.83Å; M317-W474 HydrophobicContact CE-CH2 3.43Å; M317-W474 VanDerWaalsContact CE-CH2 3.43Å; M317-W474 HydrophobicContact CE-CZ2 4.42Å; M317-W474 HydrophobicContact CE-CZ3 3.06Å
318I92Very high77.8Confident0 Ų031.3 Ų31.30%016%0.156CC..EExtended strand (participates in β ladder)trans-110.5122.4170.1-61.6179000107.6Y287 L288 L289 T294 L299 E331 R332 T333Y287-I318 HydrophobicContact CE2-CG2 3.87Å; L288-I318 WeakPolarHBondContact CA-O 3.26Å; L289-I318 PolarHBondContact N-O 2.99Å; L289-I318 PolarHBondContact O-N 3.13Å; T294-I318 HydrophobicContact CG2-CB 4.23Å; T294-I318 HydrophobicContact CG2-CD1 3.81Å; T294-I318 HydrophobicContact CG2-CG1 3.85Å; L299-I318 HydrophobicContact CD1-CD1 4.09Å; L299-I318 HydrophobicContact CD2-CD1 4.29Å; I318-E331 HydrophobicContact CG2-CG 3.57Å; I318-R332 WeakPolarHBondContact CA-O 3.13Å; I318-T333 HydrophobicContact CG1-CG2 4.43Å
319I92.3Very high79.4Confident0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-108.6131.7169.2-172.8169.6000108.6F237 A240 I244 I261 L264 L288 E331 R332 Y334F237-I319 HydrophobicContact CE1-CG2 4.22Å; F237-I319 HydrophobicContact CZ-CD1 4.47Å; F237-I319 HydrophobicContact CZ-CG1 4.41Å; F237-I319 HydrophobicContact CZ-CG2 3.73Å; A240-I319 HydrophobicContact CB-CD1 4.03Å; I244-I319 HydrophobicContact CD1-CD1 4.42Å; I261-I319 HydrophobicContact CG2-CD1 4.49Å; L264-I319 HydrophobicContact CD1-CD1 4.07Å; L264-I319 HydrophobicContact CD1-CG1 4.26Å; L288-I319 HydrophobicContact CD1-CB 4.03Å; L288-I319 HydrophobicContact CD1-CG1 4.42Å; I319-E331 VanDerWaalsContact O-CA 3.31Å; I319-E331 WeakPolarHBondContact O-CA 3.19Å; I319-R332 HydrophobicContact CG2-CB 4.1Å; I319-R332 PolarHBondContact N-O 3.09Å; I319-R332 PolarHBondContact O-N 2.9Å; I319-Y334 HydrophobicContact CG2-CD2 3.74Å; I319-Y334 HydrophobicContact CG2-CE2 3.44Å; I319-Y334 VanDerWaalsContact CG2-CE2 3.44Å
320H92.7Very high81.3Confident1 Ų124.6 Ų24.61%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-125.3126.6174.3172.478.7000109.3C284 P285 P286 Y287 C330 E331C284-H320 PolarHBondContact O-NE2 2.72Å; C284-H320 VanDerWaalsContact O-NE2 3.07Å; P285-H320 PolarHBondContact O-CD2 3.2Å; P285-H320 VanDerWaalsContact O-CD2 3.23Å; P286-H320 WeakPolarHBondContact CA-O 3.29Å; P286-H320 WeakPolarHBondContact CB-O 3.44Å; Y287-H320 HydrophobicContact CD1-CB 3.67Å; Y287-H320 AromaticContact CD1-CD2 3.66Å; Y287-H320 AromaticContact CD1-CG 3.93Å; Y287-H320 HydrophobicContact CD2-CB 4.13Å; Y287-H320 HydrophobicContact CE1-CB 3.28Å; Y287-H320 AromaticContact CE1-CD2 3.49Å; Y287-H320 VanDerWaalsContact CE1-CD2 3.49Å; Y287-H320 WeakPolarHBondContact CE1-CD2 3.31Å; Y287-H320 AromaticContact CE1-CG 3.44Å; Y287-H320 VanDerWaalsContact CE1-CG 3.44Å; Y287-H320 HydrophobicContact CE2-CB 3.84Å; Y287-H320 HydrophobicContact CG-CB 4.07Å; Y287-H320 AromaticContact CZ-CG 3.96Å; Y287-H320 PolarHBondContact N-O 3.26Å; Y287-H320 VanDerWaalsContact N-O 3.09Å; Y287-H320 PolarHBondContact O-N 3.39Å; H320-C330 CarbonylContact C-O 3.49Å; H320-C330 WeakPolarHBondContact CA-O 3.2Å; H320-E331 HydrophobicContact CB-CB 4.4Å; H320-E331 HydrophobicContact CB-CG 4.21Å; H320-E331 IonicContact ND1-OE2 3.69Å
321G91.1Very high83.2Confident0 Ų023.9 Ų23.90%012%0.117CC..EExtended strand (participates in β ladder)trans-114.7141.7171.800000110S329 C330G321-S329 CarbonylContact O-C 3.59Å; G321-S329 VanDerWaalsContact O-CA 3.24Å; G321-S329 WeakPolarHBondContact O-CA 2.93Å; G321-C330 PolarHBondContact N-O 3.4Å; G321-C330 PolarHBondContact O-N 3.02Å
322S88.8Confident85Confident1 Ų116.6 Ų16.61%0.0079%0.089CC..EExtended strand (participates in β ladder)trans-143.3150.7174.158.80000112.5Y268 C284 I328Y268-S322 VanDerWaalsContact CD2-OG 3.28Å; Y268-S322 WeakPolarHBondContact CD2-OG 3.49Å; Y268-S322 WeakPolarHBondContact CE2-OG 3.36Å; C284-S322 VanDerWaalsContact O-CB 3.31Å; C284-S322 WeakPolarHBondContact O-CB 3.44Å; C284-S322 PolarHBondContact O-OG 3.34Å; S322-I328 CarbonylContact C-O 3.52Å; S322-I328 VanDerWaalsContact CA-O 3.26Å; S322-I328 WeakPolarHBondContact CA-O 3.48Å
323E86Confident86.7Confident10 Ų1011.6 Ų11.65%0.0476%0.063CC..  trans-128.2127.3177.2-171.1-67.6129.300107.3T229 F233 I267 S271 T325 V326 G327 I328T229-E323 HydrophobicContact CG2-CG 3.69Å; T229-E323 VanDerWaalsContact CG2-OE2 3.25Å; T229-E323 WeakPolarHBondContact CG2-OE2 3.09Å; F233-E323 HydrophobicContact CD2-CB 4.06Å; I267-E323 HydrophobicContact CG2-CB 4.22Å; I267-E323 HydrophobicContact CG2-CG 3.82Å; S271-E323 VanDerWaalsContact CB-OE1 3.26Å; S271-E323 WeakPolarHBondContact CB-OE1 3.39Å; E323-T325 VanDerWaalsContact CD-N 3.28Å; E323-T325 WeakPolarHBondContact OE1-CA 3.05Å; E323-T325 WeakPolarHBondContact OE1-CB 3.36Å; E323-T325 VanDerWaalsContact OE1-CG2 3.29Å; E323-T325 WeakPolarHBondContact OE1-CG2 3.44Å; E323-T325 PolarHBondContact OE1-N 3.11Å; E323-T325 PolarHBondContact OE1-OG1 3.47Å; E323-T325 PolarHBondContact OE2-N 3.33Å; E323-T325 VanDerWaalsContact OE2-N 3.17Å; E323-T325 PolarHBondContact OE2-OG1 3.33Å; E323-T325 VanDerWaalsContact OE2-OG1 3.04Å; E323-V326 PolarHBondContact OE2-N 3.41Å; E323-G327 CarbonylContact O-C 3.6Å; E323-G327 WeakPolarHBondContact O-CA 3.35Å; E323-G327 PolarHBondContact O-N 3.07Å; E323-G327 VanDerWaalsContact O-N 3.07Å; E323-I328 HydrophobicContact CB-CB 4.31Å; E323-I328 PolarHBondContact N-O 3.44Å; E323-I328 PolarHBondContact O-N 3.47Å
324Q79.4Confident87.9Confident34 Ų346.3 Ų6.316%0.1593%0.034CC..THydrogen-bonded Turntrans-88.2-22.6-168.6-64.8-177.5-37.400115.7Y268 S271 N272 V326Y268-Q324 HydrophobicContact CD2-CG 3.69Å; Y268-Q324 HydrophobicContact CE2-CG 3.39Å; Y268-Q324 PolarHBondContact OH-NE2 3.09Å; S271-Q324 WeakPolarHBondContact OG-CB 3.25Å; S271-Q324 PolarHBondContact OG-N 3.39Å; S271-Q324 VanDerWaalsContact OG-N 3.1Å; N272-Q324 PolarHBondContact OD1-OE1 3.48Å; Q324-V326 PolarHBondContact O-N 3.13Å
325T77.7Confident88.7Confident39 Ų395.7 Ų5.724%0.2393%0.031CC..THydrogen-bonded Turntrans-65.6-43.3-172.361.60000112E323E323-T325 VanDerWaalsContact CD-N 3.28Å; E323-T325 WeakPolarHBondContact OE1-CA 3.05Å; E323-T325 WeakPolarHBondContact OE1-CB 3.36Å; E323-T325 VanDerWaalsContact OE1-CG2 3.29Å; E323-T325 WeakPolarHBondContact OE1-CG2 3.44Å; E323-T325 PolarHBondContact OE1-N 3.11Å; E323-T325 PolarHBondContact OE1-OG1 3.47Å; E323-T325 PolarHBondContact OE2-N 3.33Å; E323-T325 VanDerWaalsContact OE2-N 3.17Å; E323-T325 PolarHBondContact OE2-OG1 3.33Å; E323-T325 VanDerWaalsContact OE2-OG1 3.04Å
326V78.8Confident88.9Confident15 Ų155.1 Ų5.19%0.0913%0.028CC..THydrogen-bonded Turntrans-112.9-17.5175.4-173.90000111.2F221 F225 T229 E323 Q324 H409 L418F221-V326 HydrophobicContact CE1-CG1 4.34Å; F221-V326 HydrophobicContact CZ-CG1 4.15Å; F221-V326 HydrophobicContact CZ-CG2 4.16Å; F225-V326 HydrophobicContact CD2-CB 4.02Å; F225-V326 HydrophobicContact CD2-CG1 3.75Å; F225-V326 HydrophobicContact CD2-CG2 3.85Å; F225-V326 HydrophobicContact CE2-CB 3.79Å; F225-V326 HydrophobicContact CE2-CG1 3.49Å; F225-V326 VanDerWaalsContact CE2-CG1 3.49Å; F225-V326 HydrophobicContact CE2-CG2 4.15Å; F225-V326 HydrophobicContact CZ-CG1 4.38Å; T229-V326 HydrophobicContact CG2-CG2 4.39Å; E323-V326 PolarHBondContact OE2-N 3.41Å; Q324-V326 PolarHBondContact O-N 3.13Å; V326-H409 HydrophobicContact CG1-CB 4.43Å; V326-L418 HydrophobicContact CG1-CD1 3.5Å
327G84.5Confident88.6Confident1 Ų16.6 Ų6.61%0.014%0.035CC..  trans87.429.8172.900000114.9E323 S329 V408E323-G327 CarbonylContact O-C 3.6Å; E323-G327 WeakPolarHBondContact O-CA 3.35Å; E323-G327 PolarHBondContact O-N 3.07Å; E323-G327 VanDerWaalsContact O-N 3.07Å; G327-S329 PolarHBondContact O-N 3.21Å; G327-V408 VanDerWaalsContact CA-CG1 3.41Å; G327-V408 WeakPolarHBondContact O-CG1 3.14Å
328I88.3Confident87.8Confident0 Ų09.6 Ų9.60%05%0.048CC..  trans-61.5133.1170.5-61.2163.8000108.3F225 T229 F230 F233 S322 E323 T465F225-I328 HydrophobicContact CD2-CD1 4.5Å; F225-I328 HydrophobicContact CE2-CD1 3.34Å; F225-I328 HydrophobicContact CE2-CG1 3.71Å; F225-I328 HydrophobicContact CZ-CD1 3.43Å; F225-I328 VanDerWaalsContact CZ-CD1 3.43Å; F225-I328 HydrophobicContact CZ-CG1 3.69Å; T229-I328 HydrophobicContact CG2-CD1 3.97Å; F230-I328 HydrophobicContact CB-CD1 4.24Å; F230-I328 HydrophobicContact CD2-CD1 4.27Å; F233-I328 HydrophobicContact CD1-CG2 3.59Å; F233-I328 HydrophobicContact CD2-CG2 4.42Å; F233-I328 HydrophobicContact CE1-CG2 3.56Å; F233-I328 HydrophobicContact CE2-CG2 4.4Å; F233-I328 HydrophobicContact CG-CG2 4.03Å; F233-I328 HydrophobicContact CZ-CG2 3.99Å; S322-I328 CarbonylContact C-O 3.52Å; S322-I328 VanDerWaalsContact CA-O 3.26Å; S322-I328 WeakPolarHBondContact CA-O 3.48Å; E323-I328 HydrophobicContact CB-CB 4.31Å; E323-I328 PolarHBondContact N-O 3.44Å; E323-I328 PolarHBondContact O-N 3.47Å; I328-T465 HydrophobicContact CG2-CG2 4.04Å
329S90.9Very high87Confident0 Ų012.1 Ų12.10%07%0.065CC..EExtended strand (participates in β ladder)trans-140.9146.9166.656.70000112.3G321 G327 T420 K442 T444G321-S329 CarbonylContact O-C 3.59Å; G321-S329 VanDerWaalsContact O-CA 3.24Å; G321-S329 WeakPolarHBondContact O-CA 2.93Å; G327-S329 PolarHBondContact O-N 3.21Å; S329-T420 WeakPolarHBondContact OG-CG2 3.37Å; S329-K442 WeakPolarHBondContact OG-CD 3.41Å; S329-K442 WeakPolarHBondContact OG-CE 3.21Å; S329-K442 PolarHBondContact OG-NZ 3.13Å; S329-T444 PolarHBondContact N-OG1 2.91Å; S329-T444 PolarHBondContact O-OG1 3.4Å
330C92.9Very high85.9Confident0 Ų014.3 Ų14.30%08%0.076CC..EExtended strand (participates in β ladder)trans-139.5127.7178.9-174.20000108.9F233 F237 H320 G321 R332 K442 T465 I468F233-C330 HydrophobicContact CE1-CB 3.93Å; F233-C330 HydrophobicContact CZ-CB 3.83Å; F237-C330 HydrophobicContact CD2-CB 4.38Å; F237-C330 HydrophobicContact CE2-CB 3.94Å; H320-C330 CarbonylContact C-O 3.49Å; H320-C330 WeakPolarHBondContact CA-O 3.2Å; G321-C330 PolarHBondContact N-O 3.4Å; G321-C330 PolarHBondContact O-N 3.02Å; C330-R332 PolarHBondContact SG-NH1 2.97Å; C330-K442 WeakPolarHBondContact CA-O 3.26Å; C330-T465 HydrophobicContact CB-CG2 3.82Å; C330-I468 HydrophobicContact CB-CD1 3.84Å; C330-I468 VanDerWaalsContact SG-CD1 3.59Å
331E93.7Very high84.5Confident0 Ų022 Ų220%012%0.116CC..EExtended strand (participates in β ladder)trans-124.7132.2174.7-171.4176.5116.900108.2Y287 I318 I319 H320 R424 G440 K442Y287-E331 PolarHBondContact OH-OE2 2.79Å; I318-E331 HydrophobicContact CG2-CG 3.57Å; I319-E331 VanDerWaalsContact O-CA 3.31Å; I319-E331 WeakPolarHBondContact O-CA 3.19Å; H320-E331 HydrophobicContact CB-CB 4.4Å; H320-E331 HydrophobicContact CB-CG 4.21Å; H320-E331 IonicContact ND1-OE2 3.69Å; E331-R424 IonicContact OE1-CZ 3.69Å; E331-R424 IonicContact OE1-NE 3Å; E331-R424 PolarHBondContact OE1-NE 3.47Å; E331-R424 VanDerWaalsContact OE1-NE 3.13Å; E331-R424 IonicContact OE1-NH2 2.88Å; E331-R424 IonicContact OE2-CZ 3.37Å; E331-R424 IonicContact OE2-NE 3.88Å; E331-R424 IonicContact OE2-NH2 3.6Å; E331-R424 PolarHBondContact OE2-NH2 3.08Å; E331-G440 VanDerWaalsContact OE1-CA 3.24Å; E331-G440 WeakPolarHBondContact OE1-CA 3.5Å; E331-K442 HydrophobicContact CB-CB 3.35Å; E331-K442 PolarHBondContact N-O 2.92Å; E331-K442 PolarHBondContact O-N 3.4Å
332R92.8Very high83.1Confident0 Ų023 Ų230%012%0.123CC..EExtended strand (participates in β ladder)trans-134.4140.5-179.4-65.8-70.9-174.7-91.72.5109.8F237 I318 I319 C330 Y334 K442 D443 T465 I468F237-R332 HydrophobicContact CZ-CG 4.23Å; I318-R332 WeakPolarHBondContact CA-O 3.13Å; I319-R332 HydrophobicContact CG2-CB 4.1Å; I319-R332 PolarHBondContact N-O 3.09Å; I319-R332 PolarHBondContact O-N 2.9Å; C330-R332 PolarHBondContact SG-NH1 2.97Å; R332-Y334 HydrophobicContact CB-CD1 4.2Å; R332-Y334 HydrophobicContact CB-CD2 4.32Å; R332-Y334 HydrophobicContact CB-CE1 3.62Å; R332-Y334 HydrophobicContact CB-CE2 3.73Å; R332-Y334 HydrophobicContact CG-CE1 4.15Å; R332-Y334 HydrophobicContact CG-CE2 4.47Å; R332-Y334 WeakPolarHBondContact CG-OH 3.36Å; R332-K442 PolarHBondContact NH1-O 3.48Å; R332-D443 IonicContact CZ-OD1 3.07Å; R332-D443 IonicContact NH1-OD1 3.1Å; R332-D443 PolarHBondContact NH1-OD1 3.16Å; R332-D443 IonicContact NH2-OD1 3.88Å; R332-D443 PolarHBondContact NH2-OD1 3.02Å; R332-D443 IonicContact NH2-OD2 3.83Å; R332-T465 PolarHBondContact NH2-O 3.31Å; R332-I468 HydrophobicContact CG-CG2 4.22Å
333T93.6Very high82Confident0 Ų028.7 Ų28.70%015%0.153CC..EExtended strand (participates in β ladder)trans-100.4123.1168.2-55.40000107.9H316 M317 I318 F335 Y357 M439 G440H316-T333 HydrophobicContact CB-CG2 4.34Å; M317-T333 CarbonylContact O-C 3.56Å; M317-T333 WeakPolarHBondContact O-CA 3.17Å; I318-T333 HydrophobicContact CG1-CG2 4.43Å; T333-F335 HydrophobicContact CG2-CZ 4.29Å; T333-Y357 PolarHBondContact N-OH 2.9Å; T333-Y357 WeakPolarHBondContact O-CE1 3.13Å; T333-M439 HydrophobicContact CG2-CE 4.23Å; T333-M439 HydrophobicContact CG2-CG 4.2Å; T333-G440 PolarHBondContact N-O 3.45Å; T333-G440 PolarHBondContact OG1-N 2.61Å; T333-G440 PolarHBondContact OG1-O 3.07Å
334Y92.6Very high81.3Confident0 Ų033.9 Ų33.90%018%0.181CC..EExtended strand (participates in β ladder)trans-122.5166178.6-57.2-48000112.1F237 L241 H316 M317 I319 R332 P469 C472 W474F237-Y334 HydrophobicContact CE1-CE2 4.38Å; L241-Y334 HydrophobicContact CD2-CD2 4.24Å; L241-Y334 HydrophobicContact CD2-CE2 3.53Å; H316-Y334 CarbonylContact C-O 3.58Å; H316-Y334 WeakPolarHBondContact CA-O 3.34Å; H316-Y334 WeakPolarHBondContact CB-O 3.47Å; M317-Y334 HydrophobicContact CE-CD2 3.93Å; M317-Y334 HydrophobicContact CE-CG 4.34Å; M317-Y334 PolarHBondContact N-O 3.34Å; M317-Y334 PolarHBondContact O-N 3.23Å; I319-Y334 HydrophobicContact CG2-CD2 3.74Å; I319-Y334 HydrophobicContact CG2-CE2 3.44Å; I319-Y334 VanDerWaalsContact CG2-CE2 3.44Å; R332-Y334 HydrophobicContact CB-CD1 4.2Å; R332-Y334 HydrophobicContact CB-CD2 4.32Å; R332-Y334 HydrophobicContact CB-CE1 3.62Å; R332-Y334 HydrophobicContact CB-CE2 3.73Å; R332-Y334 HydrophobicContact CG-CE1 4.15Å; R332-Y334 HydrophobicContact CG-CE2 4.47Å; R332-Y334 WeakPolarHBondContact CG-OH 3.36Å; Y334-P469 WeakPolarHBondContact CE1-O 3.36Å; Y334-P469 PolarHBondContact OH-O 3.44Å; Y334-C472 HydrophobicContact CD1-CB 3.62Å; Y334-C472 HydrophobicContact CD2-CB 4.38Å; Y334-C472 HydrophobicContact CE1-CB 3.95Å; Y334-C472 HydrophobicContact CG-CB 3.82Å; Y334-W474 HydrophobicContact CD2-CH2 4.11Å; Y334-W474 HydrophobicContact CD2-CZ3 4.23Å; Y334-W474 HydrophobicContact CG-CH2 4.36Å; Y334-W474 HydrophobicContact CG-CZ3 4.1Å
335F91.2Very high81.1Confident0 Ų037 Ų370%020%0.195CC..EExtended strand (participates in β ladder)trans-125142.9-167.1-61.9-78.7000112.2M315 H316 T333 L350 L353 I354 Y357 M439 I471 C472 Y473 W474M315-F335 WeakPolarHBondContact O-CA 3.47Å; H316-F335 HydrophobicContact CB-CD1 3.91Å; H316-F335 HydrophobicContact CB-CE1 4.02Å; T333-F335 HydrophobicContact CG2-CZ 4.29Å; F335-L350 HydrophobicContact CB-CD1 4.27Å; F335-L350 HydrophobicContact CD1-CD1 3.95Å; F335-L350 HydrophobicContact CG-CD1 4.49Å; F335-L353 HydrophobicContact CE1-CB 3.97Å; F335-I354 HydrophobicContact CB-CD1 4.3Å; F335-I354 HydrophobicContact CB-CG1 4.43Å; F335-I354 HydrophobicContact CD1-CD1 4.2Å; F335-I354 HydrophobicContact CD1-CG1 3.54Å; F335-I354 HydrophobicContact CD2-CD1 4.37Å; F335-I354 HydrophobicContact CD2-CG1 3.77Å; F335-I354 HydrophobicContact CE1-CG1 3.59Å; F335-I354 HydrophobicContact CE2-CB 4.48Å; F335-I354 HydrophobicContact CE2-CG1 3.81Å; F335-I354 HydrophobicContact CG-CD1 4.02Å; F335-I354 HydrophobicContact CG-CG1 3.63Å; F335-I354 HydrophobicContact CZ-CB 4.33Å; F335-I354 HydrophobicContact CZ-CG1 3.72Å; F335-Y357 AromaticContact CE2-CD1 3.72Å; F335-Y357 HydrophobicContact CE2-CD1 3.72Å; F335-Y357 HydrophobicContact CE2-CE1 4.49Å; F335-Y357 HydrophobicContact CE2-CG 4.14Å; F335-Y357 HydrophobicContact CZ-CD1 4.16Å; F335-Y357 HydrophobicContact CZ-CG 4.1Å; F335-M439 HydrophobicContact CE1-CE 3.61Å; F335-M439 HydrophobicContact CZ-CE 3.67Å; F335-I471 HydrophobicContact CD2-CD1 4.11Å; F335-I471 HydrophobicContact CD2-CG1 4.03Å; F335-I471 HydrophobicContact CE2-CD1 4.1Å; F335-I471 HydrophobicContact CE2-CG1 4.23Å; F335-C472 PolarHBondContact N-O 3.06Å; F335-Y473 HydrophobicContact CB-CD2 3.71Å; F335-Y473 HydrophobicContact CB-CE2 4.31Å; F335-Y473 WeakPolarHBondContact O-CA 2.96Å; F335-W474 PolarHBondContact O-N 3.03Å; F335-W474 VanDerWaalsContact O-N 3.09Å
336L87.1Confident81Confident5 Ų537.8 Ų37.83%0.02620%0.195CC..EExtended strand (participates in β ladder)trans-130.8137.1-173.4-63.2144000109.1Y290 M315 M317 W474Y290-L336 HydrophobicContact CD1-CD1 3.95Å; Y290-L336 HydrophobicContact CE1-CD1 3.67Å; M315-L336 PolarHBondContact O-N 2.63Å; M317-L336 HydrophobicContact CB-CD1 4.14Å; M317-L336 HydrophobicContact CG-CD1 4.07Å; M317-L336 HydrophobicContact SD-CD1 3.95Å; L336-W474 HydrophobicContact CD2-CB 4.06Å; L336-W474 HydrophobicContact CD2-CD2 4.23Å; L336-W474 HydrophobicContact CD2-CE3 3.9Å; L336-W474 HydrophobicContact CD2-CG 4.33Å; L336-W474 HydrophobicContact CG-CE3 4.4Å
337K83.3Confident80.9Confident33 Ų3338.7 Ų38.714%0.14320%0.2CC..  trans-134.2112169.3-179.7170.2179168.80109S339 N347 Y473 W474 T475 P476K337-S339 WeakPolarHBondContact CE-O 3.4Å; K337-S339 WeakPolarHBondContact CG-O 3.16Å; K337-N347 PolarHBondContact NZ-OD1 2.84Å; K337-Y473 HydrophobicContact CB-CE2 4.12Å; K337-Y473 WeakPolarHBondContact CB-OH 3.11Å; K337-Y473 WeakPolarHBondContact CD-OH 3.14Å; K337-W474 PolarHBondContact N-O 2.78Å; K337-T475 HydrophobicContact CB-CG2 4.26Å; K337-T475 WeakPolarHBondContact O-CA 3.41Å; K337-P476 WeakPolarHBondContact O-CD 3.31Å
338K74.8Confident80.6Confident63 Ų6346.3 Ų46.327%0.27423%0.228SC..  trans-81.6-36.7-175.3-74.2-177.51721770114.1H310 N312H310-K338 PolarHBondContact CE1-NZ 3.08Å; N312-K338 PolarHBondContact OD1-NZ 2.89Å
339S74.9Confident80.4Confident52 Ų5248.2 Ų48.236%0.36424%0.238SC..  trans-127.1146.8179.8-173.30000111.1K337 I341K337-S339 WeakPolarHBondContact CE-O 3.4Å; K337-S339 WeakPolarHBondContact CG-O 3.16Å; S339-I341 VanDerWaalsContact C-N 3.33Å; S339-I341 PolarHBondContact OG-N 3.34Å
340I68.4Low80.1Confident46 Ų4648.4 Ų48.424%0.23624%0.239CC..SBendtrans-71.7-34.8170.6-55.1177000110.4S342 P476 E479 S480 L483I340-S342 PolarHBondContact O-N 2.98Å; I340-P476 HydrophobicContact CD1-CG 4.34Å; I340-P476 HydrophobicContact CG1-CG 3.75Å; I340-E479 VanDerWaalsContact CD1-C 3.42Å; I340-E479 HydrophobicContact CD1-CB 3.44Å; I340-E479 VanDerWaalsContact CD1-CB 3.44Å; I340-E479 HydrophobicContact CG1-CB 4.37Å; I340-S480 VanDerWaalsContact CD1-N 3.32Å; I340-S480 WeakPolarHBondContact CD1-OG 3.48Å; I340-L483 HydrophobicContact CB-CD1 4.49Å; I340-L483 HydrophobicContact CD1-CD1 3.73Å; I340-L483 HydrophobicContact CG2-CD1 3.9Å
341I64.6Low79.6Confident162 Ų16254.2 Ų54.283%0.83126%0.264SS*.SBendtrans-84.168.4178.7-47.2173.4000108S339S339-I341 VanDerWaalsContact C-N 3.33Å; S339-I341 PolarHBondContact OG-N 3.34Å
342S61.3Low79.2Confident21 Ų2156.2 Ų56.215%0.14728%0.277CS..  trans-103.2148.5174.660.20000110.2I340 N347I340-S342 PolarHBondContact O-N 2.98Å; S342-N347 PolarHBondContact O-ND2 3.47Å; S342-N347 PolarHBondContact OG-ND2 2.63Å; S342-N347 PolarHBondContact OG-OD1 2.98Å
343D65.4Low78.9Confident121 Ų12156.3 Ų56.365%0.64728%0.277SS*.  trans-53.4142175.3-83-26.5000111.5K345 Q346 N347D343-K345 PolarHBondContact O-N 2.9Å; D343-K345 VanDerWaalsContact O-N 3.08Å; D343-Q346 HydrophobicContact CB-CG 4.44Å; D343-Q346 PolarHBondContact O-N 2.95Å; D343-N347 PolarHBondContact O-N 3.13Å; D343-N347 VanDerWaalsContact O-N 3.09Å
344N71.2Confident78.6Confident120 Ų12056.4 Ų56.464%0.64228%0.278SS*.Hα-helixtrans-53.9-31.6175.5-87.7-24.2000112.2R348N344-R348 WeakPolarHBondContact O-CG 3.31Å; N344-R348 PolarHBondContact O-N 3.36Å; N344-R348 VanDerWaalsContact O-N 3.07Å
345K75.7Confident78.2Confident100 Ų10060.6 Ų60.644%0.43530%0.297SS..Hα-helixtrans-64.3-48.4174.7-170.6-179.1174.3-170.10111.9D343 N347 R348 L349 E432D343-K345 PolarHBondContact O-N 2.9Å; D343-K345 VanDerWaalsContact O-N 3.08Å; K345-N347 PolarHBondContact O-N 2.85Å; K345-R348 PolarHBondContact O-N 3.48Å; K345-L349 WeakPolarHBondContact O-CB 3.24Å; K345-L349 PolarHBondContact O-N 2.97Å; K345-E432 IonicContact NZ-OE1 2.94Å; K345-E432 PolarHBondContact NZ-OE1 3.29Å; K345-E432 IonicContact NZ-OE2 4Å; K345-E432 PolarHBondContact NZ-OE2 2.86Å
346Q75.6Confident78Confident54 Ų5460.8 Ų60.825%0.25230%0.298SS..Hα-helixtrans-62.3-41.4177.6-74.2-176.8-17.700112D313 M315 D343 R348 L349 L350D313-Q346 PolarHBondContact OD1-NE2 3.14Å; M315-Q346 HydrophobicContact CE-CB 4.16Å; D343-Q346 HydrophobicContact CB-CG 4.44Å; D343-Q346 PolarHBondContact O-N 2.95Å; Q346-R348 PolarHBondContact O-N 2.92Å; Q346-L349 PolarHBondContact O-N 2.77Å; Q346-L350 WeakPolarHBondContact O-CB 3.22Å; Q346-L350 PolarHBondContact O-N 3.08Å
347N76.5Confident78.2Confident35 Ų3560.5 Ų60.519%0.18730%0.297CS..Hα-helixtrans-63.4-40.6176.3-81.9-41000112.4K337 S342 D343 K345 K351K337-N347 PolarHBondContact NZ-OD1 2.84Å; S342-N347 PolarHBondContact O-ND2 3.47Å; S342-N347 PolarHBondContact OG-ND2 2.63Å; S342-N347 PolarHBondContact OG-OD1 2.98Å; D343-N347 PolarHBondContact O-N 3.13Å; D343-N347 VanDerWaalsContact O-N 3.09Å; K345-N347 PolarHBondContact O-N 2.85Å; N347-K351 VanDerWaalsContact O-CG 3.29Å; N347-K351 WeakPolarHBondContact O-CG 3.24Å; N347-K351 PolarHBondContact O-N 2.81Å; N347-K351 VanDerWaalsContact O-N 3.11Å
348R78.9Confident78.2Confident161 Ų16160 Ų6061%0.60830%0.295SS*.Hα-helixtrans-64.3-46.8174.8-75.3177.4-174.3178.12.1111.1N344 K345 Q346 L350 K351 T352N344-R348 WeakPolarHBondContact O-CG 3.31Å; N344-R348 PolarHBondContact O-N 3.36Å; N344-R348 VanDerWaalsContact O-N 3.07Å; K345-R348 PolarHBondContact O-N 3.48Å; Q346-R348 PolarHBondContact O-N 2.92Å; R348-L350 PolarHBondContact O-N 2.77Å; R348-K351 WeakPolarHBondContact O-CB 3.27Å; R348-K351 PolarHBondContact O-N 2.98Å; R348-T352 PolarHBondContact O-N 3.27Å; R348-T352 PolarHBondContact O-OG1 2.94Å; R348-T352 VanDerWaalsContact O-OG1 3.05Å
349L84Confident78.8Confident39 Ų3959.2 Ų59.220%0.20429%0.292CS..Hα-helixtrans-60.1-46.9178.9179.660.4000112K345 Q346 K351 T352 L353 D430 V436K345-L349 WeakPolarHBondContact O-CB 3.24Å; K345-L349 PolarHBondContact O-N 2.97Å; Q346-L349 PolarHBondContact O-N 2.77Å; L349-K351 VanDerWaalsContact C-N 3.32Å; L349-K351 PolarHBondContact O-N 3.02Å; L349-T352 WeakPolarHBondContact O-CB 3.34Å; L349-T352 PolarHBondContact O-N 3.3Å; L349-L353 HydrophobicContact CD1-CG 4.42Å; L349-L353 HydrophobicContact CG-CD1 4.33Å; L349-L353 WeakPolarHBondContact O-CG 2.87Å; L349-L353 PolarHBondContact O-N 2.62Å; L349-D430 HydrophobicContact CD1-CB 4.15Å; L349-V436 HydrophobicContact CD1-CG1 4.33Å; L349-V436 HydrophobicContact CD1-CG2 3.88Å; L349-V436 HydrophobicContact CD2-CG1 4.04Å; L349-V436 HydrophobicContact CD2-CG2 4.14Å; L349-V436 HydrophobicContact CG-CG1 4.41Å
350L84.1Confident79.5Confident4 Ų456.8 Ų56.82%0.02128%0.275CS..Hα-helixtrans-57.7-43.9175.3178.868.1000111.9M315 F335 Q346 R348 T352 L353 I354 Y473M315-L350 HydrophobicContact CB-CD1 4.01Å; M315-L350 HydrophobicContact CE-CB 3.61Å; M315-L350 HydrophobicContact CE-CD1 4.2Å; M315-L350 HydrophobicContact CE-CD2 3.87Å; M315-L350 HydrophobicContact CE-CG 4.08Å; F335-L350 HydrophobicContact CB-CD1 4.27Å; F335-L350 HydrophobicContact CD1-CD1 3.95Å; F335-L350 HydrophobicContact CG-CD1 4.49Å; Q346-L350 WeakPolarHBondContact O-CB 3.22Å; Q346-L350 PolarHBondContact O-N 3.08Å; R348-L350 PolarHBondContact O-N 2.77Å; L350-T352 PolarHBondContact O-N 2.98Å; L350-L353 PolarHBondContact O-N 3.05Å; L350-I354 HydrophobicContact CD1-CD1 3.86Å; L350-I354 HydrophobicContact CD1-CG1 4.32Å; L350-I354 HydrophobicContact CD2-CD1 4.47Å; L350-I354 HydrophobicContact CG-CD1 3.8Å; L350-I354 VanDerWaalsContact O-CG1 3.23Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 3.16Å; L350-Y473 HydrophobicContact CD2-CE2 3.91Å
351K81.5Confident80.4Confident123 Ų12354.6 Ų54.654%0.53526%0.264SS..Hα-helixtrans-60.8-44.2176-75.1176179.2-1730111.6N347 R348 L349 I354 Q355N347-K351 VanDerWaalsContact O-CG 3.29Å; N347-K351 WeakPolarHBondContact O-CG 3.24Å; N347-K351 PolarHBondContact O-N 2.81Å; N347-K351 VanDerWaalsContact O-N 3.11Å; R348-K351 WeakPolarHBondContact O-CB 3.27Å; R348-K351 PolarHBondContact O-N 2.98Å; L349-K351 VanDerWaalsContact C-N 3.32Å; L349-K351 PolarHBondContact O-N 3.02Å; K351-I354 PolarHBondContact O-N 2.97Å; K351-Q355 WeakPolarHBondContact O-CB 3.35Å; K351-Q355 PolarHBondContact O-N 2.82Å
352T84.8Confident81.3Confident42 Ų4250.5 Ų50.526%0.25824%0.244SC..Hα-helixtrans-60.4-47.5176.5-56.80000111.4R348 L349 L350 I354 Q355 I356 F395 V396R348-T352 PolarHBondContact O-N 3.27Å; R348-T352 PolarHBondContact O-OG1 2.94Å; R348-T352 VanDerWaalsContact O-OG1 3.05Å; L349-T352 WeakPolarHBondContact O-CB 3.34Å; L349-T352 PolarHBondContact O-N 3.3Å; L350-T352 PolarHBondContact O-N 2.98Å; T352-I354 PolarHBondContact O-N 3.45Å; T352-Q355 WeakPolarHBondContact O-CB 2.91Å; T352-Q355 PolarHBondContact O-N 2.86Å; T352-I356 HydrophobicContact CG2-CD1 4.25Å; T352-I356 VanDerWaalsContact O-CG1 3.29Å; T352-I356 WeakPolarHBondContact O-CG1 3.46Å; T352-I356 PolarHBondContact O-N 3.23Å; T352-F395 HydrophobicContact CG2-CE2 4.15Å; T352-V396 HydrophobicContact CG2-CG2 3.74Å
353L88.4Confident82.5Confident1 Ų149.6 Ų49.61%0.00524%0.238CC..Hα-helixtrans-58.8-48.3177.3-69.4172.9000111.2M315 F335 L349 L350 Q355 I356 Y357 I428 V436 M439M315-L353 HydrophobicContact CB-CD1 4.39Å; F335-L353 HydrophobicContact CE1-CB 3.97Å; L349-L353 HydrophobicContact CD1-CG 4.42Å; L349-L353 HydrophobicContact CG-CD1 4.33Å; L349-L353 WeakPolarHBondContact O-CG 2.87Å; L349-L353 PolarHBondContact O-N 2.62Å; L350-L353 PolarHBondContact O-N 3.05Å; L353-Q355 VanDerWaalsContact C-N 3.31Å; L353-Q355 PolarHBondContact O-N 3.02Å; L353-I356 WeakPolarHBondContact O-CB 3.46Å; L353-I356 PolarHBondContact O-N 3.29Å; L353-Y357 PolarHBondContact O-N 2.86Å; L353-I428 HydrophobicContact CD2-CD1 4.3Å; L353-I428 HydrophobicContact CD2-CG2 4.18Å; L353-V436 HydrophobicContact CD1-CG1 3.88Å; L353-V436 HydrophobicContact CD2-CG1 4.08Å; L353-V436 HydrophobicContact CG-CG1 4.48Å; L353-M439 HydrophobicContact CB-CE 3.57Å; L353-M439 HydrophobicContact CD2-CE 3.9Å; L353-M439 HydrophobicContact CG-CE 4.27Å; L353-M439 VanDerWaalsContact O-CE 3.23Å; L353-M439 WeakPolarHBondContact O-CE 3.44Å
354I85.5Confident83.6Confident3 Ų343.8 Ų43.82%0.01521%0.207CC..Hα-helixtrans-62.4-41.2179.3-65.3169.2000110.9F335 L350 K351 T352 I356 Y357 L358 I471 P573F335-I354 HydrophobicContact CB-CD1 4.3Å; F335-I354 HydrophobicContact CB-CG1 4.43Å; F335-I354 HydrophobicContact CD1-CD1 4.2Å; F335-I354 HydrophobicContact CD1-CG1 3.54Å; F335-I354 HydrophobicContact CD2-CD1 4.37Å; F335-I354 HydrophobicContact CD2-CG1 3.77Å; F335-I354 HydrophobicContact CE1-CG1 3.59Å; F335-I354 HydrophobicContact CE2-CB 4.48Å; F335-I354 HydrophobicContact CE2-CG1 3.81Å; F335-I354 HydrophobicContact CG-CD1 4.02Å; F335-I354 HydrophobicContact CG-CG1 3.63Å; F335-I354 HydrophobicContact CZ-CB 4.33Å; F335-I354 HydrophobicContact CZ-CG1 3.72Å; L350-I354 HydrophobicContact CD1-CD1 3.86Å; L350-I354 HydrophobicContact CD1-CG1 4.32Å; L350-I354 HydrophobicContact CD2-CD1 4.47Å; L350-I354 HydrophobicContact CG-CD1 3.8Å; L350-I354 VanDerWaalsContact O-CG1 3.23Å; L350-I354 WeakPolarHBondContact O-CG1 3.31Å; L350-I354 PolarHBondContact O-N 3.16Å; K351-I354 PolarHBondContact O-N 2.97Å; T352-I354 PolarHBondContact O-N 3.45Å; I354-I356 VanDerWaalsContact C-N 3.35Å; I354-I356 PolarHBondContact O-N 3.15Å; I354-Y357 PolarHBondContact O-N 3.19Å; I354-L358 HydrophobicContact CG2-CD1 3.87Å; I354-L358 HydrophobicContact CG2-CG 4.22Å; I354-L358 VanDerWaalsContact O-CG 3.22Å; I354-L358 WeakPolarHBondContact O-CG 3.46Å; I354-L358 PolarHBondContact O-N 3.46Å; I354-I471 HydrophobicContact CG2-CD1 4.22Å; I354-P573 HydrophobicContact CB-CB 4.47Å; I354-P573 HydrophobicContact CD1-CB 3.34Å; I354-P573 HydrophobicContact CD1-CG 3.6Å; I354-P573 HydrophobicContact CG1-CB 4.38Å; I354-P573 HydrophobicContact CG2-CB 3.85Å
355Q84.4Confident84.2Confident88 Ų8839 Ų3941%0.41118%0.184SC..Hα-helixtrans-59.1-44.1174.9-174.4-178.9-2.900112.3K351 T352 L353 Y357 L358 H359 F395K351-Q355 WeakPolarHBondContact O-CB 3.35Å; K351-Q355 PolarHBondContact O-N 2.82Å; T352-Q355 WeakPolarHBondContact O-CB 2.91Å; T352-Q355 PolarHBondContact O-N 2.86Å; L353-Q355 VanDerWaalsContact C-N 3.31Å; L353-Q355 PolarHBondContact O-N 3.02Å; Q355-Y357 VanDerWaalsContact C-N 3.35Å; Q355-Y357 PolarHBondContact O-N 3.46Å; Q355-L358 PolarHBondContact O-N 3.13Å; Q355-H359 PolarHBondContact O-CD2 2.91Å; Q355-H359 PolarHBondContact O-N 3.37Å; Q355-F395 HydrophobicContact CG-CZ 4.1Å
356I88.3Confident84.7Confident3 Ų336.9 Ų36.92%0.01518%0.176CC..Hα-helixtrans-59.8-46.7175.2-64.4164.3000110.4T352 L353 I354 L358 H359 L360 I393 F395 V396 I425 I428 M439T352-I356 HydrophobicContact CG2-CD1 4.25Å; T352-I356 VanDerWaalsContact O-CG1 3.29Å; T352-I356 WeakPolarHBondContact O-CG1 3.46Å; T352-I356 PolarHBondContact O-N 3.23Å; L353-I356 WeakPolarHBondContact O-CB 3.46Å; L353-I356 PolarHBondContact O-N 3.29Å; I354-I356 VanDerWaalsContact C-N 3.35Å; I354-I356 PolarHBondContact O-N 3.15Å; I356-L358 PolarHBondContact O-N 3.38Å; I356-H359 WeakPolarHBondContact O-CB 3.44Å; I356-H359 PolarHBondContact O-N 3.3Å; I356-H359 VanDerWaalsContact O-N 3.17Å; I356-L360 PolarHBondContact O-N 3.37Å; I356-I393 HydrophobicContact CG2-CG2 4.45Å; I356-F395 HydrophobicContact CG1-CZ 4.33Å; I356-V396 HydrophobicContact CD1-CB 4.24Å; I356-V396 HydrophobicContact CD1-CG1 4.07Å; I356-V396 HydrophobicContact CD1-CG2 3.97Å; I356-V396 HydrophobicContact CG1-CG2 4.35Å; I356-I425 HydrophobicContact CG2-CD1 3.6Å; I356-I428 HydrophobicContact CD1-CD1 4.03Å; I356-I428 HydrophobicContact CD1-CG2 3.86Å; I356-I428 HydrophobicContact CG2-CD1 4.18Å; I356-M439 HydrophobicContact CB-SD 4.12Å; I356-M439 HydrophobicContact CG2-SD 3.89Å
357Y90.3Very high85.4Confident0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-66.5-35.9-179.2-168.7-118000112.8T333 F335 L353 I354 Q355 H359 L360 I361 M439 F441 Y470T333-Y357 PolarHBondContact N-OH 2.9Å; T333-Y357 WeakPolarHBondContact O-CE1 3.13Å; F335-Y357 AromaticContact CE2-CD1 3.72Å; F335-Y357 HydrophobicContact CE2-CD1 3.72Å; F335-Y357 HydrophobicContact CE2-CE1 4.49Å; F335-Y357 HydrophobicContact CE2-CG 4.14Å; F335-Y357 HydrophobicContact CZ-CD1 4.16Å; F335-Y357 HydrophobicContact CZ-CG 4.1Å; L353-Y357 PolarHBondContact O-N 2.86Å; I354-Y357 PolarHBondContact O-N 3.19Å; Q355-Y357 VanDerWaalsContact C-N 3.35Å; Q355-Y357 PolarHBondContact O-N 3.46Å; Y357-H359 VanDerWaalsContact C-N 3.32Å; Y357-H359 PolarHBondContact O-N 3.38Å; Y357-L360 HydrophobicContact CD2-CB 4.41Å; Y357-L360 HydrophobicContact CD2-CD2 3.91Å; Y357-L360 HydrophobicContact CE2-CD2 3.98Å; Y357-L360 VanDerWaalsContact O-CB 3.3Å; Y357-L360 WeakPolarHBondContact O-CB 3.46Å; Y357-L360 PolarHBondContact O-N 3.48Å; Y357-L360 VanDerWaalsContact O-N 3.13Å; Y357-I361 HydrophobicContact CD1-CD1 3.62Å; Y357-I361 HydrophobicContact CD1-CG1 4.21Å; Y357-I361 HydrophobicContact CE1-CD1 3.49Å; Y357-I361 VanDerWaalsContact CE1-CD1 3.49Å; Y357-I361 HydrophobicContact CE1-CG1 4.02Å; Y357-I361 HydrophobicContact CG-CD1 4.46Å; Y357-I361 WeakPolarHBondContact O-CB 3.39Å; Y357-I361 WeakPolarHBondContact O-CG1 3.49Å; Y357-I361 PolarHBondContact O-N 2.74Å; Y357-M439 HydrophobicContact CD2-SD 4.46Å; Y357-F441 HydrophobicContact CE2-CB 4.49Å; Y357-F441 HydrophobicContact CE2-CD2 4.44Å; Y357-Y470 VanDerWaalsContact CE1-O 3.3Å; Y357-Y470 WeakPolarHBondContact CE1-O 2.96Å; Y357-Y470 PolarHBondContact OH-O 3.46Å
358L84.9Confident86Confident22 Ų2233 Ų3312%0.11516%0.157CC..Hα-helixtrans-63.2-38.6172.4-69.1164.7000111.8I354 Q355 I356 L360 I361 N362 Y576I354-L358 HydrophobicContact CG2-CD1 3.87Å; I354-L358 HydrophobicContact CG2-CG 4.22Å; I354-L358 VanDerWaalsContact O-CG 3.22Å; I354-L358 WeakPolarHBondContact O-CG 3.46Å; I354-L358 PolarHBondContact O-N 3.46Å; Q355-L358 PolarHBondContact O-N 3.13Å; I356-L358 PolarHBondContact O-N 3.38Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.46Å; L358-I361 PolarHBondContact O-N 2.92Å; L358-N362 WeakPolarHBondContact O-CB 3.22Å; L358-N362 VanDerWaalsContact O-CG 3.31Å; L358-N362 PolarHBondContact O-N 2.85Å; L358-Y576 HydrophobicContact CD1-CD2 4.29Å; L358-Y576 HydrophobicContact CD1-CG 3.97Å
359H87Confident86.3Confident46 Ų4630 Ų3021%0.21315%0.153CC..Hα-helixtrans-64.3-36.8172-70.1-49.4000112.2Q355 I356 Y357 N362 A363 I393Q355-H359 PolarHBondContact O-CD2 2.91Å; Q355-H359 PolarHBondContact O-N 3.37Å; I356-H359 WeakPolarHBondContact O-CB 3.44Å; I356-H359 PolarHBondContact O-N 3.3Å; I356-H359 VanDerWaalsContact O-N 3.17Å; Y357-H359 VanDerWaalsContact C-N 3.32Å; Y357-H359 PolarHBondContact O-N 3.38Å; H359-N362 PolarHBondContact O-N 2.9Å; H359-A363 WeakPolarHBondContact O-CB 3.36Å; H359-A363 PolarHBondContact O-N 3.43Å; H359-I393 HydrophobicContact CB-CG2 4.22Å
360L89.1Confident86.6Confident1 Ų133.6 Ų33.61%0.00516%0.164CC..Hα-helixtrans-63.9-49.5174.7-166.669.6000111.5I356 Y357 L358 N362 A363 V364 I389 L423 I425 F441I356-L360 PolarHBondContact O-N 3.37Å; Y357-L360 HydrophobicContact CD2-CB 4.41Å; Y357-L360 HydrophobicContact CD2-CD2 3.91Å; Y357-L360 HydrophobicContact CE2-CD2 3.98Å; Y357-L360 VanDerWaalsContact O-CB 3.3Å; Y357-L360 WeakPolarHBondContact O-CB 3.46Å; Y357-L360 PolarHBondContact O-N 3.48Å; Y357-L360 VanDerWaalsContact O-N 3.13Å; L358-L360 VanDerWaalsContact C-N 3.31Å; L358-L360 PolarHBondContact O-N 3.46Å; L360-N362 VanDerWaalsContact C-N 3.33Å; L360-N362 PolarHBondContact O-N 3.05Å; L360-A363 WeakPolarHBondContact O-CA 3.5Å; L360-A363 WeakPolarHBondContact O-CB 3.43Å; L360-A363 PolarHBondContact O-N 3.2Å; L360-V364 WeakPolarHBondContact O-CG2 3.42Å; L360-V364 PolarHBondContact O-N 3.33Å; L360-I389 HydrophobicContact CD1-CD1 4.45Å; L360-L423 HydrophobicContact CD1-CB 3.82Å; L360-L423 HydrophobicContact CD1-CD2 3.99Å; L360-L423 HydrophobicContact CG-CB 4.39Å; L360-I425 HydrophobicContact CD1-CD1 4.04Å; L360-I425 HydrophobicContact CD1-CG1 4.24Å; L360-F441 HydrophobicContact CD2-CB 3.76Å; L360-F441 HydrophobicContact CG-CB 4.34Å
361I86.1Confident86.8Confident1 Ų133.4 Ų33.41%0.00516%0.163CC..Hα-helixtrans-53.5-49.4174.1-74.8174.6000110.3Y357 L358 A363 V364 A365 F441 P506 V507Y357-I361 HydrophobicContact CD1-CD1 3.62Å; Y357-I361 HydrophobicContact CD1-CG1 4.21Å; Y357-I361 HydrophobicContact CE1-CD1 3.49Å; Y357-I361 VanDerWaalsContact CE1-CD1 3.49Å; Y357-I361 HydrophobicContact CE1-CG1 4.02Å; Y357-I361 HydrophobicContact CG-CD1 4.46Å; Y357-I361 WeakPolarHBondContact O-CB 3.39Å; Y357-I361 WeakPolarHBondContact O-CG1 3.49Å; Y357-I361 PolarHBondContact O-N 2.74Å; L358-I361 PolarHBondContact O-N 2.92Å; I361-A363 VanDerWaalsContact C-N 3.28Å; I361-A363 PolarHBondContact O-N 3.39Å; I361-V364 WeakPolarHBondContact O-CB 3.22Å; I361-V364 PolarHBondContact O-N 3.12Å; I361-A365 PolarHBondContact O-N 3.22Å; I361-F441 HydrophobicContact CG1-CD2 4.48Å; I361-F441 HydrophobicContact CG1-CE2 4.39Å; I361-P506 HydrophobicContact CG2-CB 3.95Å; I361-V507 HydrophobicContact CB-CG2 4.24Å; I361-V507 HydrophobicContact CG2-CB 4.45Å; I361-V507 HydrophobicContact CG2-CG2 3.29Å
362N83.9Confident87Confident76 Ų7631 Ų3141%0.40615%0.153SC..Hα-helixtrans-64.1-33.3178-72.9-13.8000112.6L358 H359 L360 A365 M366L358-N362 WeakPolarHBondContact O-CB 3.22Å; L358-N362 VanDerWaalsContact O-CG 3.31Å; L358-N362 PolarHBondContact O-N 2.85Å; H359-N362 PolarHBondContact O-N 2.9Å; L360-N362 VanDerWaalsContact C-N 3.33Å; L360-N362 PolarHBondContact O-N 3.05Å; N362-A365 WeakPolarHBondContact O-CB 3.41Å; N362-A365 PolarHBondContact O-N 2.82Å; N362-M366 WeakPolarHBondContact O-CG 3.4Å; N362-M366 PolarHBondContact O-N 2.94Å; N362-M366 VanDerWaalsContact O-N 3.13Å
363A87.5Confident86.8Confident1 Ų133.4 Ų33.41%0.00817%0.167CC..Hα-helixtrans-67-38.8175.400000112.7H359 L360 I361 A365 M366 L367 I385 I389 L423H359-A363 WeakPolarHBondContact O-CB 3.36Å; H359-A363 PolarHBondContact O-N 3.43Å; L360-A363 WeakPolarHBondContact O-CA 3.5Å; L360-A363 WeakPolarHBondContact O-CB 3.43Å; L360-A363 PolarHBondContact O-N 3.2Å; I361-A363 VanDerWaalsContact C-N 3.28Å; I361-A363 PolarHBondContact O-N 3.39Å; A363-A365 PolarHBondContact O-N 3.14Å; A363-M366 HydrophobicContact CB-CE 4.29Å; A363-M366 PolarHBondContact O-N 3.03Å; A363-L367 VanDerWaalsContact O-CB 3.24Å; A363-L367 WeakPolarHBondContact O-CB 3.46Å; A363-L367 PolarHBondContact O-N 3.08Å; A363-I385 HydrophobicContact CB-CG2 3.99Å; A363-I389 HydrophobicContact CB-CD1 3.51Å; A363-I389 HydrophobicContact CB-CG1 3.43Å; A363-I389 VanDerWaalsContact CB-CG1 3.43Å; A363-L423 HydrophobicContact CB-CD2 4.49Å
364V89.1Confident86.5Confident0 Ų034 Ų340%017%0.171CC..Hα-helixtrans-59-37171.5176.90000110.8L360 I361 L367 I368 L421 L423 F441 V507L360-V364 WeakPolarHBondContact O-CG2 3.42Å; L360-V364 PolarHBondContact O-N 3.33Å; I361-V364 WeakPolarHBondContact O-CB 3.22Å; I361-V364 PolarHBondContact O-N 3.12Å; V364-L367 WeakPolarHBondContact O-CB 3.08Å; V364-L367 PolarHBondContact O-N 3.07Å; V364-I368 HydrophobicContact CG1-CD1 3.75Å; V364-I368 HydrophobicContact CG1-CG1 4.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 3.16Å; V364-L421 HydrophobicContact CG1-CD2 4Å; V364-L423 HydrophobicContact CG2-CD1 3.96Å; V364-L423 HydrophobicContact CG2-CD2 3.81Å; V364-L423 HydrophobicContact CG2-CG 4.44Å; V364-F441 HydrophobicContact CB-CE1 4.15Å; V364-F441 HydrophobicContact CB-CZ 4.14Å; V364-F441 HydrophobicContact CG1-CD1 4.48Å; V364-F441 HydrophobicContact CG1-CE1 3.63Å; V364-F441 HydrophobicContact CG1-CZ 3.72Å; V364-F441 HydrophobicContact CG2-CD1 3.62Å; V364-F441 HydrophobicContact CG2-CD2 4.33Å; V364-F441 HydrophobicContact CG2-CE1 3.56Å; V364-F441 HydrophobicContact CG2-CE2 4.22Å; V364-F441 HydrophobicContact CG2-CG 4.03Å; V364-F441 HydrophobicContact CG2-CZ 3.86Å; V364-V507 HydrophobicContact CB-CG1 3.98Å; V364-V507 HydrophobicContact CG1-CG1 3.81Å
365A83.8Confident86.2Confident20 Ų2038.5 Ų38.517%0.16519%0.194CC..Hα-helixtrans-64.1-52.6-179.100000111.5I361 N362 A363 L367 I368 N369 V507I361-A365 PolarHBondContact O-N 3.22Å; N362-A365 WeakPolarHBondContact O-CB 3.41Å; N362-A365 PolarHBondContact O-N 2.82Å; A363-A365 PolarHBondContact O-N 3.14Å; A365-L367 PolarHBondContact O-N 3.28Å; A365-I368 PolarHBondContact O-N 2.84Å; A365-N369 WeakPolarHBondContact O-CB 3.17Å; A365-N369 PolarHBondContact O-N 3.4Å; A365-V507 VanDerWaalsContact CB-C 3.47Å; A365-V507 VanDerWaalsContact CB-CA 3.45Å; A365-V507 HydrophobicContact CB-CB 4.01Å; A365-V507 HydrophobicContact CB-CG1 3.48Å; A365-V507 VanDerWaalsContact CB-CG1 3.48Å; A365-V507 VanDerWaalsContact CB-O 3.23Å; A365-V507 WeakPolarHBondContact CB-O 3.26Å
366M86.2Confident86.1Confident55 Ų5536.5 Ų36.527%0.27119%0.188SC..Hα-helixtrans-61.1-39.5177.6-66-176.9-57.900109.8N362 A363 R370 I385 E388N362-M366 WeakPolarHBondContact O-CG 3.4Å; N362-M366 PolarHBondContact O-N 2.94Å; N362-M366 VanDerWaalsContact O-N 3.13Å; A363-M366 HydrophobicContact CB-CE 4.29Å; A363-M366 PolarHBondContact O-N 3.03Å; M366-R370 WeakPolarHBondContact O-CB 3.2Å; M366-R370 PolarHBondContact O-N 2.83Å; M366-I385 HydrophobicContact CB-CD1 3.89Å; M366-E388 VanDerWaalsContact CE-OE1 3.23Å; M366-E388 WeakPolarHBondContact CE-OE1 3.4Å
367L90Very high85.9Confident0 Ų040.1 Ų40.10%021%0.208CC..Hα-helixtrans-62.4-53.9176.9-179.757.6000112A363 V364 A365 N369 R370 I371 I381 I385 I403 F405 L421 L423A363-L367 VanDerWaalsContact O-CB 3.24Å; A363-L367 WeakPolarHBondContact O-CB 3.46Å; A363-L367 PolarHBondContact O-N 3.08Å; V364-L367 WeakPolarHBondContact O-CB 3.08Å; V364-L367 PolarHBondContact O-N 3.07Å; A365-L367 PolarHBondContact O-N 3.28Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 2.92Å; L367-R370 PolarHBondContact O-N 2.96Å; L367-R370 VanDerWaalsContact O-N 3.16Å; L367-I371 HydrophobicContact CD1-CD1 4.16Å; L367-I371 HydrophobicContact CD1-CG1 4.31Å; L367-I371 HydrophobicContact CG-CD1 4.07Å; L367-I371 VanDerWaalsContact O-CG1 3.26Å; L367-I371 WeakPolarHBondContact O-CG1 3.22Å; L367-I371 PolarHBondContact O-N 3.46Å; L367-I381 HydrophobicContact CD1-CB 4.26Å; L367-I381 HydrophobicContact CD1-CG2 3.38Å; L367-I385 HydrophobicContact CB-CG1 4.18Å; L367-I385 HydrophobicContact CD1-CG1 4.05Å; L367-I403 HydrophobicContact CD2-CG2 4.39Å; L367-F405 HydrophobicContact CD1-CE1 4.46Å; L367-F405 HydrophobicContact CD1-CZ 3.98Å; L367-F405 HydrophobicContact CD2-CE1 4.09Å; L367-F405 HydrophobicContact CD2-CZ 4.01Å; L367-F405 HydrophobicContact CG-CZ 4.48Å; L367-L421 HydrophobicContact CD2-CD1 3.41Å; L367-L421 VanDerWaalsContact CD2-CD1 3.41Å; L367-L421 HydrophobicContact CD2-CD2 3.71Å; L367-L421 HydrophobicContact CD2-CG 4.17Å; L367-L421 HydrophobicContact CG-CD2 4.45Å; L367-L423 HydrophobicContact CD2-CD1 4.37Å
368I88.4Confident85.7Confident7 Ų740.4 Ų40.44%0.03621%0.209CC..Hα-helixtrans-59.3-44.2178.7-68.4171.2000110.7V364 A365 R370 I371 K372 L445 V461V364-I368 HydrophobicContact CG1-CD1 3.75Å; V364-I368 HydrophobicContact CG1-CG1 4.28Å; V364-I368 WeakPolarHBondContact O-CG1 3.23Å; V364-I368 PolarHBondContact O-N 3.16Å; A365-I368 PolarHBondContact O-N 2.84Å; I368-R370 VanDerWaalsContact C-N 3.34Å; I368-R370 PolarHBondContact O-N 2.76Å; I368-I371 PolarHBondContact O-N 2.93Å; I368-K372 PolarHBondContact O-N 3.27Å; I368-L445 HydrophobicContact CD1-CD2 4.16Å; I368-L445 HydrophobicContact CG1-CD1 4.32Å; I368-V461 HydrophobicContact CG2-CB 4.49Å; I368-V461 HydrophobicContact CG2-CG1 4.37Å
369N86Confident85.9Confident98 Ų9842.5 Ų42.552%0.52422%0.22SC..Hα-helixtrans-63.6-40177.3-174.543.2000111.9A365 L367 K372 T373A365-N369 WeakPolarHBondContact O-CB 3.17Å; A365-N369 PolarHBondContact O-N 3.4Å; L367-N369 VanDerWaalsContact C-N 3.32Å; L367-N369 PolarHBondContact O-N 2.92Å; N369-K372 PolarHBondContact O-N 2.86Å; N369-T373 WeakPolarHBondContact O-CB 3.23Å; N369-T373 WeakPolarHBondContact O-CG2 3.4Å; N369-T373 PolarHBondContact O-N 2.97Å; N369-T373 PolarHBondContact O-OG1 2.87Å
370R89Confident86Confident115 Ų11544.4 Ų44.443%0.43423%0.229SC..Hα-helixtrans-66.6-39.1176.3-162.267.1164.9147.20.3111.1M366 L367 I368 K372 T373 T374 I381M366-R370 WeakPolarHBondContact O-CB 3.2Å; M366-R370 PolarHBondContact O-N 2.83Å; L367-R370 PolarHBondContact O-N 2.96Å; L367-R370 VanDerWaalsContact O-N 3.16Å; I368-R370 VanDerWaalsContact C-N 3.34Å; I368-R370 PolarHBondContact O-N 2.76Å; R370-K372 VanDerWaalsContact C-N 3.29Å; R370-K372 PolarHBondContact O-N 3.34Å; R370-T373 WeakPolarHBondContact CA-OG1 3.22Å; R370-T373 PolarHBondContact O-N 3.05Å; R370-T374 HydrophobicContact CG-CG2 4.04Å; R370-T374 WeakPolarHBondContact O-CB 3.44Å; R370-T374 PolarHBondContact O-N 3.21Å; R370-T374 PolarHBondContact O-OG1 3.3Å; R370-I381 HydrophobicContact CB-CG2 3.77Å; R370-I381 HydrophobicContact CG-CG1 4.35Å; R370-I381 HydrophobicContact CG-CG2 3.6Å
371I89Confident86Confident0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-59.2-41.3173.7-66.5167.5000110.8L367 I368 L378 I381 F405 I447 R459 V461L367-I371 HydrophobicContact CD1-CD1 4.16Å; L367-I371 HydrophobicContact CD1-CG1 4.31Å; L367-I371 HydrophobicContact CG-CD1 4.07Å; L367-I371 VanDerWaalsContact O-CG1 3.26Å; L367-I371 WeakPolarHBondContact O-CG1 3.22Å; L367-I371 PolarHBondContact O-N 3.46Å; I368-I371 PolarHBondContact O-N 2.93Å; I371-L378 HydrophobicContact CB-CD2 4.4Å; I371-L378 HydrophobicContact CD1-CD2 4.02Å; I371-L378 HydrophobicContact CG1-CD2 3.74Å; I371-L378 HydrophobicContact CG2-CD2 3.84Å; I371-I381 HydrophobicContact CG1-CD1 4.17Å; I371-F405 HydrophobicContact CD1-CE1 4.18Å; I371-I447 HydrophobicContact CG2-CD1 4.13Å; I371-R459 WeakPolarHBondContact O-CD 3.13Å; I371-V461 HydrophobicContact CB-CG2 4.26Å; I371-V461 HydrophobicContact CG2-CG2 3.52Å
372K85Confident86.2Confident73 Ų7344.7 Ų44.732%0.31723%0.232SC..Hα-helixtrans-69.3-40.3176.9-69.7-177.7179.5-170.50113.2I368 N369 R370 V461I368-K372 PolarHBondContact O-N 3.27Å; N369-K372 PolarHBondContact O-N 2.86Å; R370-K372 VanDerWaalsContact C-N 3.29Å; R370-K372 PolarHBondContact O-N 3.34Å; K372-V461 WeakPolarHBondContact CE-O 3.35Å; K372-V461 HydrophobicContact CG-CB 4.17Å; K372-V461 HydrophobicContact CG-CG2 3.9Å; K372-V461 PolarHBondContact NZ-O 3.43Å; K372-V461 VanDerWaalsContact NZ-O 3.08Å
373T82.2Confident86.6Confident91 Ų9144.8 Ų44.856%0.55824%0.236SC*.Hα-helixtrans-92.7-17.3-170.7540000114.3N369 R370N369-T373 WeakPolarHBondContact O-CB 3.23Å; N369-T373 WeakPolarHBondContact O-CG2 3.4Å; N369-T373 PolarHBondContact O-N 2.97Å; N369-T373 PolarHBondContact O-OG1 2.87Å; R370-T373 WeakPolarHBondContact CA-OG1 3.22Å; R370-T373 PolarHBondContact O-N 3.05Å
374T81.3Confident86.8Confident15 Ų1549 Ų499%0.09225%0.254CS..  trans-114.9142.6179.459.70000112.9R370 T376 I381 R459R370-T374 HydrophobicContact CG-CG2 4.04Å; R370-T374 WeakPolarHBondContact O-CB 3.44Å; R370-T374 PolarHBondContact O-N 3.21Å; R370-T374 PolarHBondContact O-OG1 3.3Å; T374-T376 VanDerWaalsContact C-N 3.33Å; T374-T376 PolarHBondContact OG1-OG1 3.44Å; T374-I381 VanDerWaalsContact OG1-CD1 3.28Å; T374-I381 WeakPolarHBondContact OG1-CD1 3.1Å; T374-R459 PolarHBondContact O-NH1 2.79Å
375L79.1Confident86.9Confident96 Ų9649.5 Ų49.550%0.50326%0.256SS..  trans-93.49.5176.9-54.1-179000112.6L456L375-L456 HydrophobicContact CB-CD2 4.16Å; L375-L456 HydrophobicContact CD2-CD2 3.78Å; L375-L456 HydrophobicContact CD2-CG 3.96Å
376T82.2Confident87.3Confident46 Ų4651.1 Ų51.128%0.28226%0.26SS..SBendtrans-74.6168.1176.352.20000111.8T374 I381 R459T374-T376 VanDerWaalsContact C-N 3.33Å; T374-T376 PolarHBondContact OG1-OG1 3.44Å; T376-I381 WeakPolarHBondContact OG1-CG1 3.45Å; T376-R459 PolarHBondContact O-NH1 3.36Å; T376-R459 PolarHBondContact O-NH2 2.88Å; T376-R459 VanDerWaalsContact O-NH2 3.1Å
377D84.8Confident87.6Confident80 Ų8054.2 Ų54.243%0.42827%0.274SS..  trans-66.7147.1176.1-161.8-1.6000111.3D379 E380 I381D377-D379 VanDerWaalsContact C-N 3.29Å; D377-D379 PolarHBondContact O-N 3.44Å; D377-E380 PolarHBondContact O-N 3.1Å; D377-I381 WeakPolarHBondContact O-CG1 3.38Å; D377-I381 PolarHBondContact O-N 3.31Å
378L86.2Confident87.6Confident5 Ų557.4 Ų57.43%0.02629%0.288CS..Hα-helixtrans-61.8-39.7-178.6-62.4179.6000111.2I371 E380 I381 G382 F405 I419 I447I371-L378 HydrophobicContact CB-CD2 4.4Å; I371-L378 HydrophobicContact CD1-CD2 4.02Å; I371-L378 HydrophobicContact CG1-CD2 3.74Å; I371-L378 HydrophobicContact CG2-CD2 3.84Å; L378-E380 VanDerWaalsContact C-N 3.32Å; L378-E380 PolarHBondContact O-N 2.66Å; L378-I381 WeakPolarHBondContact O-CB 3.49Å; L378-I381 PolarHBondContact O-N 3Å; L378-I381 VanDerWaalsContact O-N 3.12Å; L378-G382 PolarHBondContact O-N 2.93Å; L378-F405 HydrophobicContact CB-CD1 4.48Å; L378-F405 HydrophobicContact CB-CD2 4.07Å; L378-F405 HydrophobicContact CB-CE1 4.46Å; L378-F405 HydrophobicContact CB-CE2 4.12Å; L378-F405 HydrophobicContact CB-CG 4.26Å; L378-F405 HydrophobicContact CB-CZ 4.31Å; L378-F405 WeakPolarHBondContact O-CE2 3.26Å; L378-I419 HydrophobicContact CD1-CD1 3.93Å; L378-I447 HydrophobicContact CD1-CD1 4.21Å; L378-I447 HydrophobicContact CD2-CD1 4.44Å
379D88.5Confident87.7Confident66 Ų6657.2 Ų57.235%0.35329%0.288SS..Hα-helixtrans-62.9-38.2-179.1-65.8-35.3000111.2D377 G382 T383 R412D377-D379 VanDerWaalsContact C-N 3.29Å; D377-D379 PolarHBondContact O-N 3.44Å; D379-G382 PolarHBondContact O-N 3.48Å; D379-T383 WeakPolarHBondContact O-CG2 3.28Å; D379-T383 PolarHBondContact O-N 3.1Å; D379-T383 VanDerWaalsContact O-N 3.1Å; D379-R412 IonicContact OD1-NH2 3.91Å; D379-R412 IonicContact OD2-CZ 3.82Å; D379-R412 IonicContact OD2-NH1 3.62Å; D379-R412 PolarHBondContact OD2-NH1 3.19Å; D379-R412 IonicContact OD2-NH2 2.77Å; D379-R412 PolarHBondContact OD2-NH2 3.44Å
380E89.2Confident88.1Confident86 Ų8657.2 Ų57.240%0.40228%0.283SS..Hα-helixtrans-70.3-33.8174.9-163.1-164.6152.600112.4D377 L378 T383 K384D377-E380 PolarHBondContact O-N 3.1Å; L378-E380 VanDerWaalsContact C-N 3.32Å; L378-E380 PolarHBondContact O-N 2.66Å; E380-T383 PolarHBondContact O-OG1 3.47Å; E380-K384 WeakPolarHBondContact O-CG 3.38Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 WeakPolarHBondContact OE1-CE 3.44Å; E380-K384 IonicContact OE1-NZ 2.72Å; E380-K384 PolarHBondContact OE1-NZ 2.56Å
381I88.8Confident88.2Confident3 Ų358.9 Ų58.92%0.01529%0.293CS..Hα-helixtrans-68.3-42.7174.3-59.9167.9000109.6L367 R370 I371 T374 T376 D377 L378 T383 K384 I385L367-I381 HydrophobicContact CD1-CB 4.26Å; L367-I381 HydrophobicContact CD1-CG2 3.38Å; R370-I381 HydrophobicContact CB-CG2 3.77Å; R370-I381 HydrophobicContact CG-CG1 4.35Å; R370-I381 HydrophobicContact CG-CG2 3.6Å; I371-I381 HydrophobicContact CG1-CD1 4.17Å; T374-I381 VanDerWaalsContact OG1-CD1 3.28Å; T374-I381 WeakPolarHBondContact OG1-CD1 3.1Å; T376-I381 WeakPolarHBondContact OG1-CG1 3.45Å; D377-I381 WeakPolarHBondContact O-CG1 3.38Å; D377-I381 PolarHBondContact O-N 3.31Å; L378-I381 WeakPolarHBondContact O-CB 3.49Å; L378-I381 PolarHBondContact O-N 3Å; L378-I381 VanDerWaalsContact O-N 3.12Å; I381-T383 PolarHBondContact O-N 2.89Å; I381-K384 PolarHBondContact O-N 3.35Å; I381-I385 WeakPolarHBondContact O-CG1 3.5Å; I381-I385 PolarHBondContact O-N 2.83Å; I381-I385 VanDerWaalsContact O-N 3.12Å
382G90.6Very high88.1Confident5 Ų562.4 Ų62.45%0.05231%0.308CS..Hα-helixtrans-58.4-43.9177.100000112.9L378 D379 I385 K386L378-G382 PolarHBondContact O-N 2.93Å; D379-G382 PolarHBondContact O-N 3.48Å; G382-I385 PolarHBondContact O-N 3.07Å; G382-K386 WeakPolarHBondContact O-CB 3.46Å; G382-K386 PolarHBondContact O-N 3.49Å
383T91.8Very high88.3Confident79 Ų7959 Ų5949%0.48529%0.294SS..Hα-helixtrans-64.1-42.6178.654.90000112.8D379 E380 I381 I385 K386 E387D379-T383 WeakPolarHBondContact O-CG2 3.28Å; D379-T383 PolarHBondContact O-N 3.1Å; D379-T383 VanDerWaalsContact O-N 3.1Å; E380-T383 PolarHBondContact O-OG1 3.47Å; I381-T383 PolarHBondContact O-N 2.89Å; T383-I385 PolarHBondContact O-N 2.99Å; T383-K386 WeakPolarHBondContact O-CB 3.28Å; T383-K386 PolarHBondContact O-N 3.17Å; T383-E387 PolarHBondContact O-N 3.31Å; T383-E387 VanDerWaalsContact O-N 3.12Å
384K91.1Very high88.7Confident89 Ų8960.6 Ų60.639%0.38730%0.299SS..Hα-helixtrans-61.6-43.5176.6-71174-174165.10112.1E380 I381 E387 E388E380-K384 WeakPolarHBondContact O-CG 3.38Å; E380-K384 PolarHBondContact O-N 3.04Å; E380-K384 WeakPolarHBondContact OE1-CE 3.44Å; E380-K384 IonicContact OE1-NZ 2.72Å; E380-K384 PolarHBondContact OE1-NZ 2.56Å; I381-K384 PolarHBondContact O-N 3.35Å; K384-E387 PolarHBondContact O-N 3.33Å; K384-E388 PolarHBondContact O-N 3.21Å
385I90.9Very high89Confident11 Ų1164.3 Ų64.36%0.05631%0.314CS..Hα-helixtrans-68.5-38.8177.5-64.7-63000111.1A363 M366 L367 I381 G382 T383 E387 E388 I389 I403A363-I385 HydrophobicContact CB-CG2 3.99Å; M366-I385 HydrophobicContact CB-CD1 3.89Å; L367-I385 HydrophobicContact CB-CG1 4.18Å; L367-I385 HydrophobicContact CD1-CG1 4.05Å; I381-I385 WeakPolarHBondContact O-CG1 3.5Å; I381-I385 PolarHBondContact O-N 2.83Å; I381-I385 VanDerWaalsContact O-N 3.12Å; G382-I385 PolarHBondContact O-N 3.07Å; T383-I385 PolarHBondContact O-N 2.99Å; I385-E387 VanDerWaalsContact C-N 3.28Å; I385-E387 PolarHBondContact O-N 3.4Å; I385-E388 WeakPolarHBondContact O-CB 3.49Å; I385-E388 PolarHBondContact O-N 2.72Å; I385-I389 HydrophobicContact CG2-CD1 4.1Å; I385-I389 HydrophobicContact CG2-CG1 4.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.45Å; I385-I389 PolarHBondContact O-N 3.14Å; I385-I403 HydrophobicContact CB-CD1 4.41Å; I385-I403 HydrophobicContact CG2-CD1 4.11Å
386K93.2Very high89.5Confident54 Ų5460.7 Ų60.724%0.23530%0.296CS..Hα-helixtrans-56.9-41.1174.9-176.4165.2170.3161.80111.6G382 T383 K390 I401 I403G382-K386 WeakPolarHBondContact O-CB 3.46Å; G382-K386 PolarHBondContact O-N 3.49Å; T383-K386 WeakPolarHBondContact O-CB 3.28Å; T383-K386 PolarHBondContact O-N 3.17Å; K386-K390 WeakPolarHBondContact O-CG 3.31Å; K386-K390 PolarHBondContact O-N 2.81Å; K386-K390 VanDerWaalsContact O-N 3.15Å; K386-I401 WeakPolarHBondContact CE-O 3.24Å; K386-I401 HydrophobicContact CG-CG2 4.46Å; K386-I401 PolarHBondContact NZ-O 3.47Å; K386-I403 HydrophobicContact CB-CD1 3.77Å; K386-I403 HydrophobicContact CB-CG1 4.3Å
387E91.7Very high89.9Confident120 Ų12065.6 Ų65.656%0.56131%0.313SS*.Hα-helixtrans-66.2-37.5174.1-69.4-175.5173.100113.3T383 K384 I385 K390 K391T383-E387 PolarHBondContact O-N 3.31Å; T383-E387 VanDerWaalsContact O-N 3.12Å; K384-E387 PolarHBondContact O-N 3.33Å; I385-E387 VanDerWaalsContact C-N 3.28Å; I385-E387 PolarHBondContact O-N 3.4Å; E387-K390 PolarHBondContact O-N 3.5Å; E387-K391 WeakPolarHBondContact O-CG 3.19Å; E387-K391 PolarHBondContact O-N 3.38Å
388E90.4Very high90.3Very high66 Ų6664.7 Ų64.731%0.30830%0.304SS..Hα-helixtrans-67.5-41.4177.5-163.7-176156.900112.1M366 K384 I385 K391 K392M366-E388 VanDerWaalsContact CE-OE1 3.23Å; M366-E388 WeakPolarHBondContact CE-OE1 3.4Å; K384-E388 PolarHBondContact O-N 3.21Å; I385-E388 WeakPolarHBondContact O-CB 3.49Å; I385-E388 PolarHBondContact O-N 2.72Å; E388-K391 PolarHBondContact O-N 2.78Å; E388-K392 PolarHBondContact O-N 2.97Å; E388-K392 VanDerWaalsContact O-N 3.09Å; E388-K392 VanDerWaalsContact OE1-CE 3.22Å; E388-K392 WeakPolarHBondContact OE1-CE 3.42Å; E388-K392 IonicContact OE1-NZ 2.7Å; E388-K392 PolarHBondContact OE1-NZ 2.79Å
389I91.5Very high90.6Very high4 Ų468.8 Ų68.82%0.02133%0.326CS..Hα-helixtrans-59.6-49.6174.3-62.5171000109.6L360 A363 I385 K391 K392 I393 I401 I403 L423L360-I389 HydrophobicContact CD1-CD1 4.45Å; A363-I389 HydrophobicContact CB-CD1 3.51Å; A363-I389 HydrophobicContact CB-CG1 3.43Å; A363-I389 VanDerWaalsContact CB-CG1 3.43Å; I385-I389 HydrophobicContact CG2-CD1 4.1Å; I385-I389 HydrophobicContact CG2-CG1 4.29Å; I385-I389 WeakPolarHBondContact O-CG1 3.45Å; I385-I389 PolarHBondContact O-N 3.14Å; I389-K391 PolarHBondContact O-N 3.37Å; I389-K391 VanDerWaalsContact O-N 3.16Å; I389-K392 PolarHBondContact O-N 2.97Å; I389-I393 HydrophobicContact CG2-CD1 4.01Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 HydrophobicContact CG2-CG2 4.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.05Å; I389-I393 PolarHBondContact O-N 2.95Å; I389-I401 HydrophobicContact CB-CD1 4.4Å; I389-I401 HydrophobicContact CG2-CD1 3.81Å; I389-I403 HydrophobicContact CD1-CD1 4Å; I389-L423 HydrophobicContact CD1-CD2 4.08Å
390K92.9Very high90.7Very high98 Ų9868.8 Ų68.843%0.42632%0.324SS..Hα-helixtrans-53.1-38.5178.7-74.6-179.2177.2-175.60112.6K386 E387 N394 I401K386-K390 WeakPolarHBondContact O-CG 3.31Å; K386-K390 PolarHBondContact O-N 2.81Å; K386-K390 VanDerWaalsContact O-N 3.15Å; E387-K390 PolarHBondContact O-N 3.5Å; K390-N394 PolarHBondContact O-N 2.92Å; K390-I401 HydrophobicContact CG-CD1 3.65Å
391K91.1Very high90.9Very high149 Ų14964.8 Ų64.865%0.64831%0.306SS*.Hα-helixtrans-68.1-41.6175.8-70.4171.8-175.7171.90112.1E387 E388 I389 N394E387-K391 WeakPolarHBondContact O-CG 3.19Å; E387-K391 PolarHBondContact O-N 3.38Å; E388-K391 PolarHBondContact O-N 2.78Å; I389-K391 PolarHBondContact O-N 3.37Å; I389-K391 VanDerWaalsContact O-N 3.16Å; K391-N394 VanDerWaalsContact O-CG 3.28Å; K391-N394 PolarHBondContact O-ND2 3.4Å
392K88.1Confident91.1Very high74 Ų7465.7 Ų65.732%0.32231%0.31SS..Hα-helixtrans-72.1-35.4-178.5-71.2-178.1-176.9171.10113.2E388 I389 F395E388-K392 PolarHBondContact O-N 2.97Å; E388-K392 VanDerWaalsContact O-N 3.09Å; E388-K392 VanDerWaalsContact OE1-CE 3.22Å; E388-K392 WeakPolarHBondContact OE1-CE 3.42Å; E388-K392 IonicContact OE1-NZ 2.7Å; E388-K392 PolarHBondContact OE1-NZ 2.79Å; I389-K392 PolarHBondContact O-N 2.97Å; K392-F395 WeakPolarHBondContact O-CD1 3.26Å; K392-F395 WeakPolarHBondContact O-CE1 3.41Å
393I89.3Confident91.2Very high2 Ų266.5 Ų66.51%0.0131%0.313CS..THydrogen-bonded Turntrans-98.718.2-177.371.8170.9000114.1I356 H359 I389 F395 V396 Y398 I401 I425I356-I393 HydrophobicContact CG2-CG2 4.45Å; H359-I393 HydrophobicContact CB-CG2 4.22Å; I389-I393 HydrophobicContact CG2-CD1 4.01Å; I389-I393 HydrophobicContact CG2-CG1 4.25Å; I389-I393 HydrophobicContact CG2-CG2 4.3Å; I389-I393 WeakPolarHBondContact O-CG1 3.05Å; I389-I393 PolarHBondContact O-N 2.95Å; I393-F395 PolarHBondContact O-N 2.73Å; I393-V396 PolarHBondContact O-N 3.23Å; I393-Y398 HydrophobicContact CD1-CD1 3.79Å; I393-Y398 HydrophobicContact CD1-CE1 3.5Å; I393-Y398 VanDerWaalsContact CD1-CE1 3.5Å; I393-Y398 HydrophobicContact CD1-CG 4.44Å; I393-Y398 HydrophobicContact CG1-CD1 4.28Å; I393-Y398 HydrophobicContact CG1-CE1 3.64Å; I393-I401 HydrophobicContact CD1-CD1 3.61Å; I393-I401 HydrophobicContact CD1-CG1 4.28Å; I393-I401 HydrophobicContact CG1-CD1 4.31Å; I393-I425 HydrophobicContact CD1-CD1 3.84Å; I393-I425 HydrophobicContact CD1-CG1 4.42Å; I393-I425 HydrophobicContact CD1-CG2 4.33Å
394N89.3Confident91.1Very high124 Ų12467.2 Ų67.266%0.66331%0.311SS*.THydrogen-bonded Turntrans-63.2-11.6-177.767.4-3000114.7K390 K391 V396K390-N394 PolarHBondContact O-N 2.92Å; K391-N394 VanDerWaalsContact O-CG 3.28Å; K391-N394 PolarHBondContact O-ND2 3.4Å; N394-V396 VanDerWaalsContact C-N 3.31Å
395F88.9Confident91.1Very high93 Ų9364 Ų6441%0.40830%0.297SS..THydrogen-bonded Turntrans-82.4-5.217963.4-87.5000113.5T352 Q355 I356 K392 I393T352-F395 HydrophobicContact CG2-CE2 4.15Å; Q355-F395 HydrophobicContact CG-CZ 4.1Å; I356-F395 HydrophobicContact CG1-CZ 4.33Å; K392-F395 WeakPolarHBondContact O-CD1 3.26Å; K392-F395 WeakPolarHBondContact O-CE1 3.41Å; I393-F395 PolarHBondContact O-N 2.73Å
396V89.3Confident91Very high20 Ų2066.1 Ų66.112%0.12131%0.307CS..SBendtrans-129.5147.3179.6-172.40000110.7T352 I356 I393 N394 Y398 I428T352-V396 HydrophobicContact CG2-CG2 3.74Å; I356-V396 HydrophobicContact CD1-CB 4.24Å; I356-V396 HydrophobicContact CD1-CG1 4.07Å; I356-V396 HydrophobicContact CD1-CG2 3.97Å; I356-V396 HydrophobicContact CG1-CG2 4.35Å; I393-V396 PolarHBondContact O-N 3.23Å; N394-V396 VanDerWaalsContact C-N 3.31Å; V396-Y398 WeakPolarHBondContact O-CD1 3.49Å; V396-I428 HydrophobicContact CG1-CG2 3.65Å
397K90.8Very high90.8Very high149 Ų14965.9 Ų65.965%0.64831%0.305SS*.  trans-87.7136172.7-66.6-179.9-177.11750110.4Q429K397-Q429 HydrophobicContact CB-CB 4.13Å; K397-Q429 PolarHBondContact O-N 3.15Å
398Y93Very high90.6Very high61 Ų6161.8 Ų61.824%0.23929%0.288CS..  trans-148.6164177.657.1-90.6000108.4I393 V396 I401 I425I393-Y398 HydrophobicContact CD1-CD1 3.79Å; I393-Y398 HydrophobicContact CD1-CE1 3.5Å; I393-Y398 VanDerWaalsContact CD1-CE1 3.5Å; I393-Y398 HydrophobicContact CD1-CG 4.44Å; I393-Y398 HydrophobicContact CG1-CD1 4.28Å; I393-Y398 HydrophobicContact CG1-CE1 3.64Å; V396-Y398 WeakPolarHBondContact O-CD1 3.49Å; Y398-I401 HydrophobicContact CD2-CG1 3.94Å; Y398-I401 HydrophobicContact CE2-CD1 3.79Å; Y398-I401 HydrophobicContact CE2-CG1 3.47Å; Y398-I401 VanDerWaalsContact CE2-CG1 3.47Å; Y398-I425 HydrophobicContact CD2-CG2 4.45Å; Y398-I425 HydrophobicContact CG-CG2 4.11Å
399D91.5Very high90.4Very high92 Ų9260.1 Ų60.149%0.49228%0.28SS..SBendtrans-82.4-58.6-179.7-179.751.1000112.1K296 Y426 D427K296-D399 WeakPolarHBondContact CD-OD2 3.19Å; K296-D399 WeakPolarHBondContact CE-OD2 3.42Å; K296-D399 IonicContact NZ-OD2 3.28Å; K296-D399 PolarHBondContact NZ-OD2 2.93Å; D399-Y426 PolarHBondContact N-O 2.67Å; D399-D427 HydrophobicContact CB-CB 4.13Å
400E92.2Very high90.1Very high65 Ų6561.1 Ų61.130%0.30429%0.291SS..EExtended strand (participates in β ladder)trans-147.9146-173.8179.3172.2-15200111.8K296 K300 Y426K296-E400 WeakPolarHBondContact CE-OE2 3.3Å; K296-E400 IonicContact NZ-OE2 3.46Å; K296-E400 PolarHBondContact NZ-OE2 3.49Å; K300-E400 IonicContact NZ-OE2 3.48Å; K300-E400 PolarHBondContact NZ-OE2 3.22Å; E400-Y426 HydrophobicContact CB-CD2 4.02Å; E400-Y426 HydrophobicContact CG-CD2 4.31Å; E400-Y426 PolarHBondContact O-N 3.31Å
401I92.4Very high89.7Confident3 Ų361.8 Ų61.82%0.01530%0.296CS..EExtended strand (participates in β ladder)trans-108.9132.4167.8-53.5177.9000108.1K386 I389 K390 I393 Y398 R424 I425K386-I401 WeakPolarHBondContact CE-O 3.24Å; K386-I401 HydrophobicContact CG-CG2 4.46Å; K386-I401 PolarHBondContact NZ-O 3.47Å; I389-I401 HydrophobicContact CB-CD1 4.4Å; I389-I401 HydrophobicContact CG2-CD1 3.81Å; K390-I401 HydrophobicContact CG-CD1 3.65Å; I393-I401 HydrophobicContact CD1-CD1 3.61Å; I393-I401 HydrophobicContact CD1-CG1 4.28Å; I393-I401 HydrophobicContact CG1-CD1 4.31Å; Y398-I401 HydrophobicContact CD2-CG1 3.94Å; Y398-I401 HydrophobicContact CE2-CD1 3.79Å; Y398-I401 HydrophobicContact CE2-CG1 3.47Å; Y398-I401 VanDerWaalsContact CE2-CG1 3.47Å; I401-R424 CarbonylContact C-O 3.58Å; I401-R424 WeakPolarHBondContact CA-O 3.21Å; I401-I425 HydrophobicContact CG1-CG1 4.38Å; I401-I425 HydrophobicContact CG2-CG1 4.49Å
402D92.2Very high89.2Confident22 Ų2260.7 Ų60.712%0.11829%0.288CS..EExtended strand (participates in β ladder)trans-123.5138.7180-154.45.8000111.4L423 R424 Y426D402-L423 VanDerWaalsContact O-CA 3.32Å; D402-L423 WeakPolarHBondContact O-CA 3.38Å; D402-R424 PolarHBondContact N-O 3.14Å; D402-R424 PolarHBondContact O-N 3.02Å; D402-Y426 HydrophobicContact CB-CE2 3.84Å
403I92.9Very high88.9Confident22 Ų2260.9 Ų60.911%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-136.6109.5175.5-53.9-168.5000106.4L367 I385 K386 I389 F405 L421 L422 L423L367-I403 HydrophobicContact CD2-CG2 4.39Å; I385-I403 HydrophobicContact CB-CD1 4.41Å; I385-I403 HydrophobicContact CG2-CD1 4.11Å; K386-I403 HydrophobicContact CB-CD1 3.77Å; K386-I403 HydrophobicContact CB-CG1 4.3Å; I389-I403 HydrophobicContact CD1-CD1 4Å; I403-F405 HydrophobicContact CG2-CE2 4.43Å; I403-F405 HydrophobicContact CG2-CZ 4.41Å; I403-L421 HydrophobicContact CG2-CD1 4.37Å; I403-L422 CarbonylContact C-O 3.59Å; I403-L422 VanDerWaalsContact CA-O 3.31Å; I403-L422 WeakPolarHBondContact CA-O 3.29Å; I403-L423 HydrophobicContact CD1-CD2 4.27Å; I403-L423 HydrophobicContact CD1-CG 4.39Å; I403-L423 HydrophobicContact CG1-CD2 4.48Å; I403-L423 HydrophobicContact CG1-CG 4.1Å; I403-L423 HydrophobicContact CG2-CD1 4.43Å; I403-L423 HydrophobicContact CG2-CG 4.28Å
404E89.9Confident88.8Confident94 Ų9462 Ų6244%0.43930%0.303SS..EExtended strand (participates in β ladder)trans-122.4139-176.9-59.7-173145.300110.8L422E404-L422 HydrophobicContact CB-CB 4.37Å; E404-L422 PolarHBondContact N-O 3.23Å; E404-L422 PolarHBondContact O-N 2.8Å
405F91.4Very high88.8Confident21 Ų2156.5 Ų56.59%0.09228%0.275CS..EExtended strand (participates in β ladder)trans-109.7107168.2-55.2-81.7000108.4L367 I371 L378 I403 I419 L421L367-F405 HydrophobicContact CD1-CE1 4.46Å; L367-F405 HydrophobicContact CD1-CZ 3.98Å; L367-F405 HydrophobicContact CD2-CE1 4.09Å; L367-F405 HydrophobicContact CD2-CZ 4.01Å; L367-F405 HydrophobicContact CG-CZ 4.48Å; I371-F405 HydrophobicContact CD1-CE1 4.18Å; L378-F405 HydrophobicContact CB-CD1 4.48Å; L378-F405 HydrophobicContact CB-CD2 4.07Å; L378-F405 HydrophobicContact CB-CE1 4.46Å; L378-F405 HydrophobicContact CB-CE2 4.12Å; L378-F405 HydrophobicContact CB-CG 4.26Å; L378-F405 HydrophobicContact CB-CZ 4.31Å; L378-F405 WeakPolarHBondContact O-CE2 3.26Å; I403-F405 HydrophobicContact CG2-CE2 4.43Å; I403-F405 HydrophobicContact CG2-CZ 4.41Å; F405-I419 HydrophobicContact CD1-CD1 3.87Å; F405-L421 HydrophobicContact CD1-CD1 3.87Å; F405-L421 HydrophobicContact CE1-CD1 3.53Å; F405-L421 HydrophobicContact CZ-CD1 4.22Å
406E89.2Confident89.1Confident55 Ų5552.2 Ų52.226%0.25726%0.257SS..EExtended strand (participates in β ladder)trans-102.1119.3176.6-178179.1-156.500109.4V408 I419 T420 K442E406-V408 HydrophobicContact CG-CG2 4.32Å; E406-V408 WeakPolarHBondContact O-CG2 3.25Å; E406-V408 PolarHBondContact O-N 2.92Å; E406-I419 CarbonylContact O-C 3.6Å; E406-I419 VanDerWaalsContact O-CA 3.27Å; E406-I419 WeakPolarHBondContact O-CA 3.4Å; E406-T420 PolarHBondContact N-O 2.96Å; E406-T420 PolarHBondContact O-N 2.85Å; E406-K442 IonicContact OE2-NZ 3.33Å
407Y88.4Confident89.2Confident50 Ų5051.7 Ų51.720%0.19625%0.253CS..EExtended strand (participates in β ladder)trans-72.3114.9171.6-71.1-97000108.7R412 H417 I419Y407-R412 HydrophobicContact CD1-CG 4.31Å; Y407-R412 HydrophobicContact CD2-CG 4.27Å; Y407-R412 HydrophobicContact CE1-CB 4.43Å; Y407-R412 HydrophobicContact CE1-CG 3.76Å; Y407-R412 HydrophobicContact CE2-CG 3.72Å; Y407-R412 VanDerWaalsContact CE2-NE 3.3Å; Y407-R412 VanDerWaalsContact CZ-CG 3.44Å; Y407-H417 AromaticContact CE1-CD2 3.69Å; Y407-H417 AromaticContact CE1-NE2 3.98Å; Y407-I419 HydrophobicContact CD1-CG2 3.7Å; Y407-I419 HydrophobicContact CD2-CG2 4.43Å; Y407-I419 HydrophobicContact CE1-CG2 3.66Å; Y407-I419 HydrophobicContact CE2-CG2 4.38Å; Y407-I419 HydrophobicContact CG-CG2 4.08Å
408V87.3Confident89.3Confident34 Ų3444.7 Ų44.721%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-103.8-34.9-175.6-164.80000111.9I283 G327 E406 L418 T420I283-V408 HydrophobicContact CD1-CG1 3.63Å; I283-V408 HydrophobicContact CG1-CG1 4.49Å; G327-V408 VanDerWaalsContact CA-CG1 3.41Å; G327-V408 WeakPolarHBondContact O-CG1 3.14Å; E406-V408 HydrophobicContact CG-CG2 4.32Å; E406-V408 WeakPolarHBondContact O-CG2 3.25Å; E406-V408 PolarHBondContact O-N 2.92Å; V408-L418 PolarHBondContact N-O 3.48Å; V408-T420 HydrophobicContact CG2-CG2 3.43Å; V408-T420 VanDerWaalsContact CG2-CG2 3.43Å
409H87.2Confident89.3Confident31 Ų3141.8 Ų41.814%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-142.6127174.9-16586.8000110.6E215 F221 V326 L418E215-H409 PolarHBondContact O-CE1 3.41Å; E215-H409 PolarHBondContact O-NE2 2.96Å; F221-H409 AromaticContact CZ-NE2 3.83Å; V326-H409 HydrophobicContact CG1-CB 4.43Å; H409-L418 HydrophobicContact CB-CB 3.99Å; H409-L418 HydrophobicContact CB-CD1 3.94Å; H409-L418 HydrophobicContact CB-CG 4.46Å; H409-L418 PolarHBondContact N-O 3.15Å; H409-L418 PolarHBondContact O-N 2.94Å
410G84.6Confident89.4Confident25 Ų2537.5 Ų37.526%0.25819%0.188SC..SBendtrans81168.5-170.900000113.9E414G410-E414 WeakPolarHBondContact CA-OE2 3.48Å
411E83.9Confident89.4Confident111 Ų11134.4 Ų34.452%0.51917%0.174SC..  trans-110.2164-175.3-62.5-177.2175.700113S413 E414E411-S413 PolarHBondContact O-N 3Å; E411-S413 VanDerWaalsContact O-N 3.12Å; E411-S413 PolarHBondContact OE2-OG 3.37Å; E411-E414 HydrophobicContact CB-CG 4.23Å; E411-E414 PolarHBondContact N-OE2 3.48Å; E411-E414 PolarHBondContact O-N 3.33Å
412R81.1Confident89.5Confident126 Ų12634.8 Ų34.848%0.47518%0.176SC..THydrogen-bonded Turntrans-54.8-30.3173.9-61.3-161.6171.7-166.5-5.5113.1D379 Y407 E414D379-R412 IonicContact OD1-NH2 3.91Å; D379-R412 IonicContact OD2-CZ 3.82Å; D379-R412 IonicContact OD2-NH1 3.62Å; D379-R412 PolarHBondContact OD2-NH1 3.19Å; D379-R412 IonicContact OD2-NH2 2.77Å; D379-R412 PolarHBondContact OD2-NH2 3.44Å; Y407-R412 HydrophobicContact CD1-CG 4.31Å; Y407-R412 HydrophobicContact CD2-CG 4.27Å; Y407-R412 HydrophobicContact CE1-CB 4.43Å; Y407-R412 HydrophobicContact CE1-CG 3.76Å; Y407-R412 HydrophobicContact CE2-CG 3.72Å; Y407-R412 VanDerWaalsContact CE2-NE 3.3Å; Y407-R412 VanDerWaalsContact CZ-CG 3.44Å; R412-E414 VanDerWaalsContact C-N 3.33Å
413S82.7Confident89.6Confident79 Ų7933.8 Ų33.855%0.55217%0.171SC*.THydrogen-bonded Turntrans-72.4-27.8-179.159.70000112.3E411E411-S413 PolarHBondContact O-N 3Å; E411-S413 VanDerWaalsContact O-N 3.12Å; E411-S413 PolarHBondContact OE2-OG 3.37Å
414E87.3Confident89.6Confident24 Ų2433.6 Ų33.611%0.11217%0.169CC..SBendtrans-78.4149.6-171.7-60.3-170.714100112.5R216 G410 E411 R412 V416 H417R216-E414 WeakPolarHBondContact CG-OE1 3.32Å; R216-E414 IonicContact CZ-OE1 2.83Å; R216-E414 IonicContact NE-OE1 3.72Å; R216-E414 PolarHBondContact NE-OE1 3.01Å; R216-E414 IonicContact NH2-OE1 3.45Å; G410-E414 WeakPolarHBondContact CA-OE2 3.48Å; E411-E414 HydrophobicContact CB-CG 4.23Å; E411-E414 PolarHBondContact N-OE2 3.48Å; E411-E414 PolarHBondContact O-N 3.33Å; R412-E414 VanDerWaalsContact C-N 3.33Å; E414-V416 VanDerWaalsContact C-N 3.29Å; E414-V416 PolarHBondContact O-N 3.3Å; E414-H417 PolarHBondContact O-ND1 3.44Å
415A89.6Confident89.8Confident9 Ų929.1 Ų29.17%0.07415%0.148CC..SBendtrans-66.8-32.2-177.800000112.4S448 S449 S702A415-S448 CarbonylContact O-C 3.57Å; A415-S448 WeakPolarHBondContact O-CA 3.45Å; A415-S449 PolarHBondContact O-N 3.31Å; A415-S702 VanDerWaalsContact CB-O 3.29Å; A415-S702 WeakPolarHBondContact CB-O 3.39Å
416V93.9Very high89.9Confident4 Ų428.3 Ų28.32%0.02414%0.144CC..EExtended strand (participates in β ladder)trans-133129.1180-172.90000109I217 E414 L446 I447 V699 V703I217-V416 HydrophobicContact CB-CB 4.1Å; I217-V416 HydrophobicContact CB-CG1 3.8Å; I217-V416 HydrophobicContact CD1-CG1 4.41Å; I217-V416 HydrophobicContact CG2-CB 4.33Å; I217-V416 HydrophobicContact CG2-CG1 3.56Å; E414-V416 VanDerWaalsContact C-N 3.29Å; E414-V416 PolarHBondContact O-N 3.3Å; V416-L446 HydrophobicContact CG1-CD1 3.55Å; V416-L446 HydrophobicContact CG1-CG 4.44Å; V416-I447 VanDerWaalsContact CA-O 3.31Å; V416-I447 WeakPolarHBondContact CA-O 3.3Å; V416-V699 HydrophobicContact CG1-CG1 4.19Å; V416-V699 HydrophobicContact CG2-CG1 3.92Å; V416-V703 HydrophobicContact CG2-CG2 3.94Å
417H92.8Very high90Very high8 Ų827.1 Ų27.14%0.03714%0.139CC..EExtended strand (participates in β ladder)trans-149155.6-177.247.3-97.3000111.3Y407 E414 I447Y407-H417 AromaticContact CE1-CD2 3.69Å; Y407-H417 AromaticContact CE1-NE2 3.98Å; E414-H417 PolarHBondContact O-ND1 3.44Å; H417-I447 PolarHBondContact N-O 3.3Å; H417-I447 PolarHBondContact O-N 3.05Å
418L93Very high90.2Very high3 Ų324.9 Ų24.92%0.01613%0.131CC..EExtended strand (participates in β ladder)trans-102.6124.6173.4-72.4162.5000109.8I217 V326 V408 H409 T444 L445 L446 L464I217-L418 HydrophobicContact CD1-CB 4.29Å; I217-L418 HydrophobicContact CD1-CD1 3.8Å; I217-L418 HydrophobicContact CD1-CG 3.57Å; V326-L418 HydrophobicContact CG1-CD1 3.5Å; V408-L418 PolarHBondContact N-O 3.48Å; H409-L418 HydrophobicContact CB-CB 3.99Å; H409-L418 HydrophobicContact CB-CD1 3.94Å; H409-L418 HydrophobicContact CB-CG 4.46Å; H409-L418 PolarHBondContact N-O 3.15Å; H409-L418 PolarHBondContact O-N 2.94Å; L418-T444 HydrophobicContact CD2-CG2 4.05Å; L418-L445 WeakPolarHBondContact CA-O 3.1Å; L418-L446 HydrophobicContact CD2-CB 3.79Å; L418-L446 HydrophobicContact CD2-CD1 3.92Å; L418-L446 HydrophobicContact CD2-CG 4.46Å; L418-L446 HydrophobicContact CG-CD1 4.16Å; L418-L464 HydrophobicContact CD2-CD1 3.44Å; L418-L464 VanDerWaalsContact CD2-CD1 3.44Å
419I92.9Very high90.3Very high0 Ų026.2 Ų26.20%014%0.135CC..EExtended strand (participates in β ladder)trans-115.9151170.764.9171.5000109.8L378 F405 E406 Y407 T444 L445 I447L378-I419 HydrophobicContact CD1-CD1 3.93Å; F405-I419 HydrophobicContact CD1-CD1 3.87Å; E406-I419 CarbonylContact O-C 3.6Å; E406-I419 VanDerWaalsContact O-CA 3.27Å; E406-I419 WeakPolarHBondContact O-CA 3.4Å; Y407-I419 HydrophobicContact CD1-CG2 3.7Å; Y407-I419 HydrophobicContact CD2-CG2 4.43Å; Y407-I419 HydrophobicContact CE1-CG2 3.66Å; Y407-I419 HydrophobicContact CE2-CG2 4.38Å; Y407-I419 HydrophobicContact CG-CG2 4.08Å; I419-T444 WeakPolarHBondContact O-CA 3.46Å; I419-L445 HydrophobicContact CD1-CD1 4.34Å; I419-L445 HydrophobicContact CG1-CB 3.87Å; I419-L445 HydrophobicContact CG1-CD1 4.47Å; I419-L445 PolarHBondContact N-O 3.35Å; I419-L445 PolarHBondContact O-N 2.59Å; I419-I447 HydrophobicContact CD1-CD1 3.36Å; I419-I447 HydrophobicContact CD1-CG1 4.26Å; I419-I447 HydrophobicContact CG1-CD1 3.91Å; I419-I447 HydrophobicContact CG1-CG1 4.29Å
420T92.7Very high90.2Very high1 Ų126 Ų261%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-101.4128.9161.261.60000109.5S329 E406 V408 K442 D443 T444S329-T420 WeakPolarHBondContact OG-CG2 3.37Å; E406-T420 PolarHBondContact N-O 2.96Å; E406-T420 PolarHBondContact O-N 2.85Å; V408-T420 HydrophobicContact CG2-CG2 3.43Å; V408-T420 VanDerWaalsContact CG2-CG2 3.43Å; T420-K442 WeakPolarHBondContact OG1-CE 3.4Å; T420-K442 PolarHBondContact OG1-NZ 3.24Å; T420-D443 CarbonylContact C-O 3.58Å; T420-D443 VanDerWaalsContact CA-O 3.29Å; T420-D443 WeakPolarHBondContact CA-O 3.37Å; T420-T444 HydrophobicContact CG2-CG2 4.39Å
421L93.4Very high90Very high0 Ų033.2 Ų33.20%016%0.162CC..EExtended strand (participates in β ladder)trans-96112.7174.7170.561.1000107.7V364 L367 I403 F405 L423 K442 D443 L445V364-L421 HydrophobicContact CG1-CD2 4Å; L367-L421 HydrophobicContact CD2-CD1 3.41Å; L367-L421 VanDerWaalsContact CD2-CD1 3.41Å; L367-L421 HydrophobicContact CD2-CD2 3.71Å; L367-L421 HydrophobicContact CD2-CG 4.17Å; L367-L421 HydrophobicContact CG-CD2 4.45Å; I403-L421 HydrophobicContact CG2-CD1 4.37Å; F405-L421 HydrophobicContact CD1-CD1 3.87Å; F405-L421 HydrophobicContact CE1-CD1 3.53Å; F405-L421 HydrophobicContact CZ-CD1 4.22Å; L421-L423 HydrophobicContact CD1-CD1 3.42Å; L421-L423 VanDerWaalsContact CD1-CD1 3.42Å; L421-L423 HydrophobicContact CD2-CD1 3.88Å; L421-L423 HydrophobicContact CG-CD1 3.43Å; L421-L423 VanDerWaalsContact CG-CD1 3.43Å; L421-K442 CarbonylContact O-C 3.57Å; L421-K442 WeakPolarHBondContact O-CA 3.43Å; L421-D443 PolarHBondContact N-O 2.68Å; L421-D443 PolarHBondContact O-N 2.9Å; L421-L445 HydrophobicContact CB-CD1 3.91Å; L421-L445 HydrophobicContact CB-CG 4.31Å; L421-L445 HydrophobicContact CD2-CD1 4.02Å
422L92.9Very high89.8Confident12 Ų1233.6 Ų33.66%0.06316%0.164CC..EExtended strand (participates in β ladder)trans-108.8125.9176178.865.9000109.9I403 E404 R424 K442I403-L422 CarbonylContact C-O 3.59Å; I403-L422 VanDerWaalsContact CA-O 3.31Å; I403-L422 WeakPolarHBondContact CA-O 3.29Å; E404-L422 HydrophobicContact CB-CB 4.37Å; E404-L422 PolarHBondContact N-O 3.23Å; E404-L422 PolarHBondContact O-N 2.8Å; L422-R424 HydrophobicContact CD1-CG 3.91Å; L422-R424 HydrophobicContact CG-CG 4.19Å; L422-K442 HydrophobicContact CB-CG 4.3Å; L422-K442 HydrophobicContact CD1-CB 3.88Å; L422-K442 HydrophobicContact CD1-CD 4.11Å; L422-K442 HydrophobicContact CD1-CG 4.06Å
423L94Very high89.8Confident1 Ų129.3 Ų29.31%0.00516%0.158CC..EExtended strand (participates in β ladder)trans-123.1124.7167.9-71.676.7000109.5L360 A363 V364 L367 I389 D402 I403 L421 F441L360-L423 HydrophobicContact CD1-CB 3.82Å; L360-L423 HydrophobicContact CD1-CD2 3.99Å; L360-L423 HydrophobicContact CG-CB 4.39Å; A363-L423 HydrophobicContact CB-CD2 4.49Å; V364-L423 HydrophobicContact CG2-CD1 3.96Å; V364-L423 HydrophobicContact CG2-CD2 3.81Å; V364-L423 HydrophobicContact CG2-CG 4.44Å; L367-L423 HydrophobicContact CD2-CD1 4.37Å; I389-L423 HydrophobicContact CD1-CD2 4.08Å; D402-L423 VanDerWaalsContact O-CA 3.32Å; D402-L423 WeakPolarHBondContact O-CA 3.38Å; I403-L423 HydrophobicContact CD1-CD2 4.27Å; I403-L423 HydrophobicContact CD1-CG 4.39Å; I403-L423 HydrophobicContact CG1-CD2 4.48Å; I403-L423 HydrophobicContact CG1-CG 4.1Å; I403-L423 HydrophobicContact CG2-CD1 4.43Å; I403-L423 HydrophobicContact CG2-CG 4.28Å; L421-L423 HydrophobicContact CD1-CD1 3.42Å; L421-L423 VanDerWaalsContact CD1-CD1 3.42Å; L421-L423 HydrophobicContact CD2-CD1 3.88Å; L421-L423 HydrophobicContact CG-CD1 3.43Å; L421-L423 VanDerWaalsContact CG-CD1 3.43Å; L423-F441 PolarHBondContact N-O 3.43Å; L423-F441 PolarHBondContact O-N 3.42Å
424R93.5Very high89.9Confident17 Ų1730.5 Ų30.56%0.06416%0.155CC..EExtended strand (participates in β ladder)trans-131.6142.6178.1-74179.4173.7169.62.7112Y287 L299 E331 I401 D402 L422 Y426 M439Y287-R424 PolarHBondContact OH-NH2 3.48Å; L299-R424 PolarHBondContact O-NH1 3.31Å; E331-R424 IonicContact OE1-CZ 3.69Å; E331-R424 IonicContact OE1-NE 3Å; E331-R424 PolarHBondContact OE1-NE 3.47Å; E331-R424 VanDerWaalsContact OE1-NE 3.13Å; E331-R424 IonicContact OE1-NH2 2.88Å; E331-R424 IonicContact OE2-CZ 3.37Å; E331-R424 IonicContact OE2-NE 3.88Å; E331-R424 IonicContact OE2-NH2 3.6Å; E331-R424 PolarHBondContact OE2-NH2 3.08Å; I401-R424 CarbonylContact C-O 3.58Å; I401-R424 WeakPolarHBondContact CA-O 3.21Å; D402-R424 PolarHBondContact N-O 3.14Å; D402-R424 PolarHBondContact O-N 3.02Å; L422-R424 HydrophobicContact CD1-CG 3.91Å; L422-R424 HydrophobicContact CG-CG 4.19Å; R424-Y426 HydrophobicContact CB-CE1 4.17Å; R424-Y426 HydrophobicContact CB-CE2 4.09Å; R424-Y426 VanDerWaalsContact CD-OH 3.25Å; R424-Y426 WeakPolarHBondContact CD-OH 3.32Å; R424-M439 WeakPolarHBondContact CA-O 3.24Å
425I94.3Very high89.9Confident1 Ų131.8 Ų31.81%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-118.2111.1169-59.1170.7000106.4I356 L360 I393 Y398 I401 I428 S438 M439I356-I425 HydrophobicContact CG2-CD1 3.6Å; L360-I425 HydrophobicContact CD1-CD1 4.04Å; L360-I425 HydrophobicContact CD1-CG1 4.24Å; I393-I425 HydrophobicContact CD1-CD1 3.84Å; I393-I425 HydrophobicContact CD1-CG1 4.42Å; I393-I425 HydrophobicContact CD1-CG2 4.33Å; Y398-I425 HydrophobicContact CD2-CG2 4.45Å; Y398-I425 HydrophobicContact CG-CG2 4.11Å; I401-I425 HydrophobicContact CG1-CG1 4.38Å; I401-I425 HydrophobicContact CG2-CG1 4.49Å; I425-I428 HydrophobicContact CG2-CD1 4.22Å; I425-I428 HydrophobicContact CG2-CG1 3.87Å; I425-S438 CarbonylContact O-C 3.57Å; I425-S438 VanDerWaalsContact O-CA 3.27Å; I425-S438 WeakPolarHBondContact O-CA 3.33Å; I425-S438 WeakPolarHBondContact O-CB 3.35Å; I425-M439 PolarHBondContact N-O 3.24Å; I425-M439 PolarHBondContact O-N 2.92Å
426Y93.5Very high89.7Confident4 Ų432.1 Ų32.12%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-87.4138.8-173.5-67.3-66.6000112.6K296 L299 D399 E400 D402 R424 I428 S438K296-Y426 HydrophobicContact CB-CD1 3.8Å; K296-Y426 HydrophobicContact CB-CG 4.08Å; K296-Y426 HydrophobicContact CD-CD1 4.49Å; K296-Y426 HydrophobicContact CD-CD2 4.42Å; K296-Y426 HydrophobicContact CD-CG 4.08Å; K296-Y426 HydrophobicContact CG-CD1 3.7Å; K296-Y426 HydrophobicContact CG-CD2 4.34Å; K296-Y426 HydrophobicContact CG-CE1 4.17Å; K296-Y426 HydrophobicContact CG-CG 3.78Å; L299-Y426 HydrophobicContact CB-CE1 3.94Å; L299-Y426 HydrophobicContact CD1-CD1 4.29Å; L299-Y426 HydrophobicContact CD1-CE1 4.12Å; D399-Y426 PolarHBondContact N-O 2.67Å; E400-Y426 HydrophobicContact CB-CD2 4.02Å; E400-Y426 HydrophobicContact CG-CD2 4.31Å; E400-Y426 PolarHBondContact O-N 3.31Å; D402-Y426 HydrophobicContact CB-CE2 3.84Å; R424-Y426 HydrophobicContact CB-CE1 4.17Å; R424-Y426 HydrophobicContact CB-CE2 4.09Å; R424-Y426 VanDerWaalsContact CD-OH 3.25Å; R424-Y426 WeakPolarHBondContact CD-OH 3.32Å; Y426-I428 PolarHBondContact O-N 2.91Å; Y426-S438 WeakPolarHBondContact CA-OG 3.45Å
427D91.4Very high89.5Confident29 Ų2931.9 Ų31.916%0.15516%0.164CC..EExtended strand (participates in β ladder)trans47.962.9168.4-61.5-23.2000113.9T295 K296 D399 Q429 T435 S438T295-D427 WeakPolarHBondContact CA-OD1 3.34Å; T295-D427 WeakPolarHBondContact CB-OD1 3.36Å; K296-D427 VanDerWaalsContact CB-OD2 3.26Å; K296-D427 WeakPolarHBondContact CB-OD2 3.47Å; K296-D427 PolarHBondContact N-OD1 2.93Å; D399-D427 HydrophobicContact CB-CB 4.13Å; D427-Q429 PolarHBondContact O-N 3.38Å; D427-T435 HydrophobicContact CB-CG2 3.72Å; D427-S438 PolarHBondContact N-OG 3.22Å; D427-S438 PolarHBondContact OD1-OG 3.24Å
428I92.4Very high89.5Confident3 Ų331.5 Ų31.52%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-64.4131173.6-59.3170.3000109.2L353 I356 V396 I425 Y426 V436 G437 M439L353-I428 HydrophobicContact CD2-CD1 4.3Å; L353-I428 HydrophobicContact CD2-CG2 4.18Å; I356-I428 HydrophobicContact CD1-CD1 4.03Å; I356-I428 HydrophobicContact CD1-CG2 3.86Å; I356-I428 HydrophobicContact CG2-CD1 4.18Å; V396-I428 HydrophobicContact CG1-CG2 3.65Å; I425-I428 HydrophobicContact CG2-CD1 4.22Å; I425-I428 HydrophobicContact CG2-CG1 3.87Å; Y426-I428 PolarHBondContact O-N 2.91Å; I428-V436 WeakPolarHBondContact O-CB 3.49Å; I428-V436 PolarHBondContact O-N 3.38Å; I428-G437 WeakPolarHBondContact CB-O 3.17Å; I428-G437 PolarHBondContact N-O 3.18Å; I428-M439 HydrophobicContact CD1-CB 4.23Å; I428-M439 HydrophobicContact CD1-CG 3.56Å; I428-M439 HydrophobicContact CD1-SD 3.71Å
429Q90.3Very high89.5Confident63 Ų6331.4 Ų31.429%0.29416%0.162SC..EExtended strand (participates in β ladder)trans-103.2146.1-179.6-62.7175.9-6.100111.9K397 D427 Q434K397-Q429 HydrophobicContact CB-CB 4.13Å; K397-Q429 PolarHBondContact O-N 3.15Å; D427-Q429 PolarHBondContact O-N 3.38Å; Q429-Q434 CarbonylContact C-O 3.57Å; Q429-Q434 VanDerWaalsContact CA-O 3.26Å; Q429-Q434 WeakPolarHBondContact CA-O 3.36Å
430D84.8Confident89.4Confident26 Ų2631.4 Ų31.414%0.13916%0.162CC..  trans-78.7-177.5170.875.8-5.6000112.5L349 E432 G433 Q434 V436L349-D430 HydrophobicContact CD1-CB 4.15Å; D430-E432 PolarHBondContact O-N 3.36Å; D430-E432 WeakPolarHBondContact OD1-CA 3.42Å; D430-E432 WeakPolarHBondContact OD1-CB 3.17Å; D430-E432 PolarHBondContact OD1-N 3.45Å; D430-G433 PolarHBondContact O-N 2.9Å; D430-G433 PolarHBondContact OD1-N 2.86Å; D430-Q434 PolarHBondContact N-O 3.48Å; D430-Q434 PolarHBondContact OD1-N 3.12Å; D430-V436 HydrophobicContact CB-CG2 3.78Å
431E80.2Confident89.5Confident176 Ų17631.3 Ų31.382%0.82216%0.162SC*.THydrogen-bonded Turntrans-60.4-23.8177.3-65.6179.417800113.1
432E80.1Confident89.5Confident120 Ų12031.9 Ų31.956%0.56116%0.164SC*.THydrogen-bonded Turntrans-89.7-1.3178.2-68.1174.7-172.800112.7K345 D430 Q434K345-E432 IonicContact NZ-OE1 2.94Å; K345-E432 PolarHBondContact NZ-OE1 3.29Å; K345-E432 IonicContact NZ-OE2 4Å; K345-E432 PolarHBondContact NZ-OE2 2.86Å; D430-E432 PolarHBondContact O-N 3.36Å; D430-E432 WeakPolarHBondContact OD1-CA 3.42Å; D430-E432 WeakPolarHBondContact OD1-CB 3.17Å; D430-E432 PolarHBondContact OD1-N 3.45Å; E432-Q434 VanDerWaalsContact C-N 3.31Å; E432-Q434 HydrophobicContact CB-CG 4.36Å; E432-Q434 PolarHBondContact OE2-NE2 3.39Å
433G80.3Confident89.4Confident35 Ų3531.3 Ų31.336%0.36116%0.161SC..SBendtrans78.810.7-177.200000114D430D430-G433 PolarHBondContact O-N 2.9Å; D430-G433 PolarHBondContact OD1-N 2.86Å
434Q85.8Confident89.4Confident105 Ų10531.3 Ų31.349%0.49116%0.161SC..  trans-80.9136175.6-60.1-174.422.800110.3Q429 D430 E432 V436Q429-Q434 CarbonylContact C-O 3.57Å; Q429-Q434 VanDerWaalsContact CA-O 3.26Å; Q429-Q434 WeakPolarHBondContact CA-O 3.36Å; D430-Q434 PolarHBondContact N-O 3.48Å; D430-Q434 PolarHBondContact OD1-N 3.12Å; E432-Q434 VanDerWaalsContact C-N 3.31Å; E432-Q434 HydrophobicContact CB-CG 4.36Å; E432-Q434 PolarHBondContact OE2-NE2 3.39Å; Q434-V436 PolarHBondContact O-N 3.1Å
435T86.8Confident89.3Confident50 Ų5030.5 Ų30.531%0.30716%0.158SC..EExtended strand (participates in β ladder)trans-69.9118176.5-55.40000110.6D427D427-T435 HydrophobicContact CB-CG2 3.72Å
436V85.7Confident89.2Confident16 Ų1630.6 Ų30.610%0.09716%0.158CC..EExtended strand (participates in β ladder)trans-83.7-33.7178.3-174.80000110.5G291 M292 H316 L349 L353 I428 D430 Q434G291-V436 CarbonylContact C-O 3.6Å; G291-V436 VanDerWaalsContact C-O 3.29Å; M292-V436 PolarHBondContact N-O 2.97Å; H316-V436 PolarHBondContact CE1-O 3.34Å; L349-V436 HydrophobicContact CD1-CG1 4.33Å; L349-V436 HydrophobicContact CD1-CG2 3.88Å; L349-V436 HydrophobicContact CD2-CG1 4.04Å; L349-V436 HydrophobicContact CD2-CG2 4.14Å; L349-V436 HydrophobicContact CG-CG1 4.41Å; L353-V436 HydrophobicContact CD1-CG1 3.88Å; L353-V436 HydrophobicContact CD2-CG1 4.08Å; L353-V436 HydrophobicContact CG-CG1 4.48Å; I428-V436 WeakPolarHBondContact O-CB 3.49Å; I428-V436 PolarHBondContact O-N 3.38Å; D430-V436 HydrophobicContact CB-CG2 3.78Å; Q434-V436 PolarHBondContact O-N 3.1Å
437G89.1Confident89.2Confident0 Ų030.4 Ų30.40%016%0.158CC..EExtended strand (participates in β ladder)trans142.6-178.4-179.300000111.2T294 I428T294-G437 WeakPolarHBondContact OG1-CA 3.39Å; I428-G437 WeakPolarHBondContact CB-O 3.17Å; I428-G437 PolarHBondContact N-O 3.18Å
438S93.2Very high89.4Confident0 Ų029.1 Ų29.10%015%0.151CC..EExtended strand (participates in β ladder)trans-100.9167.1173-49.10000111.8T294 L299 I425 Y426 D427T294-S438 WeakPolarHBondContact O-CB 3.23Å; T294-S438 PolarHBondContact O-N 3.36Å; T294-S438 VanDerWaalsContact O-N 3.12Å; T294-S438 PolarHBondContact O-OG 3.12Å; T294-S438 PolarHBondContact OG1-N 2.75Å; T294-S438 PolarHBondContact OG1-O 3.02Å; L299-S438 VanDerWaalsContact CD1-CB 3.49Å; I425-S438 CarbonylContact O-C 3.57Å; I425-S438 VanDerWaalsContact O-CA 3.27Å; I425-S438 WeakPolarHBondContact O-CA 3.33Å; I425-S438 WeakPolarHBondContact O-CB 3.35Å; Y426-S438 WeakPolarHBondContact CA-OG 3.45Å; D427-S438 PolarHBondContact N-OG 3.22Å; D427-S438 PolarHBondContact OD1-OG 3.24Å
439M93.4Very high89.4Confident0 Ų029.2 Ų29.20%015%0.152CC..EExtended strand (participates in β ladder)trans-122.3144.5171.2-68.6-172.9153.100111T333 F335 L353 I356 Y357 R424 I425 I428T333-M439 HydrophobicContact CG2-CE 4.23Å; T333-M439 HydrophobicContact CG2-CG 4.2Å; F335-M439 HydrophobicContact CE1-CE 3.61Å; F335-M439 HydrophobicContact CZ-CE 3.67Å; L353-M439 HydrophobicContact CB-CE 3.57Å; L353-M439 HydrophobicContact CD2-CE 3.9Å; L353-M439 HydrophobicContact CG-CE 4.27Å; L353-M439 VanDerWaalsContact O-CE 3.23Å; L353-M439 WeakPolarHBondContact O-CE 3.44Å; I356-M439 HydrophobicContact CB-SD 4.12Å; I356-M439 HydrophobicContact CG2-SD 3.89Å; Y357-M439 HydrophobicContact CD2-SD 4.46Å; R424-M439 WeakPolarHBondContact CA-O 3.24Å; I425-M439 PolarHBondContact N-O 3.24Å; I425-M439 PolarHBondContact O-N 2.92Å; I428-M439 HydrophobicContact CD1-CB 4.23Å; I428-M439 HydrophobicContact CD1-CG 3.56Å; I428-M439 HydrophobicContact CD1-SD 3.71Å
440G90.9Very high89.4Confident0 Ų026.2 Ų26.20%014%0.138CC..EExtended strand (participates in β ladder)trans-140.1144.6-175.400000113E331 T333E331-G440 VanDerWaalsContact OE1-CA 3.24Å; E331-G440 WeakPolarHBondContact OE1-CA 3.5Å; T333-G440 PolarHBondContact N-O 3.45Å; T333-G440 PolarHBondContact OG1-N 2.61Å; T333-G440 PolarHBondContact OG1-O 3.07Å
441F92.9Very high89.7Confident0 Ų027.8 Ų27.80%014%0.144CC..EExtended strand (participates in β ladder)trans-141126.9174.3-176.8-73.3000108.1Y357 L360 I361 V364 L423 D443 Y470Y357-F441 HydrophobicContact CE2-CB 4.49Å; Y357-F441 HydrophobicContact CE2-CD2 4.44Å; L360-F441 HydrophobicContact CD2-CB 3.76Å; L360-F441 HydrophobicContact CG-CB 4.34Å; I361-F441 HydrophobicContact CG1-CD2 4.48Å; I361-F441 HydrophobicContact CG1-CE2 4.39Å; V364-F441 HydrophobicContact CB-CE1 4.15Å; V364-F441 HydrophobicContact CB-CZ 4.14Å; V364-F441 HydrophobicContact CG1-CD1 4.48Å; V364-F441 HydrophobicContact CG1-CE1 3.63Å; V364-F441 HydrophobicContact CG1-CZ 3.72Å; V364-F441 HydrophobicContact CG2-CD1 3.62Å; V364-F441 HydrophobicContact CG2-CD2 4.33Å; V364-F441 HydrophobicContact CG2-CE1 3.56Å; V364-F441 HydrophobicContact CG2-CE2 4.22Å; V364-F441 HydrophobicContact CG2-CG 4.03Å; V364-F441 HydrophobicContact CG2-CZ 3.86Å; L423-F441 PolarHBondContact N-O 3.43Å; L423-F441 PolarHBondContact O-N 3.42Å; F441-D443 HydrophobicContact CE1-CB 3.94Å; F441-D443 WeakPolarHBondContact CE1-OD2 3.46Å; F441-D443 WeakPolarHBondContact CZ-OD2 3.48Å; F441-Y470 AromaticContact CE2-CD1 3.51Å; F441-Y470 HydrophobicContact CE2-CD1 3.51Å; F441-Y470 AromaticContact CE2-CE1 3.8Å; F441-Y470 HydrophobicContact CE2-CE1 3.8Å; F441-Y470 AromaticContact CZ-CD1 3.81Å; F441-Y470 HydrophobicContact CZ-CD1 3.81Å; F441-Y470 AromaticContact CZ-CE1 3.57Å; F441-Y470 HydrophobicContact CZ-CE1 3.57Å
442K93.3Very high90.1Very high11 Ų1119.5 Ų19.55%0.04811%0.105CC..EExtended strand (participates in β ladder)trans-136.9131.1173.8-163.8177.5-173.1174.80110.4S329 C330 E331 R332 E406 T420 L421 L422S329-K442 WeakPolarHBondContact OG-CD 3.41Å; S329-K442 WeakPolarHBondContact OG-CE 3.21Å; S329-K442 PolarHBondContact OG-NZ 3.13Å; C330-K442 WeakPolarHBondContact CA-O 3.26Å; E331-K442 HydrophobicContact CB-CB 3.35Å; E331-K442 PolarHBondContact N-O 2.92Å; E331-K442 PolarHBondContact O-N 3.4Å; R332-K442 PolarHBondContact NH1-O 3.48Å; E406-K442 IonicContact OE2-NZ 3.33Å; T420-K442 WeakPolarHBondContact OG1-CE 3.4Å; T420-K442 PolarHBondContact OG1-NZ 3.24Å; L421-K442 CarbonylContact O-C 3.57Å; L421-K442 WeakPolarHBondContact O-CA 3.43Å; L422-K442 HydrophobicContact CB-CG 4.3Å; L422-K442 HydrophobicContact CD1-CB 3.88Å; L422-K442 HydrophobicContact CD1-CD 4.11Å; L422-K442 HydrophobicContact CD1-CG 4.06Å
443D92.6Very high90.5Very high0 Ų016.3 Ų16.30%09%0.092CC..EExtended strand (participates in β ladder)trans-128.6149.7173.9-90-18000111.7R332 T420 L421 F441 L445 N463 T465R332-D443 IonicContact CZ-OD1 3.07Å; R332-D443 IonicContact NH1-OD1 3.1Å; R332-D443 PolarHBondContact NH1-OD1 3.16Å; R332-D443 IonicContact NH2-OD1 3.88Å; R332-D443 PolarHBondContact NH2-OD1 3.02Å; R332-D443 IonicContact NH2-OD2 3.83Å; T420-D443 CarbonylContact C-O 3.58Å; T420-D443 VanDerWaalsContact CA-O 3.29Å; T420-D443 WeakPolarHBondContact CA-O 3.37Å; L421-D443 PolarHBondContact N-O 2.68Å; L421-D443 PolarHBondContact O-N 2.9Å; F441-D443 HydrophobicContact CE1-CB 3.94Å; F441-D443 WeakPolarHBondContact CE1-OD2 3.46Å; F441-D443 WeakPolarHBondContact CZ-OD2 3.48Å; D443-L445 HydrophobicContact CB-CD2 4.26Å; D443-N463 PolarHBondContact OD2-ND2 3.14Å; D443-T465 VanDerWaalsContact CA-OG1 3.3Å; D443-T465 WeakPolarHBondContact CA-OG1 3.36Å; D443-T465 WeakPolarHBondContact CB-OG1 3.26Å; D443-T465 VanDerWaalsContact CG-OG1 3.22Å; D443-T465 WeakPolarHBondContact OD1-CB 3.29Å; D443-T465 PolarHBondContact OD1-OG1 3.19Å
444T92.3Very high90.7Very high1 Ų121 Ų211%0.00611%0.114CC..EExtended strand (participates in β ladder)trans-97.9118.8170.9-54.90000109.2S329 L418 I419 T420 L464 T465S329-T444 PolarHBondContact N-OG1 2.91Å; S329-T444 PolarHBondContact O-OG1 3.4Å; L418-T444 HydrophobicContact CD2-CG2 4.05Å; I419-T444 WeakPolarHBondContact O-CA 3.46Å; T420-T444 HydrophobicContact CG2-CG2 4.39Å; T444-L464 HydrophobicContact CG2-CD1 4.19Å; T444-L464 PolarHBondContact O-N 2.98Å; T444-T465 PolarHBondContact N-OG1 2.69Å; T444-T465 VanDerWaalsContact N-OG1 3.08Å
445L92.4Very high90.6Very high0 Ų020.4 Ų20.40%011%0.113CC..EExtended strand (participates in β ladder)trans-109.8128.4-177.8-53.1-179.7000109.9I368 L418 I419 L421 D443 I447 V461 N463I368-L445 HydrophobicContact CD1-CD2 4.16Å; I368-L445 HydrophobicContact CG1-CD1 4.32Å; L418-L445 WeakPolarHBondContact CA-O 3.1Å; I419-L445 HydrophobicContact CD1-CD1 4.34Å; I419-L445 HydrophobicContact CG1-CB 3.87Å; I419-L445 HydrophobicContact CG1-CD1 4.47Å; I419-L445 PolarHBondContact N-O 3.35Å; I419-L445 PolarHBondContact O-N 2.59Å; L421-L445 HydrophobicContact CB-CD1 3.91Å; L421-L445 HydrophobicContact CB-CG 4.31Å; L421-L445 HydrophobicContact CD2-CD1 4.02Å; D443-L445 HydrophobicContact CB-CD2 4.26Å; L445-I447 HydrophobicContact CB-CG1 4.44Å; L445-V461 HydrophobicContact CB-CG1 3.99Å; L445-V461 HydrophobicContact CD1-CG1 4.29Å; L445-V461 HydrophobicContact CD2-CG1 4.21Å; L445-V461 HydrophobicContact CG-CG1 4.39Å; L445-N463 HydrophobicContact CD2-CB 3.73Å
446L93Very high90.7Very high3 Ų319.8 Ų19.82%0.01611%0.107CC..EExtended strand (participates in β ladder)trans-90.9113.9166.9175.564.4000108.3I217 I222 V416 L418 V461 I462 L464 V699I217-L446 HydrophobicContact CD1-CD1 3.96Å; I217-L446 HydrophobicContact CG2-CD1 4.05Å; I222-L446 HydrophobicContact CD1-CD2 3.83Å; I222-L446 HydrophobicContact CG1-CD2 4.25Å; V416-L446 HydrophobicContact CG1-CD1 3.55Å; V416-L446 HydrophobicContact CG1-CG 4.44Å; L418-L446 HydrophobicContact CD2-CB 3.79Å; L418-L446 HydrophobicContact CD2-CD1 3.92Å; L418-L446 HydrophobicContact CD2-CG 4.46Å; L418-L446 HydrophobicContact CG-CD1 4.16Å; L446-V461 WeakPolarHBondContact O-CA 3.15Å; L446-I462 HydrophobicContact CB-CB 4.25Å; L446-I462 HydrophobicContact CD2-CD1 3.92Å; L446-I462 PolarHBondContact N-O 2.83Å; L446-I462 PolarHBondContact O-N 2.97Å; L446-L464 HydrophobicContact CB-CD1 4.24Å; L446-L464 HydrophobicContact CB-CG 4.31Å; L446-V699 HydrophobicContact CD2-CG2 4.48Å
447I93.5Very high90.7Very high1 Ų119.7 Ų19.71%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-107.2127.6179.7-59.1-169.9000109I371 L378 V416 H417 I419 L445 R459 N460 V461I371-I447 HydrophobicContact CG2-CD1 4.13Å; L378-I447 HydrophobicContact CD1-CD1 4.21Å; L378-I447 HydrophobicContact CD2-CD1 4.44Å; V416-I447 VanDerWaalsContact CA-O 3.31Å; V416-I447 WeakPolarHBondContact CA-O 3.3Å; H417-I447 PolarHBondContact N-O 3.3Å; H417-I447 PolarHBondContact O-N 3.05Å; I419-I447 HydrophobicContact CD1-CD1 3.36Å; I419-I447 HydrophobicContact CD1-CG1 4.26Å; I419-I447 HydrophobicContact CG1-CD1 3.91Å; I419-I447 HydrophobicContact CG1-CG1 4.29Å; L445-I447 HydrophobicContact CB-CG1 4.44Å; I447-R459 HydrophobicContact CG2-CG 3.7Å; I447-N460 WeakPolarHBondContact CA-O 3.44Å; I447-V461 HydrophobicContact CG1-CG1 4.4Å; I447-V461 HydrophobicContact CG1-CG2 4.21Å
448S93.7Very high90.8Very high2 Ų220.2 Ų20.21%0.01411%0.11CC..EExtended strand (participates in β ladder)trans-113.8138169.849.30000110.1A415 R459 N460 H698A415-S448 CarbonylContact O-C 3.57Å; A415-S448 WeakPolarHBondContact O-CA 3.45Å; S448-R459 CarbonylContact O-C 3.56Å; S448-R459 WeakPolarHBondContact O-CA 3.33Å; S448-N460 PolarHBondContact N-O 2.78Å; S448-N460 PolarHBondContact O-N 3.46Å; S448-H698 VanDerWaalsContact CB-ND1 3.31Å; S448-H698 WeakPolarHBondContact CB-ND1 3.37Å; S448-H698 PolarHBondContact O-CE1 3Å; S448-H698 VanDerWaalsContact O-CE1 3.24Å; S448-H698 PolarHBondContact OG-ND1 2.87Å
449S92.5Very high90.6Very high5 Ų521.7 Ų21.74%0.03512%0.116CC..EExtended strand (participates in β ladder)trans-127.9107-175.3-67.40000109.4A415 K451A415-S449 PolarHBondContact O-N 3.31Å; S449-K451 PolarHBondContact O-N 3.47Å
450L91.4Very high90.5Very high0 Ų023 Ų230%012%0.122CC..EExtended strand (participates in β ladder)trans-79.6110.9175.1-178.165.2000108.4I457 S458 A701 S702 F705 I744 A748L450-I457 HydrophobicContact CD2-CB 4.47Å; L450-I457 HydrophobicContact CD2-CG2 4.44Å; L450-I457 HydrophobicContact CG-CB 4.44Å; L450-I457 PolarHBondContact O-N 2.59Å; L450-S458 WeakPolarHBondContact CB-OG 3.37Å; L450-S458 PolarHBondContact N-O 3.43Å; L450-S458 PolarHBondContact O-N 3.43Å; L450-A701 HydrophobicContact CD1-CB 4.03Å; L450-S702 PolarHBondContact N-OG 2.95Å; L450-F705 HydrophobicContact CD1-CB 3.99Å; L450-F705 HydrophobicContact CD1-CD1 3.95Å; L450-F705 HydrophobicContact CD1-CD2 3.98Å; L450-F705 HydrophobicContact CD1-CE1 4.41Å; L450-F705 HydrophobicContact CD1-CE2 4.47Å; L450-F705 HydrophobicContact CD1-CG 3.7Å; L450-I744 HydrophobicContact CD2-CG2 4.09Å; L450-A748 HydrophobicContact CD2-CB 4.39Å
451K90.4Very high90.4Very high59 Ų5923.1 Ų23.126%0.25712%0.123SC..EExtended strand (participates in β ladder)trans-119.5130.9-178-62.5174.8-174.4170.90109.8S449 I455 L456 F705S449-K451 PolarHBondContact O-N 3.47Å; K451-I455 CarbonylContact C-O 3.55Å; K451-I455 VanDerWaalsContact CA-O 3.24Å; K451-I455 WeakPolarHBondContact CA-O 3.18Å; K451-L456 HydrophobicContact CG-CB 4.47Å; K451-L456 HydrophobicContact CG-CD1 3.77Å; K451-F705 WeakPolarHBondContact O-CB 3.35Å
452L89.3Confident90.1Very high2 Ų223.3 Ų23.31%0.0112%0.124CC..EExtended strand (participates in β ladder)trans-92.6108.2164.5172.459.9000107.9T454 I455 I457 I709 L718L452-T454 PolarHBondContact O-N 2.61Å; L452-I455 PolarHBondContact N-O 2.83Å; L452-I455 PolarHBondContact O-N 3.15Å; L452-I457 HydrophobicContact CB-CD1 3.74Å; L452-I457 HydrophobicContact CB-CG1 4.33Å; L452-I709 HydrophobicContact CD1-CB 4.46Å; L452-I709 HydrophobicContact CD1-CD1 3.86Å; L452-I709 HydrophobicContact CD1-CG1 4.44Å; L452-L718 HydrophobicContact CD1-CD2 4.15Å
453N88.4Confident89.8Confident53 Ų5323 Ų2328%0.28312%0.123SC..THydrogen-bonded Turntrans55.4-100.8-171.9-60.3-36.1000110.7P708 I709 A712N453-P708 WeakPolarHBondContact OD1-CA 3.41Å; N453-I709 PolarHBondContact ND2-O 2.92Å; N453-I709 PolarHBondContact OD1-N 3.49Å; N453-A712 PolarHBondContact ND2-O 2.94Å
454T83.4Confident89.5Confident134 Ų13423.2 Ų23.282%0.82212%0.124SC*.THydrogen-bonded Turntrans-106.1-8.7178.354.70000113.7L452L452-T454 PolarHBondContact O-N 2.61Å
455I85.2Confident89.2Confident92 Ų9223.1 Ų23.147%0.47212%0.124SC..EExtended strand (participates in β ladder)trans-91.7118-173.1-57.2173.2000109.4K451 L452 I457K451-I455 CarbonylContact C-O 3.55Å; K451-I455 VanDerWaalsContact CA-O 3.24Å; K451-I455 WeakPolarHBondContact CA-O 3.18Å; L452-I455 PolarHBondContact N-O 2.83Å; L452-I455 PolarHBondContact O-N 3.15Å; I455-I457 PolarHBondContact O-N 2.99Å
456L87.5Confident88.6Confident36 Ų3623.7 Ų23.719%0.18813%0.126CC..EExtended strand (participates in β ladder)trans-73.7117.4174.3-176.267.5000110.2L375 K451L375-L456 HydrophobicContact CB-CD2 4.16Å; L375-L456 HydrophobicContact CD2-CD2 3.78Å; L375-L456 HydrophobicContact CD2-CG 3.96Å; K451-L456 HydrophobicContact CG-CB 4.47Å; K451-L456 HydrophobicContact CG-CD1 3.77Å
457I87.5Confident87.7Confident14 Ų1425.4 Ų25.47%0.07214%0.135CC..EExtended strand (participates in β ladder)trans-89.4-50.7178.9-60.4179000110.1L450 L452 I455 N741 I744L450-I457 HydrophobicContact CD2-CB 4.47Å; L450-I457 HydrophobicContact CD2-CG2 4.44Å; L450-I457 HydrophobicContact CG-CB 4.44Å; L450-I457 PolarHBondContact O-N 2.59Å; L452-I457 HydrophobicContact CB-CD1 3.74Å; L452-I457 HydrophobicContact CB-CG1 4.33Å; I455-I457 PolarHBondContact O-N 2.99Å; I457-N741 HydrophobicContact CG2-CB 4.26Å; I457-I744 HydrophobicContact CD1-CD1 4.23Å; I457-I744 HydrophobicContact CD1-CG2 4.07Å; I457-I744 HydrophobicContact CG2-CG2 4.47Å
458S89.6Confident87.3Confident11 Ų1125.7 Ų25.78%0.07714%0.137CC..EExtended strand (participates in β ladder)trans-150.9153.4-178.268.80000112L450 H698 N745L450-S458 WeakPolarHBondContact CB-OG 3.37Å; L450-S458 PolarHBondContact N-O 3.43Å; L450-S458 PolarHBondContact O-N 3.43Å; S458-H698 PolarHBondContact OG-NE2 3.33Å; S458-N745 VanDerWaalsContact CB-OD1 3.24Å; S458-N745 WeakPolarHBondContact CB-OD1 3.32Å; S458-N745 PolarHBondContact OG-OD1 3.4Å
459R90.4Very high86.7Confident32 Ų3226.3 Ų26.312%0.12114%0.141CC..EExtended strand (participates in β ladder)trans-125.8136.3175.2-168.3-176-65.5153.8-6.3108.9I371 T374 T376 I447 S448I371-R459 WeakPolarHBondContact O-CD 3.13Å; T374-R459 PolarHBondContact O-NH1 2.79Å; T376-R459 PolarHBondContact O-NH1 3.36Å; T376-R459 PolarHBondContact O-NH2 2.88Å; T376-R459 VanDerWaalsContact O-NH2 3.1Å; I447-R459 HydrophobicContact CG2-CG 3.7Å; S448-R459 CarbonylContact O-C 3.56Å; S448-R459 WeakPolarHBondContact O-CA 3.33Å
460N90.1Very high86.3Confident26 Ų2626.2 Ų26.214%0.13914%0.14CC..EExtended strand (participates in β ladder)trans-126.6159.1173.1-161.411.9000110.7I447 S448 E695 H698I447-N460 WeakPolarHBondContact CA-O 3.44Å; S448-N460 PolarHBondContact N-O 2.78Å; S448-N460 PolarHBondContact O-N 3.46Å; N460-E695 WeakPolarHBondContact ND2-CA 3.37Å; N460-E695 WeakPolarHBondContact ND2-CG 3.45Å; N460-H698 HydrophobicContact CB-CB 4.27Å; N460-H698 WeakPolarHBondContact CB-ND1 3.43Å
461V89.5Confident86Confident3 Ų326.3 Ų26.32%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-139.8125.6-175.8-172.90000109.9I368 I371 K372 L445 L446 I447I368-V461 HydrophobicContact CG2-CB 4.49Å; I368-V461 HydrophobicContact CG2-CG1 4.37Å; I371-V461 HydrophobicContact CB-CG2 4.26Å; I371-V461 HydrophobicContact CG2-CG2 3.52Å; K372-V461 WeakPolarHBondContact CE-O 3.35Å; K372-V461 HydrophobicContact CG-CB 4.17Å; K372-V461 HydrophobicContact CG-CG2 3.9Å; K372-V461 PolarHBondContact NZ-O 3.43Å; K372-V461 VanDerWaalsContact NZ-O 3.08Å; L445-V461 HydrophobicContact CB-CG1 3.99Å; L445-V461 HydrophobicContact CD1-CG1 4.29Å; L445-V461 HydrophobicContact CD2-CG1 4.21Å; L445-V461 HydrophobicContact CG-CG1 4.39Å; L446-V461 WeakPolarHBondContact O-CA 3.15Å; I447-V461 HydrophobicContact CG1-CG1 4.4Å; I447-V461 HydrophobicContact CG1-CG2 4.21Å
462I87.1Confident85.9Confident5 Ų523.5 Ų23.53%0.02613%0.128CC..EExtended strand (participates in β ladder)trans-104.8122.4164.6-60.5160.6000107.1L446 L464 Y692 E695 L696L446-I462 HydrophobicContact CB-CB 4.25Å; L446-I462 HydrophobicContact CD2-CD1 3.92Å; L446-I462 PolarHBondContact N-O 2.83Å; L446-I462 PolarHBondContact O-N 2.97Å; I462-L464 HydrophobicContact CG2-CD2 4.04Å; I462-L464 PolarHBondContact O-N 3.09Å; I462-Y692 HydrophobicContact CG1-CD1 4.39Å; I462-Y692 HydrophobicContact CG2-CD1 4Å; I462-Y692 HydrophobicContact CG2-CE1 3.91Å; I462-E695 HydrophobicContact CD1-CB 3.53Å; I462-E695 HydrophobicContact CG1-CB 3.43Å; I462-E695 VanDerWaalsContact CG1-CB 3.43Å; I462-E695 HydrophobicContact CG1-CG 3.93Å; I462-L696 HydrophobicContact CD1-CD2 4.49Å
463N86.8Confident85.8Confident4 Ų424.1 Ų24.12%0.02113%0.13CC..EExtended strand (participates in β ladder)trans-85109.4169.8-175.8-10.3000108.2D443 L445 T465 E466 Y470D443-N463 PolarHBondContact OD2-ND2 3.14Å; L445-N463 HydrophobicContact CD2-CB 3.73Å; N463-T465 PolarHBondContact OD1-N 3.4Å; N463-T465 VanDerWaalsContact OD1-N 3.16Å; N463-T465 PolarHBondContact OD1-OG1 2.89Å; N463-E466 HydrophobicContact CB-CB 4.02Å; N463-E466 VanDerWaalsContact O-CB 3.31Å; N463-E466 WeakPolarHBondContact O-CB 3.38Å; N463-E466 PolarHBondContact OD1-N 3.36Å; N463-Y470 PolarHBondContact ND2-OH 3.43Å; N463-Y470 VanDerWaalsContact ND2-OH 3.12Å
464L85.8Confident85.8Confident4 Ų421.6 Ų21.62%0.02112%0.117CC..G310 helixtrans-72.2-36.6-176-65.1171.2000110.7F225 F230 L418 T444 L446 I462 E466 W688F225-L464 HydrophobicContact CE1-CD1 3.53Å; F225-L464 HydrophobicContact CE1-CD2 4.14Å; F225-L464 HydrophobicContact CE1-CG 4.45Å; F225-L464 HydrophobicContact CZ-CD1 3.67Å; F230-L464 HydrophobicContact CD2-CB 4.31Å; F230-L464 HydrophobicContact CE2-CB 4.09Å; F230-L464 WeakPolarHBondContact CE2-O 3.23Å; F230-L464 WeakPolarHBondContact CZ-O 3.48Å; L418-L464 HydrophobicContact CD2-CD1 3.44Å; L418-L464 VanDerWaalsContact CD2-CD1 3.44Å; T444-L464 HydrophobicContact CG2-CD1 4.19Å; T444-L464 PolarHBondContact O-N 2.98Å; L446-L464 HydrophobicContact CB-CD1 4.24Å; L446-L464 HydrophobicContact CB-CG 4.31Å; I462-L464 HydrophobicContact CG2-CD2 4.04Å; I462-L464 PolarHBondContact O-N 3.09Å; L464-E466 PolarHBondContact O-N 3.01Å; L464-W688 HydrophobicContact CD2-CZ2 4.19Å
465T86.5Confident85.8Confident0 Ų015.6 Ų15.60%08%0.08CC..G310 helixtrans-88.114.1-177.647.20000113.2F233 I328 C330 R332 D443 T444 N463 N467 I468F233-T465 HydrophobicContact CE1-CG2 4.09Å; I328-T465 HydrophobicContact CG2-CG2 4.04Å; C330-T465 HydrophobicContact CB-CG2 3.82Å; R332-T465 PolarHBondContact NH2-O 3.31Å; D443-T465 VanDerWaalsContact CA-OG1 3.3Å; D443-T465 WeakPolarHBondContact CA-OG1 3.36Å; D443-T465 WeakPolarHBondContact CB-OG1 3.26Å; D443-T465 VanDerWaalsContact CG-OG1 3.22Å; D443-T465 WeakPolarHBondContact OD1-CB 3.29Å; D443-T465 PolarHBondContact OD1-OG1 3.19Å; T444-T465 PolarHBondContact N-OG1 2.69Å; T444-T465 VanDerWaalsContact N-OG1 3.08Å; N463-T465 PolarHBondContact OD1-N 3.4Å; N463-T465 VanDerWaalsContact OD1-N 3.16Å; N463-T465 PolarHBondContact OD1-OG1 2.89Å; T465-N467 VanDerWaalsContact C-N 3.32Å; T465-N467 PolarHBondContact O-N 3.28Å; T465-I468 HydrophobicContact CG2-CD1 4.2Å; T465-I468 WeakPolarHBondContact O-CB 3.49Å; T465-I468 PolarHBondContact O-N 3.12Å
466E78.9Confident85.8Confident11 Ų1111.4 Ų11.45%0.0516%0.059CC..G310 helixtrans-59.6-36.7-180-179.4176.7-179.200113.6N463 L464 I468 Y470 N509 M510N463-E466 HydrophobicContact CB-CB 4.02Å; N463-E466 VanDerWaalsContact O-CB 3.31Å; N463-E466 WeakPolarHBondContact O-CB 3.38Å; N463-E466 PolarHBondContact OD1-N 3.36Å; L464-E466 PolarHBondContact O-N 3.01Å; E466-I468 PolarHBondContact O-N 3.27Å; E466-Y470 WeakPolarHBondContact CA-OH 3.19Å; E466-Y470 HydrophobicContact CG-CE2 4.4Å; E466-Y470 WeakPolarHBondContact O-CE2 3.2Å; E466-N509 HydrophobicContact CG-CB 3.9Å; E466-N509 VanDerWaalsContact OE1-CA 3.31Å; E466-N509 WeakPolarHBondContact OE1-CA 3.41Å; E466-N509 WeakPolarHBondContact OE1-CB 3.25Å; E466-M510 PolarHBondContact OE1-N 2.99Å
467N75.4Confident85.5Confident39 Ų3910.9 Ų10.921%0.2096%0.056CC..G310 helixtrans-73.6-13.5-178.6-70-22.3000113.3T465 Q682T465-N467 VanDerWaalsContact C-N 3.32Å; T465-N467 PolarHBondContact O-N 3.28Å; N467-Q682 PolarHBondContact ND2-OE1 2.99Å
468I83.2Confident85.3Confident8 Ų816.9 Ų16.94%0.0418%0.084CC..SBendtrans-77.1121.5174.7-64.5171.8000107.5F233 F237 C330 R332 T465 E466 Y470F233-I468 HydrophobicContact CD1-CD1 4.4Å; F233-I468 HydrophobicContact CE1-CD1 3.75Å; F237-I468 HydrophobicContact CB-CD1 4.17Å; F237-I468 HydrophobicContact CD1-CD1 4.33Å; F237-I468 HydrophobicContact CD1-CG1 4.41Å; F237-I468 HydrophobicContact CD1-CG2 3.5Å; F237-I468 HydrophobicContact CD2-CD1 3.92Å; F237-I468 HydrophobicContact CE1-CG2 3.29Å; F237-I468 HydrophobicContact CE2-CD1 4.37Å; F237-I468 HydrophobicContact CE2-CG2 4.38Å; F237-I468 HydrophobicContact CG-CD1 3.88Å; F237-I468 HydrophobicContact CG-CG1 4.35Å; F237-I468 HydrophobicContact CG-CG2 4.14Å; F237-I468 HydrophobicContact CZ-CG2 3.76Å; C330-I468 HydrophobicContact CB-CD1 3.84Å; C330-I468 VanDerWaalsContact SG-CD1 3.59Å; R332-I468 HydrophobicContact CG-CG2 4.22Å; T465-I468 HydrophobicContact CG2-CD1 4.2Å; T465-I468 WeakPolarHBondContact O-CB 3.49Å; T465-I468 PolarHBondContact O-N 3.12Å; E466-I468 PolarHBondContact O-N 3.27Å; I468-Y470 PolarHBondContact O-N 3.13Å
469P81.9Confident84.9Confident14 Ų1421.2 Ų21.29%0.09110%0.103CC..  trans-48.6125.8-174.8-29.134.6000111.7L241 Y334L241-P469 HydrophobicContact CD1-CG 4.18Å; Y334-P469 WeakPolarHBondContact CE1-O 3.36Å; Y334-P469 PolarHBondContact OH-O 3.44Å
470Y84.7Confident84.5Confident3 Ų320.6 Ų20.61%0.01210%0.103CC..SBendtrans-70.2-35.9-179.1-71.2-75000112.2Y357 F441 N463 E466 I468 P506 V507Y357-Y470 VanDerWaalsContact CE1-O 3.3Å; Y357-Y470 WeakPolarHBondContact CE1-O 2.96Å; Y357-Y470 PolarHBondContact OH-O 3.46Å; F441-Y470 AromaticContact CE2-CD1 3.51Å; F441-Y470 HydrophobicContact CE2-CD1 3.51Å; F441-Y470 AromaticContact CE2-CE1 3.8Å; F441-Y470 HydrophobicContact CE2-CE1 3.8Å; F441-Y470 AromaticContact CZ-CD1 3.81Å; F441-Y470 HydrophobicContact CZ-CD1 3.81Å; F441-Y470 AromaticContact CZ-CE1 3.57Å; F441-Y470 HydrophobicContact CZ-CE1 3.57Å; N463-Y470 PolarHBondContact ND2-OH 3.43Å; N463-Y470 VanDerWaalsContact ND2-OH 3.12Å; E466-Y470 WeakPolarHBondContact CA-OH 3.19Å; E466-Y470 HydrophobicContact CG-CE2 4.4Å; E466-Y470 WeakPolarHBondContact O-CE2 3.2Å; I468-Y470 PolarHBondContact O-N 3.13Å; Y470-P506 HydrophobicContact CD2-CB 3.96Å; Y470-P506 HydrophobicContact CD2-CG 3.18Å; Y470-P506 HydrophobicContact CE2-CG 3.88Å; Y470-P506 HydrophobicContact CG-CB 4.18Å; Y470-P506 HydrophobicContact CG-CG 3.84Å; Y470-V507 HydrophobicContact CD1-CG2 4.27Å; Y470-V507 HydrophobicContact CE1-CG2 4.17Å; Y470-V507 HydrophobicContact CG-CG2 4.47Å
471I85.6Confident84.1Confident2 Ų220.5 Ų20.51%0.0110%0.103CC..  trans-128.4144.8174.5-165.2166.7000108.8F335 I354 Y574 S577F335-I471 HydrophobicContact CD2-CD1 4.11Å; F335-I471 HydrophobicContact CD2-CG1 4.03Å; F335-I471 HydrophobicContact CE2-CD1 4.1Å; F335-I471 HydrophobicContact CE2-CG1 4.23Å; I354-I471 HydrophobicContact CG2-CD1 4.22Å; I471-Y574 HydrophobicContact CG2-CD2 3.64Å; I471-Y574 HydrophobicContact CG2-CE2 3.78Å; I471-Y574 HydrophobicContact CG2-CG 4.04Å; I471-Y574 WeakPolarHBondContact O-CE2 3.05Å; I471-S577 WeakPolarHBondContact CG2-OG 3.38Å
472C87.5Confident83.8Confident1 Ų125.7 Ų25.71%0.00713%0.125CC..  trans-136139.2167.6-71.90000106.7Y334 F335 W474 R530Y334-C472 HydrophobicContact CD1-CB 3.62Å; Y334-C472 HydrophobicContact CD2-CB 4.38Å; Y334-C472 HydrophobicContact CE1-CB 3.95Å; Y334-C472 HydrophobicContact CG-CB 3.82Å; F335-C472 PolarHBondContact N-O 3.06Å; C472-W474 HydrophobicContact CB-CE3 4.08Å; C472-W474 HydrophobicContact CB-CH2 3.33Å; C472-W474 HydrophobicContact CB-CZ2 4.05Å; C472-W474 HydrophobicContact CB-CZ3 3.34Å; C472-R530 HydrophobicContact CB-CB 4.21Å
473Y87.4Confident83.4Confident14 Ų1428.9 Ų28.96%0.05514%0.142CC..EExtended strand (participates in β ladder)trans-133.4108.6179.4-175.2-121.3000110F335 K337 L350 T475 R530 Y531 G532 S572 P573F335-Y473 HydrophobicContact CB-CD2 3.71Å; F335-Y473 HydrophobicContact CB-CE2 4.31Å; F335-Y473 WeakPolarHBondContact O-CA 2.96Å; K337-Y473 HydrophobicContact CB-CE2 4.12Å; K337-Y473 WeakPolarHBondContact CB-OH 3.11Å; K337-Y473 WeakPolarHBondContact CD-OH 3.14Å; L350-Y473 HydrophobicContact CD2-CE2 3.91Å; Y473-T475 HydrophobicContact CD1-CG2 3.51Å; Y473-T475 HydrophobicContact CE1-CG2 2.97Å; Y473-T475 HydrophobicContact CE2-CG2 4.23Å; Y473-T475 HydrophobicContact CG-CG2 4.35Å; Y473-R530 PolarHBondContact N-O 3.43Å; Y473-R530 CarbonylContact O-C 3.55Å; Y473-Y531 PolarHBondContact O-N 3Å; Y473-G532 PolarHBondContact O-N 3.36Å; Y473-S572 VanDerWaalsContact CD1-OG 3.29Å; Y473-S572 WeakPolarHBondContact CD1-OG 3.13Å; Y473-P573 HydrophobicContact CD1-CG 4.45Å; Y473-P573 HydrophobicContact CE1-CG 4.08Å; Y473-P573 HydrophobicContact CE2-CG 4.41Å
474W87.3Confident82.9Confident0 Ų028.8 Ų28.80%014%0.141CC..EExtended strand (participates in β ladder)trans-93.9127.1176.6-69.7-90.6000110.5L241 I244 D245 Y248 M317 Y334 F335 L336 K337 C472 K529 R530L241-W474 HydrophobicContact CD2-CH2 4.19Å; I244-W474 HydrophobicContact CB-CZ2 4.22Å; I244-W474 HydrophobicContact CG2-CD2 4.18Å; I244-W474 HydrophobicContact CG2-CH2 4.04Å; I244-W474 HydrophobicContact CG2-CZ2 3.62Å; I244-W474 HydrophobicContact CG2-CZ3 4.48Å; D245-W474 PolarHBondContact OD1-NE1 2.68Å; Y248-W474 AromaticContact CD1-CD1 3.83Å; Y248-W474 HydrophobicContact CD1-CG 4.4Å; Y248-W474 HydrophobicContact CD2-CB 3.74Å; Y248-W474 HydrophobicContact CD2-CG 4.37Å; Y248-W474 HydrophobicContact CE2-CB 3.94Å; Y248-W474 HydrophobicContact CG-CB 4.05Å; Y248-W474 HydrophobicContact CG-CG 4.18Å; M317-W474 HydrophobicContact CE-CE3 3.83Å; M317-W474 HydrophobicContact CE-CH2 3.43Å; M317-W474 VanDerWaalsContact CE-CH2 3.43Å; M317-W474 HydrophobicContact CE-CZ2 4.42Å; M317-W474 HydrophobicContact CE-CZ3 3.06Å; Y334-W474 HydrophobicContact CD2-CH2 4.11Å; Y334-W474 HydrophobicContact CD2-CZ3 4.23Å; Y334-W474 HydrophobicContact CG-CH2 4.36Å; Y334-W474 HydrophobicContact CG-CZ3 4.1Å; F335-W474 PolarHBondContact O-N 3.03Å; F335-W474 VanDerWaalsContact O-N 3.09Å; L336-W474 HydrophobicContact CD2-CB 4.06Å; L336-W474 HydrophobicContact CD2-CD2 4.23Å; L336-W474 HydrophobicContact CD2-CE3 3.9Å; L336-W474 HydrophobicContact CD2-CG 4.33Å; L336-W474 HydrophobicContact CG-CE3 4.4Å; K337-W474 PolarHBondContact N-O 2.78Å; C472-W474 HydrophobicContact CB-CE3 4.08Å; C472-W474 HydrophobicContact CB-CH2 3.33Å; C472-W474 HydrophobicContact CB-CZ2 4.05Å; C472-W474 HydrophobicContact CB-CZ3 3.34Å; W474-K529 VanDerWaalsContact CD1-O 3.24Å; W474-R530 HydrophobicContact CZ2-CG 3.95Å
475T84.7Confident82.6Confident8 Ų833.2 Ų33.25%0.04916%0.162CC..  trans-132.1161.1173.165.60000110.7Y248 K337 Y473 I477 G532Y248-T475 PolarHBondContact OH-O 2.94Å; K337-T475 HydrophobicContact CB-CG2 4.26Å; K337-T475 WeakPolarHBondContact O-CA 3.41Å; Y473-T475 HydrophobicContact CD1-CG2 3.51Å; Y473-T475 HydrophobicContact CE1-CG2 2.97Å; Y473-T475 HydrophobicContact CE2-CG2 4.23Å; Y473-T475 HydrophobicContact CG-CG2 4.35Å; T475-I477 VanDerWaalsContact C-N 3.28Å; T475-I477 PolarHBondContact O-N 2.72Å; T475-G532 WeakPolarHBondContact OG1-CA 3.06Å
476P83.8Confident82.1Confident5 Ų541 Ų413%0.03220%0.196CC..  trans-67.487.6167.128.7-36.5000109.8K337 I340 E478 E479 S480K337-P476 WeakPolarHBondContact O-CD 3.31Å; I340-P476 HydrophobicContact CD1-CG 4.34Å; I340-P476 HydrophobicContact CG1-CG 3.75Å; P476-E478 PolarHBondContact O-N 3.05Å; P476-E479 HydrophobicContact CB-CB 4.12Å; P476-E479 HydrophobicContact CB-CG 4.13Å; P476-E479 HydrophobicContact CG-CB 4.49Å; P476-E479 PolarHBondContact O-N 3.22Å; P476-S480 WeakPolarHBondContact O-CB 3.39Å; P476-S480 PolarHBondContact O-N 3.32Å; P476-S480 PolarHBondContact O-OG 3.29Å
477I82.7Confident81.8Confident24 Ų2443.4 Ų43.412%0.12321%0.211CC..Hα-helixtrans-59.2-46.1-174.8-66.5157.6000111.3T475 E479 S480 L481 Y527 K529 V533T475-I477 VanDerWaalsContact C-N 3.28Å; T475-I477 PolarHBondContact O-N 2.72Å; I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 2.97Å; I477-S480 PolarHBondContact O-N 3.2Å; I477-S480 VanDerWaalsContact O-N 3.16Å; I477-L481 HydrophobicContact CG2-CD1 3.51Å; I477-L481 HydrophobicContact CG2-CG 3.88Å; I477-L481 VanDerWaalsContact O-CB 3.3Å; I477-L481 WeakPolarHBondContact O-CB 2.98Å; I477-L481 WeakPolarHBondContact O-CG 3.33Å; I477-L481 PolarHBondContact O-N 3.4Å; I477-Y527 HydrophobicContact CG2-CD2 3.94Å; I477-K529 VanDerWaalsContact CD1-CA 3.42Å; I477-K529 HydrophobicContact CD1-CB 4.35Å; I477-K529 HydrophobicContact CD1-CG 4.11Å; I477-V533 HydrophobicContact CG2-CG2 4.25Å
478E82.9Confident81.5Confident140 Ų14042.3 Ų42.365%0.65421%0.205SC*.Hα-helixtrans-61.6-41.4-176.9-65.9-174.5-17200112.1P476 K482P476-E478 PolarHBondContact O-N 3.05Å; E478-K482 WeakPolarHBondContact O-CB 3.15Å; E478-K482 WeakPolarHBondContact O-CD 3.44Å; E478-K482 WeakPolarHBondContact O-CG 3.18Å; E478-K482 PolarHBondContact O-N 3.07Å
479E81.5Confident80.7Confident103 Ų10345.6 Ų45.648%0.48123%0.233SC..Hα-helixtrans-67.7-41.3175.8-60.9-178.8177.900111.2I340 P476 I477 K482 L483I340-E479 VanDerWaalsContact CD1-C 3.42Å; I340-E479 HydrophobicContact CD1-CB 3.44Å; I340-E479 VanDerWaalsContact CD1-CB 3.44Å; I340-E479 HydrophobicContact CG1-CB 4.37Å; P476-E479 HydrophobicContact CB-CB 4.12Å; P476-E479 HydrophobicContact CB-CG 4.13Å; P476-E479 HydrophobicContact CG-CB 4.49Å; P476-E479 PolarHBondContact O-N 3.22Å; I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 2.97Å; E479-K482 PolarHBondContact O-N 3.26Å; E479-L483 WeakPolarHBondContact O-CB 3.14Å; E479-L483 PolarHBondContact O-N 3.29Å
480S80.6Confident79.9Confident18 Ų1849.2 Ų49.213%0.12627%0.273CS..Hα-helixtrans-66.8-43.7-178.8-56.70000110.6I340 P476 I477 L483 T484I340-S480 VanDerWaalsContact CD1-N 3.32Å; I340-S480 WeakPolarHBondContact CD1-OG 3.48Å; P476-S480 WeakPolarHBondContact O-CB 3.39Å; P476-S480 PolarHBondContact O-N 3.32Å; P476-S480 PolarHBondContact O-OG 3.29Å; I477-S480 PolarHBondContact O-N 3.2Å; I477-S480 VanDerWaalsContact O-N 3.16Å; S480-L483 WeakPolarHBondContact O-CB 3.48Å; S480-L483 PolarHBondContact O-N 3.17Å; S480-T484 WeakPolarHBondContact O-CG2 3.4Å; S480-T484 PolarHBondContact O-N 3.37Å; S480-T484 PolarHBondContact O-OG1 2.87Å
481L82Confident79Confident24 Ų2456.4 Ų56.413%0.12630%0.304CS..Hα-helixtrans-62.6-49.1175-75.2177.3000110.7I477 L483 T484 E485 I525 Y527 V533I477-L481 HydrophobicContact CG2-CD1 3.51Å; I477-L481 HydrophobicContact CG2-CG 3.88Å; I477-L481 VanDerWaalsContact O-CB 3.3Å; I477-L481 WeakPolarHBondContact O-CB 2.98Å; I477-L481 WeakPolarHBondContact O-CG 3.33Å; I477-L481 PolarHBondContact O-N 3.4Å; L481-L483 PolarHBondContact O-N 3.17Å; L481-T484 VanDerWaalsContact CA-OG1 3.27Å; L481-T484 WeakPolarHBondContact CA-OG1 3.31Å; L481-T484 CarbonylContact O-C 3.42Å; L481-T484 PolarHBondContact O-N 3.48Å; L481-T484 VanDerWaalsContact O-N 3.11Å; L481-T484 PolarHBondContact O-OG1 3.08Å; L481-E485 WeakPolarHBondContact O-CB 3.32Å; L481-E485 WeakPolarHBondContact O-CG 3.37Å; L481-E485 PolarHBondContact O-N 3.24Å; L481-I525 HydrophobicContact CD2-CG2 4.42Å; L481-Y527 HydrophobicContact CD1-CD2 3.74Å; L481-Y527 HydrophobicContact CD1-CE2 3.75Å; L481-Y527 HydrophobicContact CD1-CG 4.19Å; L481-Y527 HydrophobicContact CD2-CD1 4.07Å; L481-Y527 HydrophobicContact CD2-CD2 4.39Å; L481-Y527 HydrophobicContact CD2-CG 3.99Å; L481-Y527 HydrophobicContact CG-CD2 4.5Å; L481-V533 HydrophobicContact CD2-CG1 4.11Å; L481-V533 HydrophobicContact CD2-CG2 4.22Å; L481-V533 HydrophobicContact CG-CG2 4.2Å
482K83Confident78.3Confident112 Ų11259.2 Ų59.249%0.48732%0.317SS..Hα-helixtrans-56.5-38.6175.5-76167.5-171.1166.40112.2E478 E479 K486E478-K482 WeakPolarHBondContact O-CB 3.15Å; E478-K482 WeakPolarHBondContact O-CD 3.44Å; E478-K482 WeakPolarHBondContact O-CG 3.18Å; E478-K482 PolarHBondContact O-N 3.07Å; E479-K482 PolarHBondContact O-N 3.26Å; K482-K486 WeakPolarHBondContact O-CB 3.49Å; K482-K486 WeakPolarHBondContact O-CG 3.38Å; K482-K486 PolarHBondContact O-N 3.19Å
483L78.9Confident77.9Confident72 Ų7266.9 Ų66.938%0.37735%0.35SS..Hα-helixtrans-67-48.2174.9-105.7155.3000111.8I340 E479 S480 L481 E485 K486 V487I340-L483 HydrophobicContact CB-CD1 4.49Å; I340-L483 HydrophobicContact CD1-CD1 3.73Å; I340-L483 HydrophobicContact CG2-CD1 3.9Å; E479-L483 WeakPolarHBondContact O-CB 3.14Å; E479-L483 PolarHBondContact O-N 3.29Å; S480-L483 WeakPolarHBondContact O-CB 3.48Å; S480-L483 PolarHBondContact O-N 3.17Å; L481-L483 PolarHBondContact O-N 3.17Å; L483-E485 PolarHBondContact O-N 3.11Å; L483-K486 PolarHBondContact O-N 3.27Å; L483-V487 VanDerWaalsContact O-CG2 3.3Å; L483-V487 WeakPolarHBondContact O-CG2 3.36Å; L483-V487 PolarHBondContact O-N 3.33Å
484T77.1Confident77.6Confident2 Ų268.9 Ų68.91%0.01237%0.366CS..Hα-helixtrans-61.8-42.6176.552.20000112S480 L481 V487 M488 V533 V535 F570S480-T484 WeakPolarHBondContact O-CG2 3.4Å; S480-T484 PolarHBondContact O-N 3.37Å; S480-T484 PolarHBondContact O-OG1 2.87Å; L481-T484 VanDerWaalsContact CA-OG1 3.27Å; L481-T484 WeakPolarHBondContact CA-OG1 3.31Å; L481-T484 CarbonylContact O-C 3.42Å; L481-T484 PolarHBondContact O-N 3.48Å; L481-T484 VanDerWaalsContact O-N 3.11Å; L481-T484 PolarHBondContact O-OG1 3.08Å; T484-V487 PolarHBondContact O-N 2.95Å; T484-M488 WeakPolarHBondContact O-CB 3.45Å; T484-M488 WeakPolarHBondContact O-CG 3.41Å; T484-M488 PolarHBondContact O-N 2.96Å; T484-V533 HydrophobicContact CG2-CG1 4.27Å; T484-V535 HydrophobicContact CG2-CG2 3.78Å; T484-F570 HydrophobicContact CG2-CB 4.47Å; T484-F570 HydrophobicContact CG2-CD1 3.34Å; T484-F570 HydrophobicContact CG2-CE1 3.66Å; T484-F570 HydrophobicContact CG2-CG 4Å
485E77.9Confident77.4Confident98 Ų9870.2 Ų70.246%0.45837%0.373SS..Hα-helixtrans-63.4-42.6176.1-75178.4170.700111.2L481 L483 V487 M488 A489L481-E485 WeakPolarHBondContact O-CB 3.32Å; L481-E485 WeakPolarHBondContact O-CG 3.37Å; L481-E485 PolarHBondContact O-N 3.24Å; L483-E485 PolarHBondContact O-N 3.11Å; E485-V487 VanDerWaalsContact C-N 3.33Å; E485-V487 PolarHBondContact O-N 2.99Å; E485-M488 CarbonylContact O-C 3.49Å; E485-M488 PolarHBondContact O-N 3.42Å; E485-A489 WeakPolarHBondContact O-CA 3.33Å; E485-A489 WeakPolarHBondContact O-CB 3.45Å; E485-A489 PolarHBondContact O-N 3.23Å
486K77.6Confident77.6Confident164 Ų16470.2 Ų70.271%0.71337%0.372SS*.Hα-helixtrans-60.5-40.7173.1-79.9174.4-178.3-178.30112.4K482 L483 M488K482-K486 WeakPolarHBondContact O-CB 3.49Å; K482-K486 WeakPolarHBondContact O-CG 3.38Å; K482-K486 PolarHBondContact O-N 3.19Å; L483-K486 PolarHBondContact O-N 3.27Å; K486-M488 VanDerWaalsContact C-N 3.26Å; K486-M488 PolarHBondContact O-N 3.02Å
487V71.4Confident77.6Confident60 Ų6074.3 Ų74.336%0.36439%0.394SS..Hα-helixtrans-68.5-28.2177.51720000111.9L483 T484 E485 K491 F570L483-V487 VanDerWaalsContact O-CG2 3.3Å; L483-V487 WeakPolarHBondContact O-CG2 3.36Å; L483-V487 PolarHBondContact O-N 3.33Å; T484-V487 PolarHBondContact O-N 2.95Å; E485-V487 VanDerWaalsContact C-N 3.33Å; E485-V487 PolarHBondContact O-N 2.99Å; V487-K491 PolarHBondContact O-NZ 3.46Å; V487-K491 VanDerWaalsContact O-NZ 3.16Å; V487-F570 HydrophobicContact CG2-CZ 4.22Å
488M70.6Confident77.6Confident16 Ų1674 Ų748%0.07940%0.397CS..Hα-helixtrans-93.8-19.9-179.3-68.8179.4-172.800114.3T484 E485 K486 G490 K491 Y520 I525 V535T484-M488 WeakPolarHBondContact O-CB 3.45Å; T484-M488 WeakPolarHBondContact O-CG 3.41Å; T484-M488 PolarHBondContact O-N 2.96Å; E485-M488 CarbonylContact O-C 3.49Å; E485-M488 PolarHBondContact O-N 3.42Å; K486-M488 VanDerWaalsContact C-N 3.26Å; K486-M488 PolarHBondContact O-N 3.02Å; M488-G490 PolarHBondContact O-N 2.79Å; M488-K491 PolarHBondContact O-N 2.67Å; M488-Y520 HydrophobicContact SD-CE2 4Å; M488-I525 HydrophobicContact CE-CD1 3.55Å; M488-I525 HydrophobicContact CE-CG1 3.94Å; M488-I525 HydrophobicContact SD-CD1 3.57Å; M488-I525 VanDerWaalsContact SD-CD1 3.57Å; M488-I525 HydrophobicContact SD-CG1 4.41Å; M488-V535 HydrophobicContact CE-CB 4.31Å; M488-V535 HydrophobicContact CE-CG1 3.5Å; M488-V535 HydrophobicContact CE-CG2 3.75Å
489A66Low77.6Confident78 Ų7872.5 Ų72.565%0.64539%0.39SS*.THydrogen-bonded Turntrans-54.9114.3-177.800000110.1E485E485-A489 WeakPolarHBondContact O-CA 3.33Å; E485-A489 WeakPolarHBondContact O-CB 3.45Å; E485-A489 PolarHBondContact O-N 3.23Å
490G65.4Low77.6Confident89 Ų8968 Ų6892%0.91837%0.369SS*.THydrogen-bonded Turntrans93-4.8-179.100000116.4M488M488-G490 PolarHBondContact O-N 2.79Å
491K64.9Low77.4Confident154 Ų15467.2 Ų67.267%0.6736%0.364SS*.THydrogen-bonded Turntrans-98.3-40.8-178.4-67179.7-177.1162.60114.2V487 M488V487-K491 PolarHBondContact O-NZ 3.46Å; V487-K491 VanDerWaalsContact O-NZ 3.16Å; M488-K491 PolarHBondContact O-N 2.67Å
492E71.6Confident77.3Confident62 Ų6266.1 Ų66.129%0.2936%0.358SS..  trans-144.7148.2-177.8-68.2-172-179.600111.5Y520E492-Y520 HydrophobicContact CB-CD1 3.91Å; E492-Y520 WeakPolarHBondContact OE2-CB 3.36Å
493K78.8Confident76.7Confident161 Ų16160.9 Ų60.970%0.734%0.335SS*.  trans-88.3132.4173.8-173.5-177.6178.6-175.60109.9L495 H521K493-L495 PolarHBondContact O-N 3.31Å; K493-H521 PolarHBondContact O-ND1 3.29Å
494C81.7Confident76.2Confident57 Ų5757.5 Ų57.539%0.38532%0.318SS..  trans-63.7124.4170.7176.30000110L496 I518 Y520C494-L496 PolarHBondContact SG-O 2.97Å; C494-I518 VanDerWaalsContact SG-CG2 3.53Å; C494-Y520 HydrophobicContact CB-CD1 4.4Å; C494-Y520 HydrophobicContact CB-CE1 3.92Å
495L83.4Confident75.5Confident27 Ų2757.9 Ų57.914%0.14132%0.32CS..  trans-90.8-32.9179.2-59.7178.3000111.6K493 C519 Y520 V610 V613K493-L495 PolarHBondContact O-N 3.31Å; L495-C519 WeakPolarHBondContact CA-O 3.26Å; L495-C519 WeakPolarHBondContact CB-O 3.44Å; L495-C519 PolarHBondContact N-O 3.04Å; L495-Y520 WeakPolarHBondContact CD1-O 3.48Å; L495-V610 HydrophobicContact CB-CG2 4.04Å; L495-V613 HydrophobicContact CD1-CB 3.96Å; L495-V613 HydrophobicContact CD1-CG1 3.92Å; L495-V613 HydrophobicContact CD1-CG2 4.15Å; L495-V613 HydrophobicContact CD2-CG2 4.09Å
496L87.2Confident74.6Confident8 Ų853.4 Ų53.44%0.04230%0.299CS..EExtended strand (participates in β ladder)trans-159.9147-175.3175.5152.1000110.7C494 I518 C519 M602 L605 L606 V610C494-L496 PolarHBondContact SG-O 2.97Å; L496-I518 CarbonylContact O-C 3.58Å; L496-I518 VanDerWaalsContact O-CA 3.28Å; L496-I518 WeakPolarHBondContact O-CA 3.47Å; L496-I518 WeakPolarHBondContact O-CG2 3.41Å; L496-C519 HydrophobicContact CB-CB 4.17Å; L496-C519 PolarHBondContact N-O 3.14Å; L496-C519 PolarHBondContact O-N 3Å; L496-M602 HydrophobicContact CD1-CE 3.69Å; L496-M602 HydrophobicContact CD1-SD 3.72Å; L496-M602 HydrophobicContact CD2-CE 3.07Å; L496-M602 HydrophobicContact CD2-SD 3.54Å; L496-M602 VanDerWaalsContact CD2-SD 3.54Å; L496-M602 HydrophobicContact CG-CE 3.98Å; L496-M602 HydrophobicContact CG-SD 4.03Å; L496-L605 HydrophobicContact CD1-CB 3.41Å; L496-L605 VanDerWaalsContact CD1-CB 3.41Å; L496-L605 HydrophobicContact CG-CB 4.31Å; L496-L606 HydrophobicContact CD1-CD2 4.05Å; L496-L606 HydrophobicContact CD1-CG 3.94Å; L496-V610 HydrophobicContact CB-CG2 3.49Å; L496-V610 VanDerWaalsContact CB-CG2 3.49Å; L496-V610 HydrophobicContact CD1-CG2 3.81Å; L496-V610 HydrophobicContact CG-CG2 4.26Å
497N84.9Confident73.3Confident91 Ų9146 Ų4649%0.48727%0.268SS..EExtended strand (participates in β ladder)trans-137.5123.8166-177.18.6000108.7C517 I518 Y527N497-C517 WeakPolarHBondContact CA-O 3.42Å; N497-I518 HydrophobicContact CB-CG1 4.4Å; N497-Y527 PolarHBondContact OD1-OH 3.24Å
498G82.6Confident72.5Confident18 Ų1845.7 Ų45.719%0.18628%0.277CS..EExtended strand (participates in β ladder)trans-177.2173.4179.500000113.7C517G498-C517 PolarHBondContact N-O 3.18Å; G498-C517 PolarHBondContact O-N 2.75Å
499E82.1Confident71.9Confident109 Ų10946 Ų4651%0.50928%0.279SS..EExtended strand (participates in β ladder)trans-88.2138.8-179.5-70.6174.7166.800111.9L514 I515 N516E499-L514 HydrophobicContact CB-CD2 4.45Å; E499-L514 HydrophobicContact CB-CG 4.42Å; E499-L514 HydrophobicContact CG-CD2 4.3Å; E499-I515 CarbonylContact C-O 3.47Å; E499-I515 WeakPolarHBondContact CA-O 3.39Å; E499-N516 WeakPolarHBondContact CG-OD1 3.48Å
500L82.2Confident71.9Confident7 Ų742.7 Ų42.74%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-131.2161.1173-75.8175.9000110I515 C517 L594 V596 M602 L606L500-I515 PolarHBondContact N-O 2.94Å; L500-I515 PolarHBondContact O-N 2.83Å; L500-I515 VanDerWaalsContact O-O 3.1Å; L500-C517 HydrophobicContact CD1-CB 3.92Å; L500-C517 HydrophobicContact CG-CB 4.37Å; L500-L594 HydrophobicContact CD1-CD1 4.06Å; L500-V596 HydrophobicContact CD2-CG2 3.92Å; L500-M602 HydrophobicContact CD1-CE 3.62Å; L500-M602 HydrophobicContact CD2-CB 4.49Å; L500-M602 HydrophobicContact CD2-CE 3.92Å; L500-M602 HydrophobicContact CD2-CG 3.42Å; L500-M602 VanDerWaalsContact CD2-CG 3.42Å; L500-M602 HydrophobicContact CG-CE 3.59Å; L500-M602 HydrophobicContact CG-CG 3.93Å; L500-M602 HydrophobicContact CG-SD 4.49Å; L500-L606 HydrophobicContact CD2-CD1 4.37Å
501E77.1Confident72Confident3 Ų338.7 Ų38.71%0.01421%0.208CC..EExtended strand (participates in β ladder)trans-93.6127.6167.4-74177.3-179.100108.6S513 L514 L594 I595 K597 S638 H681E501-S513 WeakPolarHBondContact CA-O 3.21Å; E501-L514 HydrophobicContact CG-CD1 4.2Å; E501-L594 WeakPolarHBondContact O-CA 3.47Å; E501-I595 HydrophobicContact CB-CB 4.08Å; E501-I595 PolarHBondContact O-N 3.21Å; E501-K597 WeakPolarHBondContact OE1-CE 3.4Å; E501-K597 IonicContact OE1-NZ 3.24Å; E501-K597 PolarHBondContact OE1-NZ 3.41Å; E501-S638 WeakPolarHBondContact OE2-CB 3.41Å; E501-S638 PolarHBondContact OE2-OG 3.19Å; E501-H681 IonicContact OE1-CE1 2.91Å; E501-H681 PolarHBondContact OE1-CE1 2.89Å; E501-H681 IonicContact OE1-ND1 3.43Å
502I78.7Confident72.3Confident0 Ų032.4 Ų32.40%018%0.181CC..EExtended strand (participates in β ladder)trans-97.5133.5171.6-175.4164.2000109T504 S513 I515 L526 Y531 I592 L594I502-T504 HydrophobicContact CG1-CG2 4.41Å; I502-T504 HydrophobicContact CG2-CG2 4.04Å; I502-T504 PolarHBondContact O-N 2.81Å; I502-S513 WeakPolarHBondContact CG2-O 3.13Å; I502-S513 PolarHBondContact N-O 3.31Å; I502-S513 PolarHBondContact O-N 3.39Å; I502-I515 HydrophobicContact CB-CG2 3.97Å; I502-I515 HydrophobicContact CG2-CB 4.17Å; I502-I515 HydrophobicContact CG2-CD1 4.48Å; I502-I515 HydrophobicContact CG2-CG2 3.94Å; I502-L526 HydrophobicContact CD1-CD1 4.28Å; I502-Y531 HydrophobicContact CD1-CE2 4.41Å; I502-I592 HydrophobicContact CD1-CG2 3.51Å; I502-I592 HydrophobicContact CG1-CG2 3.93Å; I502-L594 HydrophobicContact CB-CD2 3.9Å; I502-L594 HydrophobicContact CD1-CD2 4.22Å; I502-L594 HydrophobicContact CG1-CD2 3.94Å
503V70.5Confident72.5Confident2 Ų230.5 Ų30.51%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-82.8111.9168.7-1720000107V505 M510 L512 W593 I595 A634V503-V505 HydrophobicContact CG1-CG2 3.86Å; V503-M510 HydrophobicContact CG1-CG 3.86Å; V503-L512 HydrophobicContact CG2-CD2 4.38Å; V503-W593 HydrophobicContact CB-CB 3.98Å; V503-W593 HydrophobicContact CG2-CB 4.14Å; V503-W593 PolarHBondContact N-O 2.92Å; V503-I595 HydrophobicContact CG2-CD1 3.69Å; V503-I595 HydrophobicContact CG2-CG1 3.53Å; V503-A634 HydrophobicContact CB-CB 4.21Å; V503-A634 HydrophobicContact CG1-CB 3.64Å; V503-A634 HydrophobicContact CG2-CB 3.5Å; V503-A634 VanDerWaalsContact CG2-CB 3.5Å
504T67.6Low72.5Confident2 Ų226.9 Ų26.91%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-97.3131.1170.970.60000107.5I502 P506 M510 C511 Y574 T578I502-T504 HydrophobicContact CG1-CG2 4.41Å; I502-T504 HydrophobicContact CG2-CG2 4.04Å; I502-T504 PolarHBondContact O-N 2.81Å; T504-P506 WeakPolarHBondContact O-CD 3.28Å; T504-M510 WeakPolarHBondContact O-CA 3.39Å; T504-C511 PolarHBondContact N-O 3.12Å; T504-C511 PolarHBondContact O-N 3.18Å; T504-C511 VanDerWaalsContact OG1-CB 3.27Å; T504-C511 WeakPolarHBondContact OG1-CB 3.44Å; T504-C511 PolarHBondContact OG1-O 3.21Å; T504-Y574 HydrophobicContact CG2-CE1 3.92Å; T504-T578 HydrophobicContact CG2-CG2 3.5Å; T504-T578 VanDerWaalsContact CG2-CG2 3.5Å
505V63.6Low72.6Confident9 Ų924.3 Ų24.36%0.05515%0.145CC..  trans-121.754.7175.2-164.50000110.9V503 V507 G508 N509 L580 C630V503-V505 HydrophobicContact CG1-CG2 3.86Å; V505-V507 PolarHBondContact O-N 3.04Å; V505-G508 VanDerWaalsContact CG1-C 3.42Å; V505-N509 CarbonylContact C-O 3.56Å; V505-N509 VanDerWaalsContact CA-O 3.26Å; V505-N509 WeakPolarHBondContact CA-O 3.48Å; V505-L580 HydrophobicContact CB-CD1 4.36Å; V505-L580 HydrophobicContact CB-CD2 3.74Å; V505-L580 HydrophobicContact CB-CG 4.21Å; V505-L580 HydrophobicContact CG1-CD2 4Å; V505-L580 HydrophobicContact CG2-CD1 3.92Å; V505-L580 HydrophobicContact CG2-CD2 4.19Å; V505-L580 HydrophobicContact CG2-CG 4.3Å; V505-C630 HydrophobicContact CG1-CB 4.17Å; V505-C630 HydrophobicContact CG2-CB 3.78Å
506P58.4Low72.9Confident5 Ų524.9 Ų24.93%0.03215%0.148CC..G310 helixtrans-60.2137.4166.330.9-35.3000107.1I361 Y470 T504 G508 N509 S577I361-P506 HydrophobicContact CG2-CB 3.95Å; Y470-P506 HydrophobicContact CD2-CB 3.96Å; Y470-P506 HydrophobicContact CD2-CG 3.18Å; Y470-P506 HydrophobicContact CE2-CG 3.88Å; Y470-P506 HydrophobicContact CG-CB 4.18Å; Y470-P506 HydrophobicContact CG-CG 3.84Å; T504-P506 WeakPolarHBondContact O-CD 3.28Å; P506-G508 VanDerWaalsContact C-N 3.29Å; P506-G508 PolarHBondContact O-N 3.12Å; P506-N509 PolarHBondContact O-N 3.18Å; P506-S577 WeakPolarHBondContact CA-O 3.15Å
507V51.3Low72.9Confident8 Ų824.5 Ų24.55%0.04815%0.147CC..G310 helixtrans73.411.8171.8-157.60000115I361 V364 A365 Y470 V505 N509I361-V507 HydrophobicContact CB-CG2 4.24Å; I361-V507 HydrophobicContact CG2-CB 4.45Å; I361-V507 HydrophobicContact CG2-CG2 3.29Å; V364-V507 HydrophobicContact CB-CG1 3.98Å; V364-V507 HydrophobicContact CG1-CG1 3.81Å; A365-V507 VanDerWaalsContact CB-C 3.47Å; A365-V507 VanDerWaalsContact CB-CA 3.45Å; A365-V507 HydrophobicContact CB-CB 4.01Å; A365-V507 HydrophobicContact CB-CG1 3.48Å; A365-V507 VanDerWaalsContact CB-CG1 3.48Å; A365-V507 VanDerWaalsContact CB-O 3.23Å; A365-V507 WeakPolarHBondContact CB-O 3.26Å; Y470-V507 HydrophobicContact CD1-CG2 4.27Å; Y470-V507 HydrophobicContact CE1-CG2 4.17Å; Y470-V507 HydrophobicContact CG-CG2 4.47Å; V505-V507 PolarHBondContact O-N 3.04Å; V507-N509 HydrophobicContact CB-CB 4.42Å; V507-N509 PolarHBondContact O-N 3.07Å
508G54.6Low73Confident53 Ų5320.5 Ų20.555%0.54613%0.125SC..G310 helixtrans71.77.1-171.100000113.6V505 P506V505-G508 VanDerWaalsContact CG1-C 3.42Å; P506-G508 VanDerWaalsContact C-N 3.29Å; P506-G508 PolarHBondContact O-N 3.12Å
509N57.5Low73.2Confident23 Ų2319.7 Ų19.712%0.12312%0.117CC..  trans-117.2142.3-175.3-90.24.4000109.6E466 V505 P506 V507E466-N509 HydrophobicContact CG-CB 3.9Å; E466-N509 VanDerWaalsContact OE1-CA 3.31Å; E466-N509 WeakPolarHBondContact OE1-CA 3.41Å; E466-N509 WeakPolarHBondContact OE1-CB 3.25Å; V505-N509 CarbonylContact C-O 3.56Å; V505-N509 VanDerWaalsContact CA-O 3.26Å; V505-N509 WeakPolarHBondContact CA-O 3.48Å; P506-N509 PolarHBondContact O-N 3.18Å; V507-N509 HydrophobicContact CB-CB 4.42Å; V507-N509 PolarHBondContact O-N 3.07Å
510M65.4Low73.4Confident9 Ų915.4 Ų15.44%0.04410%0.096CC..  trans-98.8124.3-162.6-178.9-13681.100111.5E466 V503 T504 L512 K633 A634 I637E466-M510 PolarHBondContact OE1-N 2.99Å; V503-M510 HydrophobicContact CG1-CG 3.86Å; T504-M510 WeakPolarHBondContact O-CA 3.39Å; M510-L512 HydrophobicContact CE-CG 4.07Å; M510-K633 HydrophobicContact SD-CB 4.5Å; M510-K633 HydrophobicContact SD-CG 4.41Å; M510-A634 HydrophobicContact CG-CB 3.77Å; M510-A634 WeakPolarHBondContact SD-CA 3.37Å; M510-A634 HydrophobicContact SD-CB 3.29Å; M510-A634 WeakPolarHBondContact SD-CB 3.09Å; M510-A634 PolarHBondContact SD-N 3.25Å; M510-I637 HydrophobicContact CE-CB 4.39Å; M510-I637 HydrophobicContact CE-CD1 3.28Å; M510-I637 HydrophobicContact CE-CG1 4.38Å; M510-I637 HydrophobicContact CE-CG2 4.43Å; M510-I637 HydrophobicContact SD-CD1 3.69Å
511C67.7Low73.5Confident4 Ų418.2 Ų18.23%0.02711%0.109CC..EExtended strand (participates in β ladder)trans-124.9131.4171.6175.80000110.1T504T504-C511 PolarHBondContact N-O 3.12Å; T504-C511 PolarHBondContact O-N 3.18Å; T504-C511 VanDerWaalsContact OG1-CB 3.27Å; T504-C511 WeakPolarHBondContact OG1-CB 3.44Å; T504-C511 PolarHBondContact OG1-O 3.21Å
512L71.4Confident73.6Confident22 Ų2222 Ų2212%0.11513%0.129CC..EExtended strand (participates in β ladder)trans-89.8132.5174.7-67.9174.9000109.2V503 M510 I595 A634 I637 L641V503-L512 HydrophobicContact CG2-CD2 4.38Å; M510-L512 HydrophobicContact CE-CG 4.07Å; L512-I595 HydrophobicContact CD2-CD1 3.5Å; L512-A634 HydrophobicContact CD2-CB 4.03Å; L512-I637 HydrophobicContact CD1-CB 4.4Å; L512-I637 HydrophobicContact CD1-CG2 3.86Å; L512-L641 HydrophobicContact CD1-CD1 4.48Å
513S74.9Confident73.9Confident23 Ų2325.3 Ų25.316%0.16114%0.141CC..EExtended strand (participates in β ladder)trans-132.1137.6172.9-70.60000110E501 I502 Y574E501-S513 WeakPolarHBondContact CA-O 3.21Å; I502-S513 WeakPolarHBondContact CG2-O 3.13Å; I502-S513 PolarHBondContact N-O 3.31Å; I502-S513 PolarHBondContact O-N 3.39Å; S513-Y574 PolarHBondContact OG-OH 3.41Å
514L79.8Confident74.7Confident84 Ų8425.3 Ų25.344%0.4414%0.141SC..EExtended strand (participates in β ladder)trans-77.2130.9171.7-160.289.5000109E499 E501E499-L514 HydrophobicContact CB-CD2 4.45Å; E499-L514 HydrophobicContact CB-CG 4.42Å; E499-L514 HydrophobicContact CG-CD2 4.3Å; E501-L514 HydrophobicContact CG-CD1 4.2Å
515I83.7Confident75.6Confident4 Ų425.2 Ų25.22%0.02114%0.141CC..EExtended strand (participates in β ladder)trans-138142.6-179.1-163162.3000111E499 L500 I502 L526 Y527 Y531E499-I515 CarbonylContact C-O 3.47Å; E499-I515 WeakPolarHBondContact CA-O 3.39Å; L500-I515 PolarHBondContact N-O 2.94Å; L500-I515 PolarHBondContact O-N 2.83Å; L500-I515 VanDerWaalsContact O-O 3.1Å; I502-I515 HydrophobicContact CB-CG2 3.97Å; I502-I515 HydrophobicContact CG2-CB 4.17Å; I502-I515 HydrophobicContact CG2-CD1 4.48Å; I502-I515 HydrophobicContact CG2-CG2 3.94Å; I515-L526 HydrophobicContact CD1-CB 3.71Å; I515-L526 HydrophobicContact CG1-CB 4.35Å; I515-Y527 WeakPolarHBondContact CG1-O 3.44Å; I515-Y531 HydrophobicContact CD1-CD1 3.54Å; I515-Y531 HydrophobicContact CD1-CD2 3.34Å; I515-Y531 HydrophobicContact CD1-CE1 3.61Å; I515-Y531 HydrophobicContact CD1-CE2 3.4Å; I515-Y531 VanDerWaalsContact CD1-CE2 3.4Å; I515-Y531 HydrophobicContact CD1-CG 3.41Å; I515-Y531 VanDerWaalsContact CD1-CG 3.41Å; I515-Y531 HydrophobicContact CG1-CD1 4.47Å; I515-Y531 HydrophobicContact CG1-CG 4.34Å
516N88.7Confident76.8Confident38 Ų3824.8 Ų24.820%0.20314%0.138CC..EExtended strand (participates in β ladder)trans-80.9137.6169.7-71.1-65.9000110E499 L526 Y527E499-N516 WeakPolarHBondContact CG-OD1 3.48Å; N516-L526 CarbonylContact O-C 3.6Å; N516-L526 WeakPolarHBondContact O-CA 3.3Å; N516-Y527 HydrophobicContact CB-CD1 3.68Å; N516-Y527 HydrophobicContact CB-CD2 3.86Å; N516-Y527 HydrophobicContact CB-CE1 3.26Å; N516-Y527 HydrophobicContact CB-CE2 3.5Å; N516-Y527 VanDerWaalsContact CB-CE2 3.5Å; N516-Y527 HydrophobicContact CB-CG 3.96Å; N516-Y527 WeakPolarHBondContact CB-O 3.49Å; N516-Y527 PolarHBondContact N-O 2.96Å; N516-Y527 PolarHBondContact O-N 2.94Å
517C88.4Confident78.2Confident1 Ų126.1 Ų26.11%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-127124.9-177.4-177.50000109.9N497 G498 L500 C519 I524 I525 L526N497-C517 WeakPolarHBondContact CA-O 3.42Å; G498-C517 PolarHBondContact N-O 3.18Å; G498-C517 PolarHBondContact O-N 2.75Å; L500-C517 HydrophobicContact CD1-CB 3.92Å; L500-C517 HydrophobicContact CG-CB 4.37Å; C517-C519 VanDerWaalsContact SG-SG 3.65Å; C517-I524 VanDerWaalsContact SG-CG2 3.6Å; C517-I525 CarbonylContact C-O 3.58Å; C517-I525 WeakPolarHBondContact CA-O 3.49Å; C517-L526 HydrophobicContact CB-CD2 3.96Å
518I87.5Confident79.9Confident7 Ų726.1 Ų26.14%0.03614%0.144CC..EExtended strand (participates in β ladder)trans-110.8115.5169.9-49177.1000107.9C494 L496 N497 Y520 I524 I525 Y527C494-I518 VanDerWaalsContact SG-CG2 3.53Å; L496-I518 CarbonylContact O-C 3.58Å; L496-I518 VanDerWaalsContact O-CA 3.28Å; L496-I518 WeakPolarHBondContact O-CA 3.47Å; L496-I518 WeakPolarHBondContact O-CG2 3.41Å; N497-I518 HydrophobicContact CB-CG1 4.4Å; I518-Y520 HydrophobicContact CB-CE2 4.08Å; I518-Y520 HydrophobicContact CG2-CD2 4.07Å; I518-Y520 HydrophobicContact CG2-CE2 3.38Å; I518-I524 WeakPolarHBondContact O-CA 3.5Å; I518-I525 HydrophobicContact CB-CB 4.11Å; I518-I525 PolarHBondContact N-O 3.09Å; I518-I525 PolarHBondContact O-N 3.3Å; I518-Y527 HydrophobicContact CD1-CD1 4.3Å; I518-Y527 HydrophobicContact CD1-CE1 3.69Å; I518-Y527 HydrophobicContact CG1-CD1 4.32Å; I518-Y527 HydrophobicContact CG1-CE1 3.67Å
519C87Confident81.2Confident1 Ų130.2 Ų30.21%0.00715%0.147CC..EExtended strand (participates in β ladder)trans-95129.6177.1-57.70000110.3L495 L496 C517 V610 W614L495-C519 WeakPolarHBondContact CA-O 3.26Å; L495-C519 WeakPolarHBondContact CB-O 3.44Å; L495-C519 PolarHBondContact N-O 3.04Å; L496-C519 HydrophobicContact CB-CB 4.17Å; L496-C519 PolarHBondContact N-O 3.14Å; L496-C519 PolarHBondContact O-N 3Å; C517-C519 VanDerWaalsContact SG-SG 3.65Å; C519-V610 HydrophobicContact CB-CG1 3.97Å; C519-V610 HydrophobicContact CB-CG2 3.98Å; C519-W614 HydrophobicContact CB-CH2 4.38Å; C519-W614 HydrophobicContact CB-CZ2 3.9Å
520Y86.4Confident82.5Confident18 Ų1831 Ų317%0.07115%0.149CC..  trans-112.7-172.8167.7-64-96.1000110M488 E492 C494 L495 I518 R523 I525 W614M488-Y520 HydrophobicContact SD-CE2 4Å; E492-Y520 HydrophobicContact CB-CD1 3.91Å; E492-Y520 WeakPolarHBondContact OE2-CB 3.36Å; C494-Y520 HydrophobicContact CB-CD1 4.4Å; C494-Y520 HydrophobicContact CB-CE1 3.92Å; L495-Y520 WeakPolarHBondContact CD1-O 3.48Å; I518-Y520 HydrophobicContact CB-CE2 4.08Å; I518-Y520 HydrophobicContact CG2-CD2 4.07Å; I518-Y520 HydrophobicContact CG2-CE2 3.38Å; Y520-R523 WeakPolarHBondContact CA-O 3.29Å; Y520-R523 WeakPolarHBondContact CB-O 3.24Å; Y520-R523 PolarHBondContact N-O 3.28Å; Y520-I525 HydrophobicContact CD2-CD1 4.45Å; Y520-I525 HydrophobicContact CD2-CG1 4.29Å; Y520-I525 HydrophobicContact CE2-CD1 3.54Å; Y520-I525 HydrophobicContact CE2-CG1 3.81Å; Y520-W614 PolarHBondContact O-NE1 2.69Å; Y520-W614 VanDerWaalsContact O-NE1 3.08Å
521H82.7Confident83.4Confident67 Ų6731 Ų3131%0.3115%0.148SC..SBendtrans-63.6-48.7-176.2-73.167.1000111.6K493 W614K493-H521 PolarHBondContact O-ND1 3.29Å; H521-W614 VanDerWaalsContact O-CD1 3.26Å; H521-W614 PolarHBondContact O-NE1 3.44Å
522N81Confident84.1Confident81 Ų8130.9 Ų30.943%0.43315%0.147SC..SBendtrans-1233.5-178.8-66.1-12.9000113.1
523R84.6Confident84.8Confident71 Ų7130.5 Ų30.527%0.26815%0.145SC..  trans-130.7150.3-174.4-52.1-165.7167-171.3-5.8112.3Y520 L536 E537Y520-R523 WeakPolarHBondContact CA-O 3.29Å; Y520-R523 WeakPolarHBondContact CB-O 3.24Å; Y520-R523 PolarHBondContact N-O 3.28Å; R523-L536 CarbonylContact C-O 3.59Å; R523-L536 VanDerWaalsContact CA-O 3.27Å; R523-L536 WeakPolarHBondContact CA-O 3.27Å; R523-E537 HydrophobicContact CG-CG 4.09Å; R523-E537 IonicContact CZ-OE1 2.97Å; R523-E537 IonicContact NE-OE1 3.35Å; R523-E537 PolarHBondContact NE-OE1 3.27Å; R523-E537 IonicContact NH2-OE1 2.88Å; R523-E537 PolarHBondContact NH2-OE1 3.42Å
524I87.3Confident85.3Confident1 Ų129.4 Ų29.41%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-126.9126.2172.7-59.3174.5000107.5C517 I518 L526 L536 P538 I541 L557 W614C517-I524 VanDerWaalsContact SG-CG2 3.6Å; I518-I524 WeakPolarHBondContact O-CA 3.5Å; I524-L526 HydrophobicContact CG2-CD2 3.77Å; I524-L526 HydrophobicContact CG2-CG 4.09Å; I524-L536 PolarHBondContact N-O 3.04Å; I524-L536 PolarHBondContact O-N 2.52Å; I524-P538 HydrophobicContact CD1-CG 4Å; I524-P538 HydrophobicContact CG1-CG 4.44Å; I524-I541 HydrophobicContact CD1-CD1 4.21Å; I524-L557 HydrophobicContact CD1-CD1 3.79Å; I524-L557 HydrophobicContact CD1-CD2 3.5Å; I524-L557 VanDerWaalsContact CD1-CD2 3.5Å; I524-L557 HydrophobicContact CD1-CG 4.3Å; I524-W614 HydrophobicContact CD1-CH2 3.65Å; I524-W614 HydrophobicContact CD1-CZ2 3.84Å; I524-W614 HydrophobicContact CG1-CH2 4.11Å; I524-W614 HydrophobicContact CG1-CZ2 3.85Å
525I87Confident85.5Confident1 Ų126.3 Ų26.31%0.00512%0.122CC..EExtended strand (participates in β ladder)trans-100.3121.4169.6-48.6-178.4000108.2L481 M488 C517 I518 Y520 Y527 V533 S534 V535L481-I525 HydrophobicContact CD2-CG2 4.42Å; M488-I525 HydrophobicContact CE-CD1 3.55Å; M488-I525 HydrophobicContact CE-CG1 3.94Å; M488-I525 HydrophobicContact SD-CD1 3.57Å; M488-I525 VanDerWaalsContact SD-CD1 3.57Å; M488-I525 HydrophobicContact SD-CG1 4.41Å; C517-I525 CarbonylContact C-O 3.58Å; C517-I525 WeakPolarHBondContact CA-O 3.49Å; I518-I525 HydrophobicContact CB-CB 4.11Å; I518-I525 PolarHBondContact N-O 3.09Å; I518-I525 PolarHBondContact O-N 3.3Å; Y520-I525 HydrophobicContact CD2-CD1 4.45Å; Y520-I525 HydrophobicContact CD2-CG1 4.29Å; Y520-I525 HydrophobicContact CE2-CD1 3.54Å; Y520-I525 HydrophobicContact CE2-CG1 3.81Å; I525-Y527 HydrophobicContact CG2-CD1 4.47Å; I525-V533 HydrophobicContact CG2-CG1 3.92Å; I525-S534 CarbonylContact C-O 3.54Å; I525-S534 VanDerWaalsContact CA-O 3.29Å; I525-S534 WeakPolarHBondContact CA-O 3.4Å; I525-V535 HydrophobicContact CG1-CG2 4.23Å; I525-V535 HydrophobicContact CG2-CG2 4.42Å
526L88.1Confident85.7Confident0 Ų026.1 Ų26.10%012%0.122CC..EExtended strand (participates in β ladder)trans-105.9126.3172.3-61.9-176.6000108.8I502 I515 N516 C517 I524 Y531 S534 L536I502-L526 HydrophobicContact CD1-CD1 4.28Å; I515-L526 HydrophobicContact CD1-CB 3.71Å; I515-L526 HydrophobicContact CG1-CB 4.35Å; N516-L526 CarbonylContact O-C 3.6Å; N516-L526 WeakPolarHBondContact O-CA 3.3Å; C517-L526 HydrophobicContact CB-CD2 3.96Å; I524-L526 HydrophobicContact CG2-CD2 3.77Å; I524-L526 HydrophobicContact CG2-CG 4.09Å; L526-Y531 HydrophobicContact CB-CE1 3.83Å; L526-Y531 WeakPolarHBondContact O-CE1 3.49Å; L526-S534 PolarHBondContact N-O 3.48Å; L526-S534 PolarHBondContact O-N 3.19Å; L526-L536 HydrophobicContact CD1-CD1 3.71Å; L526-L536 HydrophobicContact CG-CD1 4.22Å
527Y88.5Confident85.5Confident32 Ų3228.9 Ų28.913%0.12513%0.133CC..EExtended strand (participates in β ladder)trans-144.7151.2178.971.1-81.7000114I477 L481 N497 I515 N516 I518 I525 G532I477-Y527 HydrophobicContact CG2-CD2 3.94Å; L481-Y527 HydrophobicContact CD1-CD2 3.74Å; L481-Y527 HydrophobicContact CD1-CE2 3.75Å; L481-Y527 HydrophobicContact CD1-CG 4.19Å; L481-Y527 HydrophobicContact CD2-CD1 4.07Å; L481-Y527 HydrophobicContact CD2-CD2 4.39Å; L481-Y527 HydrophobicContact CD2-CG 3.99Å; L481-Y527 HydrophobicContact CG-CD2 4.5Å; N497-Y527 PolarHBondContact OD1-OH 3.24Å; I515-Y527 WeakPolarHBondContact CG1-O 3.44Å; N516-Y527 HydrophobicContact CB-CD1 3.68Å; N516-Y527 HydrophobicContact CB-CD2 3.86Å; N516-Y527 HydrophobicContact CB-CE1 3.26Å; N516-Y527 HydrophobicContact CB-CE2 3.5Å; N516-Y527 VanDerWaalsContact CB-CE2 3.5Å; N516-Y527 HydrophobicContact CB-CG 3.96Å; N516-Y527 WeakPolarHBondContact CB-O 3.49Å; N516-Y527 PolarHBondContact N-O 2.96Å; N516-Y527 PolarHBondContact O-N 2.94Å; I518-Y527 HydrophobicContact CD1-CD1 4.3Å; I518-Y527 HydrophobicContact CD1-CE1 3.69Å; I518-Y527 HydrophobicContact CG1-CD1 4.32Å; I518-Y527 HydrophobicContact CG1-CE1 3.67Å; I525-Y527 HydrophobicContact CG2-CD1 4.47Å; Y527-G532 CarbonylContact C-O 3.53Å; Y527-G532 WeakPolarHBondContact CA-O 3.27Å
528G85.8Confident85.4Confident8 Ų829.4 Ų29.48%0.08214%0.136CC..EExtended strand (participates in β ladder)trans-175.8157.4178.900000113R530 Y531 G532G528-R530 VanDerWaalsContact C-N 3.25Å; G528-R530 PolarHBondContact O-N 3.45Å; G528-R530 VanDerWaalsContact O-N 3.16Å; G528-Y531 PolarHBondContact O-N 2.73Å; G528-G532 PolarHBondContact N-O 2.99Å; G528-G532 PolarHBondContact O-N 2.89Å
529K82.6Confident85.2Confident139 Ų13936.8 Ų36.860%0.60416%0.164SC*.THydrogen-bonded Turntrans-52.2-39.6-172.7-70.5-173.1-179-179.80114D245 W474 I477D245-K529 HydrophobicContact CB-CD 4.31Å; W474-K529 VanDerWaalsContact CD1-O 3.24Å; I477-K529 VanDerWaalsContact CD1-CA 3.42Å; I477-K529 HydrophobicContact CD1-CB 4.35Å; I477-K529 HydrophobicContact CD1-CG 4.11Å
530R84.7Confident85.2Confident41 Ų4139.8 Ų39.816%0.15518%0.177CC..THydrogen-bonded Turntrans-105.32.1179.2-55.4-179.3-165161.15.4113.7E238 L241 R242 D245 C472 Y473 W474 G528 Y574E238-R530 VanDerWaalsContact CD-NH1 3.27Å; E238-R530 IonicContact OE1-CZ 3.9Å; E238-R530 IonicContact OE1-NH1 3.88Å; E238-R530 PolarHBondContact OE1-NH1 2.93Å; E238-R530 IonicContact OE1-NH2 2.87Å; E238-R530 PolarHBondContact OE1-NH2 3.04Å; E238-R530 IonicContact OE2-CZ 2.68Å; E238-R530 IonicContact OE2-NH1 3.78Å; E238-R530 PolarHBondContact OE2-NH1 3.36Å; E238-R530 IonicContact OE2-NH2 2.73Å; L241-R530 VanDerWaalsContact CB-CZ 3.43Å; R242-R530 VanDerWaalsContact CG-NH2 3.33Å; D245-R530 VanDerWaalsContact CG-NE 3.35Å; D245-R530 WeakPolarHBondContact OD1-CG 3.37Å; D245-R530 IonicContact OD1-NE 2.7Å; D245-R530 PolarHBondContact OD1-NE 3.22Å; D245-R530 IonicContact OD2-CZ 3.62Å; D245-R530 VanDerWaalsContact OD2-CZ 3.24Å; D245-R530 IonicContact OD2-NE 3.31Å; D245-R530 PolarHBondContact OD2-NE 3.21Å; D245-R530 IonicContact OD2-NH2 2.98Å; D245-R530 PolarHBondContact OD2-NH2 3.49Å; C472-R530 HydrophobicContact CB-CB 4.21Å; Y473-R530 PolarHBondContact N-O 3.43Å; Y473-R530 CarbonylContact O-C 3.55Å; W474-R530 HydrophobicContact CZ2-CG 3.95Å; G528-R530 VanDerWaalsContact C-N 3.25Å; G528-R530 PolarHBondContact O-N 3.45Å; G528-R530 VanDerWaalsContact O-N 3.16Å; R530-Y574 VanDerWaalsContact O-CD2 3.29Å; R530-Y574 WeakPolarHBondContact O-CD2 3.34Å
531Y82.9Confident85.3Confident9 Ų939 Ų394%0.03517%0.173CC..THydrogen-bonded Turntrans-104.8-30-176.8-178-86.8000111.4Y473 I502 I515 L526 G528 S534 S572 Y574 L575Y473-Y531 PolarHBondContact O-N 3Å; I502-Y531 HydrophobicContact CD1-CE2 4.41Å; I515-Y531 HydrophobicContact CD1-CD1 3.54Å; I515-Y531 HydrophobicContact CD1-CD2 3.34Å; I515-Y531 HydrophobicContact CD1-CE1 3.61Å; I515-Y531 HydrophobicContact CD1-CE2 3.4Å; I515-Y531 VanDerWaalsContact CD1-CE2 3.4Å; I515-Y531 HydrophobicContact CD1-CG 3.41Å; I515-Y531 VanDerWaalsContact CD1-CG 3.41Å; I515-Y531 HydrophobicContact CG1-CD1 4.47Å; I515-Y531 HydrophobicContact CG1-CG 4.34Å; L526-Y531 HydrophobicContact CB-CE1 3.83Å; L526-Y531 WeakPolarHBondContact O-CE1 3.49Å; G528-Y531 PolarHBondContact O-N 2.73Å; Y531-S534 WeakPolarHBondContact CE1-OG 3.45Å; Y531-S534 PolarHBondContact OH-OG 3.15Å; Y531-S572 WeakPolarHBondContact O-CB 3.44Å; Y531-S572 PolarHBondContact O-OG 2.86Å; Y531-Y574 AromaticContact CD2-CD1 3.08Å; Y531-Y574 HydrophobicContact CD2-CD1 3.08Å; Y531-Y574 HydrophobicContact CD2-CD2 4.27Å; Y531-Y574 AromaticContact CD2-CE1 3.45Å; Y531-Y574 HydrophobicContact CD2-CE1 3.45Å; Y531-Y574 VanDerWaalsContact CD2-CE1 3.45Å; Y531-Y574 AromaticContact CD2-CG 3.56Å; Y531-Y574 HydrophobicContact CD2-CG 3.56Å; Y531-Y574 AromaticContact CE2-CD1 3.24Å; Y531-Y574 HydrophobicContact CE2-CD1 3.24Å; Y531-Y574 AromaticContact CE2-CE1 3.76Å; Y531-Y574 HydrophobicContact CE2-CE1 3.76Å; Y531-Y574 HydrophobicContact CE2-CG 4.03Å; Y531-Y574 HydrophobicContact CG-CD1 4.12Å; Y531-Y574 HydrophobicContact CG-CG 4.18Å; Y531-Y574 WeakPolarHBondContact O-CB 3.43Å; Y531-L575 WeakPolarHBondContact OH-CD1 3.38Å
532G83.9Confident85.6Confident0 Ų036.2 Ų36.20%016%0.161CC..EExtended strand (participates in β ladder)trans81.5-152.5-168.200000111.7Y473 T475 Y527 G528Y473-G532 PolarHBondContact O-N 3.36Å; T475-G532 WeakPolarHBondContact OG1-CA 3.06Å; Y527-G532 CarbonylContact C-O 3.53Å; Y527-G532 WeakPolarHBondContact CA-O 3.27Å; G528-G532 PolarHBondContact N-O 2.99Å; G528-G532 PolarHBondContact O-N 2.89Å
533V85.7Confident85.9Confident14 Ų1433 Ų339%0.08514%0.143CC..EExtended strand (participates in β ladder)trans-125.8126.8177.9-178.40000108.8I477 L481 T484 I525 S572I477-V533 HydrophobicContact CG2-CG2 4.25Å; L481-V533 HydrophobicContact CD2-CG1 4.11Å; L481-V533 HydrophobicContact CD2-CG2 4.22Å; L481-V533 HydrophobicContact CG-CG2 4.2Å; T484-V533 HydrophobicContact CG2-CG1 4.27Å; I525-V533 HydrophobicContact CG2-CG1 3.92Å; V533-S572 PolarHBondContact O-N 3.38Å
534S85.2Confident85.9Confident0 Ų030.7 Ų30.70%014%0.135CC..EExtended strand (participates in β ladder)trans-123123.1175.7-67.60000110.5I525 L526 Y531 F570 S572I525-S534 CarbonylContact C-O 3.54Å; I525-S534 VanDerWaalsContact CA-O 3.29Å; I525-S534 WeakPolarHBondContact CA-O 3.4Å; L526-S534 PolarHBondContact N-O 3.48Å; L526-S534 PolarHBondContact O-N 3.19Å; Y531-S534 WeakPolarHBondContact CE1-OG 3.45Å; Y531-S534 PolarHBondContact OH-OG 3.15Å; S534-F570 CarbonylContact C-O 3.54Å; S534-F570 WeakPolarHBondContact CA-O 3.49Å; S534-S572 WeakPolarHBondContact OG-CB 3.29Å; S534-S572 PolarHBondContact OG-N 2.85Å
535V85Confident85.5Confident19 Ų1939.2 Ų39.212%0.11517%0.168CC..EExtended strand (participates in β ladder)trans-100117.9169.3-178.80000108.6T484 M488 I525 F570T484-V535 HydrophobicContact CG2-CG2 3.78Å; M488-V535 HydrophobicContact CE-CB 4.31Å; M488-V535 HydrophobicContact CE-CG1 3.5Å; M488-V535 HydrophobicContact CE-CG2 3.75Å; I525-V535 HydrophobicContact CG1-CG2 4.23Å; I525-V535 HydrophobicContact CG2-CG2 4.42Å; V535-F570 HydrophobicContact CB-CB 3.99Å; V535-F570 HydrophobicContact CG2-CB 3.77Å; V535-F570 HydrophobicContact CG2-CG 4.41Å; V535-F570 PolarHBondContact N-O 2.99Å
536L86.2Confident84.8Confident1 Ų140.2 Ų40.21%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-120.2140.6-172.7-55.8178.6000111.5R523 I524 L526 F559 V571 L575 I592R523-L536 CarbonylContact C-O 3.59Å; R523-L536 VanDerWaalsContact CA-O 3.27Å; R523-L536 WeakPolarHBondContact CA-O 3.27Å; I524-L536 PolarHBondContact N-O 3.04Å; I524-L536 PolarHBondContact O-N 2.52Å; L526-L536 HydrophobicContact CD1-CD1 3.71Å; L526-L536 HydrophobicContact CG-CD1 4.22Å; L536-F559 HydrophobicContact CB-CE1 3.92Å; L536-F559 HydrophobicContact CB-CZ 4.13Å; L536-F559 HydrophobicContact CD1-CZ 3.99Å; L536-V571 HydrophobicContact CD2-CG1 4.35Å; L536-V571 HydrophobicContact CD2-CG2 4.47Å; L536-L575 HydrophobicContact CD1-CD1 4.38Å; L536-L575 HydrophobicContact CD1-CD2 3.88Å; L536-L575 HydrophobicContact CD2-CD2 3.33Å; L536-L575 HydrophobicContact CG-CD2 4.21Å; L536-I592 HydrophobicContact CD1-CD1 3.61Å
537E85.3Confident83.8Confident96 Ų9646.5 Ų46.545%0.44922%0.215SC..  trans-115.194.3170.8-59.3-167144.600108R523R523-E537 HydrophobicContact CG-CG 4.09Å; R523-E537 IonicContact CZ-OE1 2.97Å; R523-E537 IonicContact NE-OE1 3.35Å; R523-E537 PolarHBondContact NE-OE1 3.27Å; R523-E537 IonicContact NH2-OE1 2.88Å; R523-E537 PolarHBondContact NH2-OE1 3.42Å
538P85.9Confident82.6Confident11 Ų1148.4 Ų48.47%0.07123%0.228CC..  trans-66.8142177.727.4-32.2000110.3I524 I541 L557 F559 L619I524-P538 HydrophobicContact CD1-CG 4Å; I524-P538 HydrophobicContact CG1-CG 4.44Å; P538-I541 HydrophobicContact CB-CD1 4.3Å; P538-I541 HydrophobicContact CB-CG1 3.89Å; P538-I541 HydrophobicContact CG-CD1 3.74Å; P538-I541 HydrophobicContact CG-CG1 3.9Å; P538-L557 HydrophobicContact CB-CB 4.48Å; P538-F559 VanDerWaalsContact CA-CE1 3.5Å; P538-F559 HydrophobicContact CB-CE1 3.93Å; P538-F559 HydrophobicContact CB-CZ 4.33Å; P538-L619 HydrophobicContact CG-CD1 4.48Å; P538-L619 HydrophobicContact CG-CD2 4.27Å; P538-L619 VanDerWaalsContact O-CD1 3.29Å; P538-L619 WeakPolarHBondContact O-CD1 3.15Å
539R84.4Confident81.7Confident162 Ų16254 Ų5461%0.61126%0.261SS*.SBendtrans-77.7-39.3172.8-178.5-175.8176.4179.9-0.5111Q558R539-Q558 PolarHBondContact N-O 3.24Å
540K86.5Confident81Confident65 Ų6548.9 Ų48.928%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-146.8152.4177.9-72.9-169.8167.1-147.20109.4Q558 E621K540-Q558 HydrophobicContact CB-CB 4.15Å; K540-Q558 PolarHBondContact N-O 2.88Å; K540-Q558 PolarHBondContact O-N 3.1Å; K540-E621 IonicContact NZ-OE1 3.91Å; K540-E621 PolarHBondContact NZ-OE1 3.35Å; K540-E621 IonicContact NZ-OE2 3.1Å; K540-E621 PolarHBondContact NZ-OE2 2.83Å
541I88.7Confident80.4Confident0 Ų049.9 Ų49.90%025%0.248CC..EExtended strand (participates in β ladder)trans-129.3122.1176.2-57.8177000107.6I524 P538 I555 E556 L557 W614 L619 L620 E621I524-I541 HydrophobicContact CD1-CD1 4.21Å; P538-I541 HydrophobicContact CB-CD1 4.3Å; P538-I541 HydrophobicContact CB-CG1 3.89Å; P538-I541 HydrophobicContact CG-CD1 3.74Å; P538-I541 HydrophobicContact CG-CG1 3.9Å; I541-I555 HydrophobicContact CG2-CG2 3.56Å; I541-E556 CarbonylContact C-O 3.23Å; I541-E556 VanDerWaalsContact CA-O 3.31Å; I541-E556 WeakPolarHBondContact CA-O 3.5Å; I541-L557 HydrophobicContact CB-CD2 4.45Å; I541-L557 HydrophobicContact CD1-CD2 4.03Å; I541-L557 HydrophobicContact CG1-CD2 3.81Å; I541-L557 HydrophobicContact CG2-CD2 3.99Å; I541-W614 HydrophobicContact CD1-CD2 3.65Å; I541-W614 HydrophobicContact CD1-CE3 3.43Å; I541-W614 VanDerWaalsContact CD1-CE3 3.43Å; I541-W614 HydrophobicContact CD1-CG 4.41Å; I541-W614 HydrophobicContact CD1-CH2 3.77Å; I541-W614 HydrophobicContact CD1-CZ2 3.97Å; I541-W614 HydrophobicContact CD1-CZ3 3.51Å; I541-W614 HydrophobicContact CG2-CE3 4.26Å; I541-W614 HydrophobicContact CG2-CZ3 4.16Å; I541-L619 WeakPolarHBondContact CB-O 3.47Å; I541-L619 HydrophobicContact CD1-CD2 3.62Å; I541-L619 HydrophobicContact CD1-CG 3.78Å; I541-L619 HydrophobicContact CG1-CD1 4.49Å; I541-L619 HydrophobicContact CG1-CD2 4.31Å; I541-L619 HydrophobicContact CG1-CG 3.95Å; I541-L619 PolarHBondContact N-O 3.31Å; I541-L620 HydrophobicContact CB-CD1 4Å; I541-L620 HydrophobicContact CG2-CD1 3.54Å; I541-L620 CarbonylContact O-C 3.27Å; I541-L620 WeakPolarHBondContact O-CA 3.43Å; I541-E621 PolarHBondContact O-N 3.48Å
542N87.4Confident80.3Confident9 Ų949.5 Ų49.55%0.04825%0.247CC..EExtended strand (participates in β ladder)trans-104.6128176.1-65.1-33.3000110F544 I555 E556 Q558 E621 P623N542-F544 HydrophobicContact CB-CD2 4.34Å; N542-F544 HydrophobicContact CB-CE2 3.7Å; N542-F544 HydrophobicContact CB-CZ 4.24Å; N542-I555 CarbonylContact O-C 3.57Å; N542-I555 WeakPolarHBondContact O-CA 3.36Å; N542-E556 HydrophobicContact CB-CB 4.14Å; N542-E556 PolarHBondContact N-O 3.26Å; N542-E556 PolarHBondContact ND2-OE2 3.17Å; N542-E556 PolarHBondContact O-N 3.06Å; N542-Q558 PolarHBondContact ND2-NE2 3.44Å; N542-Q558 VanDerWaalsContact ND2-NE2 3.12Å; N542-E621 WeakPolarHBondContact CA-O 3.05Å; N542-P623 HydrophobicContact CB-CG 3.88Å
543H88.1Confident80.4Confident13 Ų1349.6 Ų49.66%0.0625%0.248CC..EExtended strand (participates in β ladder)trans-105.1109.8173.9176-137.9000110.5D553 F611 L620 E621H543-D553 IonicContact CE1-OD2 3.69Å; H543-D553 IonicContact NE2-OD2 2.69Å; H543-D553 PolarHBondContact NE2-OD2 3.09Å; H543-F611 AromaticContact CE1-CE2 3.64Å; H543-F611 AromaticContact CG-CZ 3.99Å; H543-F611 AromaticContact ND1-CE2 3.64Å; H543-F611 AromaticContact NE2-CE2 4Å; H543-L620 HydrophobicContact CB-CD1 3.92Å; H543-E621 PolarHBondContact N-O 3.37Å
544F84.1Confident80.4Confident23 Ų2349.2 Ų49.210%0.10125%0.245CC..EExtended strand (participates in β ladder)trans-95.3112.7174.3-58.1-99.5000109.2N542 L554 E556 W593 P623 K625 P627N542-F544 HydrophobicContact CB-CD2 4.34Å; N542-F544 HydrophobicContact CB-CE2 3.7Å; N542-F544 HydrophobicContact CB-CZ 4.24Å; F544-L554 HydrophobicContact CB-CB 4.13Å; F544-L554 HydrophobicContact CD2-CB 4.48Å; F544-L554 PolarHBondContact N-O 3.12Å; F544-L554 PolarHBondContact O-N 3.2Å; F544-E556 HydrophobicContact CE2-CB 3.94Å; F544-W593 HydrophobicContact CD2-CH2 4.05Å; F544-W593 AromaticContact CD2-CZ3 3.67Å; F544-W593 HydrophobicContact CD2-CZ3 3.67Å; F544-W593 AromaticContact CE2-CH2 3.37Å; F544-W593 HydrophobicContact CE2-CH2 3.37Å; F544-W593 AromaticContact CE2-CZ3 3.47Å; F544-W593 HydrophobicContact CE2-CZ3 3.47Å; F544-W593 VanDerWaalsContact CE2-CZ3 3.47Å; F544-W593 AromaticContact CZ-CH2 3.67Å; F544-W593 HydrophobicContact CZ-CH2 3.67Å; F544-W593 HydrophobicContact CZ-CZ3 4.17Å; F544-P623 HydrophobicContact CD1-CG 3.53Å; F544-P623 HydrophobicContact CD2-CG 4.16Å; F544-P623 HydrophobicContact CE1-CB 4.04Å; F544-P623 HydrophobicContact CE1-CG 3.2Å; F544-P623 HydrophobicContact CE2-CG 3.85Å; F544-P623 HydrophobicContact CG-CG 4.02Å; F544-P623 HydrophobicContact CZ-CB 4.19Å; F544-P623 HydrophobicContact CZ-CG 3.38Å; F544-K625 VanDerWaalsContact CE1-O 3.23Å; F544-K625 WeakPolarHBondContact CE1-O 3.27Å; F544-P627 HydrophobicContact CB-CG 4.05Å; F544-P627 HydrophobicContact CD1-CG 3.65Å; F544-P627 HydrophobicContact CE1-CG 4.15Å; F544-P627 HydrophobicContact CG-CG 3.85Å
545R79.4Confident80.5Confident181 Ų18149.4 Ų49.468%0.68325%0.246SC*.  trans-84.6131.1174.3-162.2177.4-164.7175.53.9109.4
546S72.4Confident80.7Confident21 Ų2148.7 Ų48.715%0.14724%0.242CC..  trans-66.4139.8172.6-177.80000110.7D548 Q551 D553S546-D548 VanDerWaalsContact C-N 3.25Å; S546-D548 WeakPolarHBondContact CB-O 3.35Å; S546-D548 PolarHBondContact OG-N 2.66Å; S546-D548 PolarHBondContact OG-O 3.16Å; S546-Q551 WeakPolarHBondContact OG-CB 3.47Å; S546-Q551 PolarHBondContact OG-OE1 2.84Å; S546-D553 PolarHBondContact N-OD1 3.35Å
547P66.2Low80.7Confident133 Ų13348.7 Ų48.786%0.86424%0.241SC*.SBendtrans-66-28.6170.526.1-33.7000112.6
548D64.9Low80.8Confident72 Ų7244.6 Ų44.639%0.38522%0.223SC..SBendtrans-91.3122.6174.7-172.3-24.3000108.6S546 S550 Q551S546-D548 VanDerWaalsContact C-N 3.25Å; S546-D548 WeakPolarHBondContact CB-O 3.35Å; S546-D548 PolarHBondContact OG-N 2.66Å; S546-D548 PolarHBondContact OG-O 3.16Å; D548-S550 PolarHBondContact O-N 2.88Å; D548-S550 WeakPolarHBondContact OD1-CB 3.47Å; D548-S550 PolarHBondContact OD1-N 3.39Å; D548-S550 PolarHBondContact OD1-OG 3.46Å; D548-S550 PolarHBondContact OD2-OG 2.73Å; D548-Q551 HydrophobicContact CB-CG 4.34Å; D548-Q551 PolarHBondContact O-N 2.68Å
549T65.5Low80.7Confident126 Ų12644.2 Ų44.277%0.77322%0.22SC*.THydrogen-bonded Turntrans-58.8-12.3179.548.60000114
550S68.5Low80.3Confident31 Ų3141 Ų4122%0.21721%0.211CC..THydrogen-bonded Turntrans-92.2-27-17872.80000114D548 Y639D548-S550 PolarHBondContact O-N 2.88Å; D548-S550 WeakPolarHBondContact OD1-CB 3.47Å; D548-S550 PolarHBondContact OD1-N 3.39Å; D548-S550 PolarHBondContact OD1-OG 3.46Å; D548-S550 PolarHBondContact OD2-OG 2.73Å; S550-Y639 WeakPolarHBondContact CB-OH 3.31Å; S550-Y639 WeakPolarHBondContact O-CD2 3.48Å; S550-Y639 WeakPolarHBondContact O-CE2 3.47Å; S550-Y639 WeakPolarHBondContact OG-CE2 3.35Å; S550-Y639 PolarHBondContact OG-OH 3.01Å
551Q73.2Confident79.5Confident61 Ų6140.3 Ų40.329%0.28521%0.213SC..SBendtrans-84.7146.8-177.8-69.6178.6-7.100112.2S546 D548 Q598 Y639S546-Q551 WeakPolarHBondContact OG-CB 3.47Å; S546-Q551 PolarHBondContact OG-OE1 2.84Å; D548-Q551 HydrophobicContact CB-CG 4.34Å; D548-Q551 PolarHBondContact O-N 2.68Å; Q551-Q598 VanDerWaalsContact O-CD 3.3Å; Q551-Q598 WeakPolarHBondContact O-CG 3.37Å; Q551-Q598 PolarHBondContact O-NE2 2.88Å; Q551-Y639 HydrophobicContact CG-CD2 4.37Å; Q551-Y639 HydrophobicContact CG-CG 4.35Å
552P80.6Confident78.6Confident2 Ų243.3 Ų43.31%0.01323%0.23CC..PPolyproline II helixtrans-66.4148.8-176.927.9-33.4000112.8I595 V596 S635P552-I595 HydrophobicContact CB-CG2 3.53Å; P552-I595 HydrophobicContact CG-CG2 3.73Å; P552-V596 WeakPolarHBondContact CA-O 3.36Å; P552-V596 WeakPolarHBondContact CB-O 3.12Å; P552-S635 WeakPolarHBondContact CD-OG 3.31Å; P552-S635 WeakPolarHBondContact CG-O 3.43Å; P552-S635 WeakPolarHBondContact CG-OG 3.35Å; P552-S635 PolarHBondContact O-OG 3.38Å
553D84.5Confident77.5Confident1 Ų144.7 Ų44.71%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-73.2148.6173.3-69.9-23.3000109.2H543 S546 V596 Q598 R603H543-D553 IonicContact CE1-OD2 3.69Å; H543-D553 IonicContact NE2-OD2 2.69Å; H543-D553 PolarHBondContact NE2-OD2 3.09Å; S546-D553 PolarHBondContact N-OD1 3.35Å; D553-V596 HydrophobicContact CB-CB 4.19Å; D553-V596 PolarHBondContact N-O 3.39Å; D553-V596 PolarHBondContact O-N 3.29Å; D553-Q598 VanDerWaalsContact CG-NE2 3.29Å; D553-Q598 PolarHBondContact OD1-NE2 3.44Å; D553-R603 IonicContact OD2-CZ 2.72Å; D553-R603 IonicContact OD2-NE 2.66Å; D553-R603 PolarHBondContact OD2-NE 2.77Å; D553-R603 IonicContact OD2-NH2 3Å
554L86.4Confident76.1Confident7 Ų746.5 Ų46.54%0.03725%0.245CC..EExtended strand (participates in β ladder)trans-111.5137.3176.2-69.7168000110F544 W593 I595 P627 A631F544-L554 HydrophobicContact CB-CB 4.13Å; F544-L554 HydrophobicContact CD2-CB 4.48Å; F544-L554 PolarHBondContact N-O 3.12Å; F544-L554 PolarHBondContact O-N 3.2Å; L554-W593 HydrophobicContact CB-CE3 4.23Å; L554-W593 HydrophobicContact CB-CZ3 4.22Å; L554-W593 HydrophobicContact CD1-CZ3 4.46Å; L554-I595 HydrophobicContact CD2-CG1 3.89Å; L554-P627 HydrophobicContact CD1-CB 3.74Å; L554-P627 HydrophobicContact CD1-CG 3.8Å; L554-A631 HydrophobicContact CD1-CB 4.18Å; L554-A631 HydrophobicContact CD2-CB 4.36Å
555I87.9Confident74.8Confident3 Ų353.1 Ų53.12%0.01527%0.273CS..EExtended strand (participates in β ladder)trans-119123.2171.7-61.4177.6000108.2I541 N542 L557 W593 L594 V596 L606 F611I541-I555 HydrophobicContact CG2-CG2 3.56Å; N542-I555 CarbonylContact O-C 3.57Å; N542-I555 WeakPolarHBondContact O-CA 3.36Å; I555-L557 HydrophobicContact CG2-CD2 4.02Å; I555-W593 CarbonylContact O-C 3.56Å; I555-W593 WeakPolarHBondContact O-CA 3.4Å; I555-L594 HydrophobicContact CB-CB 4.25Å; I555-L594 PolarHBondContact N-O 2.89Å; I555-L594 PolarHBondContact O-N 2.98Å; I555-V596 HydrophobicContact CD1-CG2 3.51Å; I555-V596 HydrophobicContact CG1-CG2 3.93Å; I555-L606 HydrophobicContact CD1-CD1 4.04Å; I555-F611 HydrophobicContact CD1-CE1 3.96Å; I555-F611 HydrophobicContact CD1-CZ 3.93Å
556E87.8Confident73.3Confident5 Ų551.4 Ų51.42%0.02328%0.277CS..EExtended strand (participates in β ladder)trans-101.4124.3171.8-178.9-159.4171.200108.7I541 N542 F544 Q558 H589 I592 W593I541-E556 CarbonylContact C-O 3.23Å; I541-E556 VanDerWaalsContact CA-O 3.31Å; I541-E556 WeakPolarHBondContact CA-O 3.5Å; N542-E556 HydrophobicContact CB-CB 4.14Å; N542-E556 PolarHBondContact N-O 3.26Å; N542-E556 PolarHBondContact ND2-OE2 3.17Å; N542-E556 PolarHBondContact O-N 3.06Å; F544-E556 HydrophobicContact CE2-CB 3.94Å; E556-Q558 HydrophobicContact CG-CG 4.14Å; E556-Q558 WeakPolarHBondContact OE1-CG 3.36Å; E556-Q558 PolarHBondContact OE1-NE2 3.38Å; E556-H589 IonicContact OE1-CD2 2.68Å; E556-H589 IonicContact OE1-NE2 3.11Å; E556-H589 PolarHBondContact OE1-NE2 2.98Å; E556-H589 VanDerWaalsContact OE1-NE2 3.07Å; E556-I592 CarbonylContact C-O 3.43Å; E556-I592 WeakPolarHBondContact CA-O 3.37Å; E556-W593 HydrophobicContact CB-CD2 4.11Å; E556-W593 HydrophobicContact CB-CE3 4.03Å; E556-W593 HydrophobicContact CB-CH2 3.93Å; E556-W593 HydrophobicContact CB-CZ2 4.03Å; E556-W593 HydrophobicContact CB-CZ3 3.94Å; E556-W593 HydrophobicContact CG-CD2 4.26Å; E556-W593 HydrophobicContact CG-CH2 4.17Å; E556-W593 HydrophobicContact CG-CZ2 3.78Å
557L87.4Confident72Confident0 Ų052.2 Ų52.20%029%0.285CS..EExtended strand (participates in β ladder)trans-97.7111.3171.7-55.1-179.9000108.4I524 P538 I541 I555 F559 S591 I592 L594I524-L557 HydrophobicContact CD1-CD1 3.79Å; I524-L557 HydrophobicContact CD1-CD2 3.5Å; I524-L557 VanDerWaalsContact CD1-CD2 3.5Å; I524-L557 HydrophobicContact CD1-CG 4.3Å; P538-L557 HydrophobicContact CB-CB 4.48Å; I541-L557 HydrophobicContact CB-CD2 4.45Å; I541-L557 HydrophobicContact CD1-CD2 4.03Å; I541-L557 HydrophobicContact CG1-CD2 3.81Å; I541-L557 HydrophobicContact CG2-CD2 3.99Å; I555-L557 HydrophobicContact CG2-CD2 4.02Å; L557-F559 HydrophobicContact CB-CE2 3.61Å; L557-F559 HydrophobicContact CB-CZ 3.65Å; L557-F559 HydrophobicContact CD1-CZ 4.26Å; L557-F559 WeakPolarHBondContact O-CD2 3.48Å; L557-F559 WeakPolarHBondContact O-CE2 3.44Å; L557-S591 CarbonylContact O-C 3.59Å; L557-S591 VanDerWaalsContact O-CA 3.23Å; L557-S591 WeakPolarHBondContact O-CA 3.38Å; L557-I592 HydrophobicContact CB-CB 4.3Å; L557-I592 PolarHBondContact N-O 2.7Å; L557-I592 PolarHBondContact O-N 3.19Å; L557-L594 HydrophobicContact CD1-CD1 3.85Å; L557-L594 HydrophobicContact CD1-CG 4.43Å; L557-L594 HydrophobicContact CG-CD1 4.21Å
558Q86.3Confident71.3Confident11 Ų1150.9 Ų50.95%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-93.4136179.4-64.6-170.2-1500111.6R539 K540 N542 E556 D584 H589R539-Q558 PolarHBondContact N-O 3.24Å; K540-Q558 HydrophobicContact CB-CB 4.15Å; K540-Q558 PolarHBondContact N-O 2.88Å; K540-Q558 PolarHBondContact O-N 3.1Å; N542-Q558 PolarHBondContact ND2-NE2 3.44Å; N542-Q558 VanDerWaalsContact ND2-NE2 3.12Å; E556-Q558 HydrophobicContact CG-CG 4.14Å; E556-Q558 WeakPolarHBondContact OE1-CG 3.36Å; E556-Q558 PolarHBondContact OE1-NE2 3.38Å; Q558-D584 PolarHBondContact NE2-OD2 3.43Å; Q558-H589 PolarHBondContact NE2-NE2 2.85Å
559F84.2Confident71Confident3 Ų356 Ų561%0.01329%0.293CS..EExtended strand (participates in β ladder)trans-127.2158.2179.6-54.8-79.2000111.3L536 P538 L557 I563 L579 T590 I592L536-F559 HydrophobicContact CB-CE1 3.92Å; L536-F559 HydrophobicContact CB-CZ 4.13Å; L536-F559 HydrophobicContact CD1-CZ 3.99Å; P538-F559 VanDerWaalsContact CA-CE1 3.5Å; P538-F559 HydrophobicContact CB-CE1 3.93Å; P538-F559 HydrophobicContact CB-CZ 4.33Å; L557-F559 HydrophobicContact CB-CE2 3.61Å; L557-F559 HydrophobicContact CB-CZ 3.65Å; L557-F559 HydrophobicContact CD1-CZ 4.26Å; L557-F559 WeakPolarHBondContact O-CD2 3.48Å; L557-F559 WeakPolarHBondContact O-CE2 3.44Å; F559-I563 HydrophobicContact CB-CB 4.37Å; F559-I563 HydrophobicContact CB-CD1 3.7Å; F559-I563 HydrophobicContact CD1-CD1 3.27Å; F559-I563 HydrophobicContact CE1-CD1 4.01Å; F559-I563 HydrophobicContact CG-CD1 3.56Å; F559-L579 HydrophobicContact CD2-CD2 4.31Å; F559-T590 PolarHBondContact N-O 3.08Å; F559-T590 PolarHBondContact O-N 3.26Å; F559-I592 HydrophobicContact CD2-CD1 4.29Å; F559-I592 HydrophobicContact CD2-CG1 4.36Å; F559-I592 HydrophobicContact CE2-CB 4.17Å; F559-I592 HydrophobicContact CE2-CD1 3.34Å; F559-I592 HydrophobicContact CE2-CG1 3.65Å; F559-I592 HydrophobicContact CZ-CD1 3.77Å
560H77.2Confident71.1Confident93 Ų9352.7 Ų52.743%0.43127%0.268SS..  trans-64.4140.9169.2-166.1-88000109.6D562 I563H560-D562 IonicContact CE1-OD2 3.62Å; H560-D562 PolarHBondContact CE1-OD2 3.48Å; H560-D562 WeakPolarHBondContact ND1-CB 3.11Å; H560-D562 PolarHBondContact ND1-N 2.89Å; H560-D562 VanDerWaalsContact ND1-N 3.11Å; H560-D562 IonicContact ND1-OD2 2.85Å; H560-D562 PolarHBondContact O-N 3.41Å; H560-D562 VanDerWaalsContact O-N 3.09Å; H560-I563 WeakPolarHBondContact O-CB 3.45Å; H560-I563 PolarHBondContact O-N 3.35Å
561P69.7Low71.4Confident51 Ų5152.4 Ų52.433%0.33127%0.265SS..THydrogen-bonded Turntrans-56-29.5178.520-32.4000112.9I563P561-I563 VanDerWaalsContact C-N 3.34Å; P561-I563 PolarHBondContact O-N 3.03Å
562D68.3Low71.6Confident64 Ų6449.6 Ų49.634%0.34225%0.252SS..THydrogen-bonded Turntrans-86.118.7176.1-63.9-46000115.4H560 F564 K565H560-D562 IonicContact CE1-OD2 3.62Å; H560-D562 PolarHBondContact CE1-OD2 3.48Å; H560-D562 WeakPolarHBondContact ND1-CB 3.11Å; H560-D562 PolarHBondContact ND1-N 2.89Å; H560-D562 VanDerWaalsContact ND1-N 3.11Å; H560-D562 IonicContact ND1-OD2 2.85Å; H560-D562 PolarHBondContact O-N 3.41Å; H560-D562 VanDerWaalsContact O-N 3.09Å; D562-F564 PolarHBondContact O-N 3.47Å; D562-K565 HydrophobicContact CB-CB 4.39Å; D562-K565 HydrophobicContact CB-CD 4.18Å; D562-K565 HydrophobicContact CB-CG 4.4Å; D562-K565 PolarHBondContact O-N 2.9Å; D562-K565 WeakPolarHBondContact OD1-CD 3.47Å; D562-K565 VanDerWaalsContact OD1-CE 3.23Å; D562-K565 WeakPolarHBondContact OD1-CE 3.4Å; D562-K565 IonicContact OD1-NZ 3.42Å; D562-K565 PolarHBondContact OD1-NZ 3.39Å; D562-K565 IonicContact OD2-NZ 3.38Å
563I65.3Low71.2Confident38 Ų3850.2 Ų50.220%0.19526%0.256CS..THydrogen-bonded Turntrans-49.5-24.6-179.1-170.6159.9000113.3F559 H560 P561F559-I563 HydrophobicContact CB-CB 4.37Å; F559-I563 HydrophobicContact CB-CD1 3.7Å; F559-I563 HydrophobicContact CD1-CD1 3.27Å; F559-I563 HydrophobicContact CE1-CD1 4.01Å; F559-I563 HydrophobicContact CG-CD1 3.56Å; H560-I563 WeakPolarHBondContact O-CB 3.45Å; H560-I563 PolarHBondContact O-N 3.35Å; P561-I563 VanDerWaalsContact C-N 3.34Å; P561-I563 PolarHBondContact O-N 3.03Å
564F59Low70.7Confident51 Ų5150.6 Ų50.622%0.22426%0.257CS..THydrogen-bonded Turntrans-100-11.4-178.3-56.4-65.7000117D562 N566 A567 V571 Y576 L579D562-F564 PolarHBondContact O-N 3.47Å; F564-N566 PolarHBondContact O-N 3.09Å; F564-A567 WeakPolarHBondContact O-CB 3.24Å; F564-A567 PolarHBondContact O-N 3Å; F564-V571 HydrophobicContact CE1-CG1 3.79Å; F564-Y576 HydrophobicContact CB-CE1 3.94Å; F564-Y576 AromaticContact CD1-CD1 3.94Å; F564-Y576 HydrophobicContact CD1-CD1 3.94Å; F564-Y576 AromaticContact CD1-CE1 3.12Å; F564-Y576 HydrophobicContact CD1-CE1 3.12Å; F564-Y576 AromaticContact CD1-CZ 3.59Å; F564-Y576 AromaticContact CD2-CD1 3.82Å; F564-Y576 HydrophobicContact CD2-CD1 3.82Å; F564-Y576 AromaticContact CD2-CE1 3.58Å; F564-Y576 HydrophobicContact CD2-CE1 3.58Å; F564-Y576 AromaticContact CE1-CD1 3.58Å; F564-Y576 HydrophobicContact CE1-CD1 3.58Å; F564-Y576 AromaticContact CE1-CE1 3.19Å; F564-Y576 HydrophobicContact CE1-CE1 3.19Å; F564-Y576 HydrophobicContact CE1-CG 4.4Å; F564-Y576 AromaticContact CE1-CZ 3.65Å; F564-Y576 AromaticContact CE2-CD1 3.44Å; F564-Y576 HydrophobicContact CE2-CD1 3.44Å; F564-Y576 VanDerWaalsContact CE2-CD1 3.44Å; F564-Y576 AromaticContact CE2-CE1 3.62Å; F564-Y576 HydrophobicContact CE2-CE1 3.62Å; F564-Y576 HydrophobicContact CG-CD1 4.01Å; F564-Y576 AromaticContact CG-CE1 3.29Å; F564-Y576 HydrophobicContact CG-CE1 3.29Å; F564-Y576 AromaticContact CZ-CD1 3.29Å; F564-Y576 HydrophobicContact CZ-CD1 3.29Å; F564-Y576 AromaticContact CZ-CE1 3.42Å; F564-Y576 HydrophobicContact CZ-CE1 3.42Å; F564-Y576 VanDerWaalsContact CZ-CE1 3.42Å; F564-Y576 HydrophobicContact CZ-CG 4.12Å; F564-L579 HydrophobicContact CD2-CD1 4.36Å; F564-L579 HydrophobicContact CE1-CD1 4.49Å; F564-L579 HydrophobicContact CE2-CD1 3.06Å; F564-L579 HydrophobicContact CZ-CD1 3.15Å
565K56.6Low70.3Confident161 Ų16150.3 Ų50.370%0.726%0.256SS*.THydrogen-bonded Turntrans-67-30.9173.6-76.6-177-176.9149.10111.4D562D562-K565 HydrophobicContact CB-CB 4.39Å; D562-K565 HydrophobicContact CB-CD 4.18Å; D562-K565 HydrophobicContact CB-CG 4.4Å; D562-K565 PolarHBondContact O-N 2.9Å; D562-K565 WeakPolarHBondContact OD1-CD 3.47Å; D562-K565 VanDerWaalsContact OD1-CE 3.23Å; D562-K565 WeakPolarHBondContact OD1-CE 3.4Å; D562-K565 IonicContact OD1-NZ 3.42Å; D562-K565 PolarHBondContact OD1-NZ 3.39Å; D562-K565 IonicContact OD2-NZ 3.38Å
566N46.6Very low69.5Low145 Ų14553.5 Ų53.578%0.77527%0.268SS*.THydrogen-bonded Turntrans-106.121.9179.9-67.1-12.6000112.8F564 N568F564-N566 PolarHBondContact O-N 3.09Å; N566-N568 PolarHBondContact O-N 3.17Å
567A45.8Very low68.6Low38 Ų3853.6 Ų53.631%0.31427%0.27SS..  trans-50.7107.1-168.400000112.7F564F564-A567 WeakPolarHBondContact O-CB 3.24Å; F564-A567 PolarHBondContact O-N 3Å
568N51Low67.4Low106 Ų10653.7 Ų53.757%0.56727%0.27SS*.  trans-49.9148.8160.4-71.4-37.1000108.9N566 F570N566-N568 PolarHBondContact O-N 3.17Å; N568-F570 PolarHBondContact O-N 3.23Å
569E58.9Low66.6Low179 Ų17954.6 Ų54.684%0.83628%0.275SS*.THydrogen-bonded Turntrans-56-4.3-179.3-76.6-179.3147.900115.6
570F67.7Low65.8Low56 Ų5655.6 Ų55.625%0.24628%0.28CS..THydrogen-bonded Turntrans-113.521.6-167.3-59-73.7000115.2T484 V487 S534 V535 N568T484-F570 HydrophobicContact CG2-CB 4.47Å; T484-F570 HydrophobicContact CG2-CD1 3.34Å; T484-F570 HydrophobicContact CG2-CE1 3.66Å; T484-F570 HydrophobicContact CG2-CG 4Å; V487-F570 HydrophobicContact CG2-CZ 4.22Å; S534-F570 CarbonylContact C-O 3.54Å; S534-F570 WeakPolarHBondContact CA-O 3.49Å; V535-F570 HydrophobicContact CB-CB 3.99Å; V535-F570 HydrophobicContact CG2-CB 3.77Å; V535-F570 HydrophobicContact CG2-CG 4.41Å; V535-F570 PolarHBondContact N-O 2.99Å; N568-F570 PolarHBondContact O-N 3.23Å
571V74.2Confident65.5Low25 Ų2558.3 Ų58.315%0.15229%0.293CS..  trans-100.8120.3171.8-172.90000110.1L536 F564 L575L536-V571 HydrophobicContact CD2-CG1 4.35Å; L536-V571 HydrophobicContact CD2-CG2 4.47Å; F564-V571 HydrophobicContact CE1-CG1 3.79Å; V571-L575 HydrophobicContact CG1-CB 4.24Å; V571-L575 HydrophobicContact CG1-CD2 3.65Å
572S79.1Confident65.3Low3 Ų357.3 Ų57.32%0.02128%0.284CS..  trans-64.3136.7176.6178.20000110.5Y473 Y531 V533 S534 Y574 L575Y473-S572 VanDerWaalsContact CD1-OG 3.29Å; Y473-S572 WeakPolarHBondContact CD1-OG 3.13Å; Y531-S572 WeakPolarHBondContact O-CB 3.44Å; Y531-S572 PolarHBondContact O-OG 2.86Å; V533-S572 PolarHBondContact O-N 3.38Å; S534-S572 WeakPolarHBondContact OG-CB 3.29Å; S534-S572 PolarHBondContact OG-N 2.85Å; S572-Y574 PolarHBondContact O-N 3.32Å; S572-Y574 PolarHBondContact OG-N 2.93Å; S572-L575 VanDerWaalsContact O-CB 3.27Å; S572-L575 WeakPolarHBondContact O-CB 3.45Å; S572-L575 PolarHBondContact O-N 3.41Å
573P71.2Confident65.3Low14 Ų1460.9 Ų60.99%0.09130%0.302CS..G310 helixtrans-61.8-21172.5-20.731.7000115.2I354 Y473 L575 Y576I354-P573 HydrophobicContact CB-CB 4.47Å; I354-P573 HydrophobicContact CD1-CB 3.34Å; I354-P573 HydrophobicContact CD1-CG 3.6Å; I354-P573 HydrophobicContact CG1-CB 4.38Å; I354-P573 HydrophobicContact CG2-CB 3.85Å; Y473-P573 HydrophobicContact CD1-CG 4.45Å; Y473-P573 HydrophobicContact CE1-CG 4.08Å; Y473-P573 HydrophobicContact CE2-CG 4.41Å; P573-L575 PolarHBondContact O-N 2.9Å; P573-Y576 HydrophobicContact CB-CD2 3.97Å; P573-Y576 HydrophobicContact CB-CE2 4.04Å; P573-Y576 WeakPolarHBondContact O-CD2 3.29Å; P573-Y576 PolarHBondContact O-N 3.42Å
574Y74.8Confident65.3Low9 Ų961.2 Ų61.24%0.03530%0.304CS..G310 helixtrans-54.9-36.7171.6-173.1-74.2000110.8I471 T504 S513 R530 Y531 S572 Y576 S577 T578I471-Y574 HydrophobicContact CG2-CD2 3.64Å; I471-Y574 HydrophobicContact CG2-CE2 3.78Å; I471-Y574 HydrophobicContact CG2-CG 4.04Å; I471-Y574 WeakPolarHBondContact O-CE2 3.05Å; T504-Y574 HydrophobicContact CG2-CE1 3.92Å; S513-Y574 PolarHBondContact OG-OH 3.41Å; R530-Y574 VanDerWaalsContact O-CD2 3.29Å; R530-Y574 WeakPolarHBondContact O-CD2 3.34Å; Y531-Y574 AromaticContact CD2-CD1 3.08Å; Y531-Y574 HydrophobicContact CD2-CD1 3.08Å; Y531-Y574 HydrophobicContact CD2-CD2 4.27Å; Y531-Y574 AromaticContact CD2-CE1 3.45Å; Y531-Y574 HydrophobicContact CD2-CE1 3.45Å; Y531-Y574 VanDerWaalsContact CD2-CE1 3.45Å; Y531-Y574 AromaticContact CD2-CG 3.56Å; Y531-Y574 HydrophobicContact CD2-CG 3.56Å; Y531-Y574 AromaticContact CE2-CD1 3.24Å; Y531-Y574 HydrophobicContact CE2-CD1 3.24Å; Y531-Y574 AromaticContact CE2-CE1 3.76Å; Y531-Y574 HydrophobicContact CE2-CE1 3.76Å; Y531-Y574 HydrophobicContact CE2-CG 4.03Å; Y531-Y574 HydrophobicContact CG-CD1 4.12Å; Y531-Y574 HydrophobicContact CG-CG 4.18Å; Y531-Y574 WeakPolarHBondContact O-CB 3.43Å; S572-Y574 PolarHBondContact O-N 3.32Å; S572-Y574 PolarHBondContact OG-N 2.93Å; Y574-Y576 PolarHBondContact O-N 3.12Å; Y574-S577 PolarHBondContact O-N 2.85Å; Y574-S577 VanDerWaalsContact O-N 3.14Å; Y574-S577 PolarHBondContact O-OG 3.16Å; Y574-T578 HydrophobicContact CD1-CG2 3.72Å; Y574-T578 HydrophobicContact CE1-CG2 3.47Å; Y574-T578 VanDerWaalsContact CE1-CG2 3.47Å
575L76.9Confident65.6Low1 Ų167.4 Ų67.41%0.00533%0.334CS..G310 helixtrans-63-30.2-174.7-169.467.9000113.3Y531 L536 V571 S572 P573 S577 T578 L579 I592Y531-L575 WeakPolarHBondContact OH-CD1 3.38Å; L536-L575 HydrophobicContact CD1-CD1 4.38Å; L536-L575 HydrophobicContact CD1-CD2 3.88Å; L536-L575 HydrophobicContact CD2-CD2 3.33Å; L536-L575 HydrophobicContact CG-CD2 4.21Å; V571-L575 HydrophobicContact CG1-CB 4.24Å; V571-L575 HydrophobicContact CG1-CD2 3.65Å; S572-L575 VanDerWaalsContact O-CB 3.27Å; S572-L575 WeakPolarHBondContact O-CB 3.45Å; S572-L575 PolarHBondContact O-N 3.41Å; P573-L575 PolarHBondContact O-N 2.9Å; L575-S577 PolarHBondContact O-N 2.78Å; L575-S577 VanDerWaalsContact O-N 3.16Å; L575-T578 WeakPolarHBondContact CD1-OG1 3.11Å; L575-T578 PolarHBondContact O-N 3.18Å; L575-T578 PolarHBondContact O-OG1 3.17Å; L575-L579 WeakPolarHBondContact O-CG 3.47Å; L575-L579 PolarHBondContact O-N 3.17Å; L575-I592 HydrophobicContact CD1-CD1 3.23Å; L575-I592 HydrophobicContact CD1-CG1 3.97Å; L575-I592 HydrophobicContact CD2-CD1 4.08Å; L575-I592 HydrophobicContact CG-CD1 4.05Å
576Y72.4Confident65.9Low70 Ų7064.9 Ų64.928%0.27533%0.332SS..G310 helixtrans-57.3-31.5177.8-65.3-72.3000112.8L358 F564 P573 Y574 T578L358-Y576 HydrophobicContact CD1-CD2 4.29Å; L358-Y576 HydrophobicContact CD1-CG 3.97Å; F564-Y576 HydrophobicContact CB-CE1 3.94Å; F564-Y576 AromaticContact CD1-CD1 3.94Å; F564-Y576 HydrophobicContact CD1-CD1 3.94Å; F564-Y576 AromaticContact CD1-CE1 3.12Å; F564-Y576 HydrophobicContact CD1-CE1 3.12Å; F564-Y576 AromaticContact CD1-CZ 3.59Å; F564-Y576 AromaticContact CD2-CD1 3.82Å; F564-Y576 HydrophobicContact CD2-CD1 3.82Å; F564-Y576 AromaticContact CD2-CE1 3.58Å; F564-Y576 HydrophobicContact CD2-CE1 3.58Å; F564-Y576 AromaticContact CE1-CD1 3.58Å; F564-Y576 HydrophobicContact CE1-CD1 3.58Å; F564-Y576 AromaticContact CE1-CE1 3.19Å; F564-Y576 HydrophobicContact CE1-CE1 3.19Å; F564-Y576 HydrophobicContact CE1-CG 4.4Å; F564-Y576 AromaticContact CE1-CZ 3.65Å; F564-Y576 AromaticContact CE2-CD1 3.44Å; F564-Y576 HydrophobicContact CE2-CD1 3.44Å; F564-Y576 VanDerWaalsContact CE2-CD1 3.44Å; F564-Y576 AromaticContact CE2-CE1 3.62Å; F564-Y576 HydrophobicContact CE2-CE1 3.62Å; F564-Y576 HydrophobicContact CG-CD1 4.01Å; F564-Y576 AromaticContact CG-CE1 3.29Å; F564-Y576 HydrophobicContact CG-CE1 3.29Å; F564-Y576 AromaticContact CZ-CD1 3.29Å; F564-Y576 HydrophobicContact CZ-CD1 3.29Å; F564-Y576 AromaticContact CZ-CE1 3.42Å; F564-Y576 HydrophobicContact CZ-CE1 3.42Å; F564-Y576 VanDerWaalsContact CZ-CE1 3.42Å; F564-Y576 HydrophobicContact CZ-CG 4.12Å; P573-Y576 HydrophobicContact CB-CD2 3.97Å; P573-Y576 HydrophobicContact CB-CE2 4.04Å; P573-Y576 WeakPolarHBondContact O-CD2 3.29Å; P573-Y576 PolarHBondContact O-N 3.42Å; Y574-Y576 PolarHBondContact O-N 3.12Å; Y576-T578 VanDerWaalsContact C-N 3.34Å
577S67.2Low67.1Low8 Ų859.5 Ų59.56%0.05631%0.311CS..G310 helixtrans-82.7-13.617977.70000113.5I471 P506 Y574 L575I471-S577 WeakPolarHBondContact CG2-OG 3.38Å; P506-S577 WeakPolarHBondContact CA-O 3.15Å; Y574-S577 PolarHBondContact O-N 2.85Å; Y574-S577 VanDerWaalsContact O-N 3.14Å; Y574-S577 PolarHBondContact O-OG 3.16Å; L575-S577 PolarHBondContact O-N 2.78Å; L575-S577 VanDerWaalsContact O-N 3.16Å
578T63.3Low68.5Low1 Ų161.7 Ų61.71%0.00632%0.317CS..THydrogen-bonded Turntrans-94.2-13.8-176.264.20000113.2T504 Y574 L575 Y576T504-T578 HydrophobicContact CG2-CG2 3.5Å; T504-T578 VanDerWaalsContact CG2-CG2 3.5Å; Y574-T578 HydrophobicContact CD1-CG2 3.72Å; Y574-T578 HydrophobicContact CE1-CG2 3.47Å; Y574-T578 VanDerWaalsContact CE1-CG2 3.47Å; L575-T578 WeakPolarHBondContact CD1-OG1 3.11Å; L575-T578 PolarHBondContact O-N 3.18Å; L575-T578 PolarHBondContact O-OG1 3.17Å; Y576-T578 VanDerWaalsContact C-N 3.34Å
579L70.2Confident69.7Low31 Ų3157.2 Ų57.216%0.16229%0.292CS..PPolyproline II helixtrans-77.5129.3-174.2-72.6167.1000111.4F559 F564 L575 I592F559-L579 HydrophobicContact CD2-CD2 4.31Å; F564-L579 HydrophobicContact CD2-CD1 4.36Å; F564-L579 HydrophobicContact CE1-CD1 4.49Å; F564-L579 HydrophobicContact CE2-CD1 3.06Å; F564-L579 HydrophobicContact CZ-CD1 3.15Å; L575-L579 WeakPolarHBondContact O-CG 3.47Å; L575-L579 PolarHBondContact O-N 3.17Å; L579-I592 HydrophobicContact CD2-CD1 4.21Å; L579-I592 HydrophobicContact CD2-CG1 3.62Å
580L66.1Low70.7Confident24 Ų2449.1 Ų49.113%0.12626%0.255CS..EExtended strand (participates in β ladder)trans-99.6125.2171.9-74.2170000108.9V505 E582 T590 S591V505-L580 HydrophobicContact CB-CD1 4.36Å; V505-L580 HydrophobicContact CB-CD2 3.74Å; V505-L580 HydrophobicContact CB-CG 4.21Å; V505-L580 HydrophobicContact CG1-CD2 4Å; V505-L580 HydrophobicContact CG2-CD1 3.92Å; V505-L580 HydrophobicContact CG2-CD2 4.19Å; V505-L580 HydrophobicContact CG2-CG 4.3Å; L580-E582 HydrophobicContact CB-CG 4.37Å; L580-T590 CarbonylContact O-C 3.59Å; L580-T590 VanDerWaalsContact O-CA 3.26Å; L580-T590 WeakPolarHBondContact O-CA 3.5Å; L580-S591 PolarHBondContact N-O 2.97Å; L580-S591 PolarHBondContact O-N 2.62Å
581E70.4Confident71.4Confident150 Ų15046.4 Ų46.470%0.70124%0.243SC*.EExtended strand (participates in β ladder)trans-79.8119.4166.6-72.6-177.2178.900108.8L588 T590E581-L588 HydrophobicContact CB-CD1 4.37Å; E581-T590 HydrophobicContact CG-CG2 4.08Å
582E67Low71.9Confident29 Ų2945.2 Ų45.214%0.13624%0.236CC..EExtended strand (participates in β ladder)trans-126.2152.5-178.6-71.7176.9167.400110L580 L588 H589 S591 W593 N628L580-E582 HydrophobicContact CB-CG 4.37Å; E582-L588 WeakPolarHBondContact O-CA 3.46Å; E582-H589 PolarHBondContact N-O 3.41Å; E582-H589 PolarHBondContact O-N 2.81Å; E582-H589 IonicContact OE2-NE2 3.82Å; E582-H589 PolarHBondContact OE2-NE2 2.97Å; E582-S591 PolarHBondContact OE2-OG 3.18Å; E582-W593 PolarHBondContact OE1-NE1 3.49Å; E582-N628 WeakPolarHBondContact OE1-CB 3.29Å; E582-N628 PolarHBondContact OE1-ND2 3.37Å
583I67.1Low72.2Confident140 Ų14045.3 Ų45.372%0.71824%0.236SC*.EExtended strand (participates in β ladder)trans-116.1115.9-179.7-57.4172.1000108.3L588I583-L588 HydrophobicContact CG1-CD1 3.77Å
584D64.9Low72.9Confident44 Ų4444.9 Ų44.924%0.23523%0.232CC..EExtended strand (participates in β ladder)trans-110.6177.6173.4-93.9-26.8000112Q558 T586 G587 H589 K625Q558-D584 PolarHBondContact NE2-OD2 3.43Å; D584-T586 PolarHBondContact O-N 3.49Å; D584-T586 VanDerWaalsContact O-N 3.09Å; D584-G587 PolarHBondContact N-O 2.95Å; D584-G587 PolarHBondContact O-N 2.91Å; D584-H589 VanDerWaalsContact CG-CE1 3.49Å; D584-H589 IonicContact OD2-CE1 2.65Å; D584-H589 PolarHBondContact OD2-CE1 3.37Å; D584-H589 IonicContact OD2-ND1 2.98Å; D584-H589 IonicContact OD2-NE2 3.8Å; D584-K625 IonicContact OD1-NZ 3.24Å; D584-K625 PolarHBondContact OD1-NZ 3.26Å
585E65.7Low73.4Confident182 Ų18244.4 Ų44.485%0.8523%0.231SC*.THydrogen-bonded Turntrans-56.4-24.9174.7-66.5176.9-165.900112.2
586T62.7Low73.7Confident108 Ų10844.5 Ų44.566%0.66323%0.231SC*.THydrogen-bonded Turntrans-87.2-1.7179.152.90000114.5D584D584-T586 PolarHBondContact O-N 3.49Å; D584-T586 VanDerWaalsContact O-N 3.09Å
587G73.2Confident74.1Confident32 Ų3243.9 Ų43.933%0.3323%0.23SC..EExtended strand (participates in β ladder)trans107.5-167.6-175.700000114D584D584-G587 PolarHBondContact N-O 2.95Å; D584-G587 PolarHBondContact O-N 2.91Å
588L74.6Confident74.4Confident84 Ų8444.3 Ų44.344%0.4423%0.231SC..EExtended strand (participates in β ladder)trans-72126179-170.881.1000110.7E581 E582 I583E581-L588 HydrophobicContact CB-CD1 4.37Å; E582-L588 WeakPolarHBondContact O-CA 3.46Å; I583-L588 HydrophobicContact CG1-CD1 3.77Å
589H76.3Confident75Confident12 Ų1252.2 Ų52.26%0.05627%0.267CS..EExtended strand (participates in β ladder)trans-127.7165.2171.367.3-83.6000111.1E556 Q558 E582 D584E556-H589 IonicContact OE1-CD2 2.68Å; E556-H589 IonicContact OE1-NE2 3.11Å; E556-H589 PolarHBondContact OE1-NE2 2.98Å; E556-H589 VanDerWaalsContact OE1-NE2 3.07Å; Q558-H589 PolarHBondContact NE2-NE2 2.85Å; E582-H589 PolarHBondContact N-O 3.41Å; E582-H589 PolarHBondContact O-N 2.81Å; E582-H589 IonicContact OE2-NE2 3.82Å; E582-H589 PolarHBondContact OE2-NE2 2.97Å; D584-H589 VanDerWaalsContact CG-CE1 3.49Å; D584-H589 IonicContact OD2-CE1 2.65Å; D584-H589 PolarHBondContact OD2-CE1 3.37Å; D584-H589 IonicContact OD2-ND1 2.98Å; D584-H589 IonicContact OD2-NE2 3.8Å
590T79.4Confident75.4Confident8 Ų852.1 Ų52.15%0.04927%0.27CS..EExtended strand (participates in β ladder)trans-110.2134.417151.50000109.3F559 L580 E581F559-T590 PolarHBondContact N-O 3.08Å; F559-T590 PolarHBondContact O-N 3.26Å; L580-T590 CarbonylContact O-C 3.59Å; L580-T590 VanDerWaalsContact O-CA 3.26Å; L580-T590 WeakPolarHBondContact O-CA 3.5Å; E581-T590 HydrophobicContact CG-CG2 4.08Å
591S83Confident76.2Confident0 Ų059 Ų590%030%0.299CS..EExtended strand (participates in β ladder)trans-125.1148-177.663.10000113.1L557 L580 E582 W593L557-S591 CarbonylContact O-C 3.59Å; L557-S591 VanDerWaalsContact O-CA 3.23Å; L557-S591 WeakPolarHBondContact O-CA 3.38Å; L580-S591 PolarHBondContact N-O 2.97Å; L580-S591 PolarHBondContact O-N 2.62Å; E582-S591 PolarHBondContact OE2-OG 3.18Å; S591-W593 PolarHBondContact OG-NE1 3.27Å
592I84.6Confident76.7Confident0 Ų052.6 Ų52.60%027%0.269CS..EExtended strand (participates in β ladder)trans-115.5133.3167.1-58.7165.4000107.7I502 L536 E556 L557 F559 L575 L579 L594I502-I592 HydrophobicContact CD1-CG2 3.51Å; I502-I592 HydrophobicContact CG1-CG2 3.93Å; L536-I592 HydrophobicContact CD1-CD1 3.61Å; E556-I592 CarbonylContact C-O 3.43Å; E556-I592 WeakPolarHBondContact CA-O 3.37Å; L557-I592 HydrophobicContact CB-CB 4.3Å; L557-I592 PolarHBondContact N-O 2.7Å; L557-I592 PolarHBondContact O-N 3.19Å; F559-I592 HydrophobicContact CD2-CD1 4.29Å; F559-I592 HydrophobicContact CD2-CG1 4.36Å; F559-I592 HydrophobicContact CE2-CB 4.17Å; F559-I592 HydrophobicContact CE2-CD1 3.34Å; F559-I592 HydrophobicContact CE2-CG1 3.65Å; F559-I592 HydrophobicContact CZ-CD1 3.77Å; L575-I592 HydrophobicContact CD1-CD1 3.23Å; L575-I592 HydrophobicContact CD1-CG1 3.97Å; L575-I592 HydrophobicContact CD2-CD1 4.08Å; L575-I592 HydrophobicContact CG-CD1 4.05Å; L579-I592 HydrophobicContact CD2-CD1 4.21Å; L579-I592 HydrophobicContact CD2-CG1 3.62Å; I592-L594 HydrophobicContact CG2-CD2 4.43Å
593W85.4Confident77.5Confident5 Ų553.4 Ų53.42%0.01927%0.271CS..EExtended strand (participates in β ladder)trans-105.4129.5179.4-69.278.2000111.2V503 F544 L554 I555 E556 E582 S591 P627 N628 A631V503-W593 HydrophobicContact CB-CB 3.98Å; V503-W593 HydrophobicContact CG2-CB 4.14Å; V503-W593 PolarHBondContact N-O 2.92Å; F544-W593 HydrophobicContact CD2-CH2 4.05Å; F544-W593 AromaticContact CD2-CZ3 3.67Å; F544-W593 HydrophobicContact CD2-CZ3 3.67Å; F544-W593 AromaticContact CE2-CH2 3.37Å; F544-W593 HydrophobicContact CE2-CH2 3.37Å; F544-W593 AromaticContact CE2-CZ3 3.47Å; F544-W593 HydrophobicContact CE2-CZ3 3.47Å; F544-W593 VanDerWaalsContact CE2-CZ3 3.47Å; F544-W593 AromaticContact CZ-CH2 3.67Å; F544-W593 HydrophobicContact CZ-CH2 3.67Å; F544-W593 HydrophobicContact CZ-CZ3 4.17Å; L554-W593 HydrophobicContact CB-CE3 4.23Å; L554-W593 HydrophobicContact CB-CZ3 4.22Å; L554-W593 HydrophobicContact CD1-CZ3 4.46Å; I555-W593 CarbonylContact O-C 3.56Å; I555-W593 WeakPolarHBondContact O-CA 3.4Å; E556-W593 HydrophobicContact CB-CD2 4.11Å; E556-W593 HydrophobicContact CB-CE3 4.03Å; E556-W593 HydrophobicContact CB-CH2 3.93Å; E556-W593 HydrophobicContact CB-CZ2 4.03Å; E556-W593 HydrophobicContact CB-CZ3 3.94Å; E556-W593 HydrophobicContact CG-CD2 4.26Å; E556-W593 HydrophobicContact CG-CH2 4.17Å; E556-W593 HydrophobicContact CG-CZ2 3.78Å; E582-W593 PolarHBondContact OE1-NE1 3.49Å; S591-W593 PolarHBondContact OG-NE1 3.27Å; W593-P627 HydrophobicContact CH2-CB 3.86Å; W593-P627 HydrophobicContact CZ3-CB 3.77Å; W593-N628 HydrophobicContact CZ2-CB 3.97Å; W593-A631 HydrophobicContact CB-CB 4.25Å; W593-A631 HydrophobicContact CD2-CB 3.53Å; W593-A631 HydrophobicContact CE3-CB 3.45Å; W593-A631 VanDerWaalsContact CE3-CB 3.45Å; W593-A631 HydrophobicContact CG-CB 3.91Å; W593-A631 HydrophobicContact CZ3-CB 4.03Å
594L86.7Confident78.3Confident4 Ų454.9 Ų54.92%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-115.1137.7175.8-57.2174.3000109.5L500 E501 I502 I555 L557 I592L500-L594 HydrophobicContact CD1-CD1 4.06Å; E501-L594 WeakPolarHBondContact O-CA 3.47Å; I502-L594 HydrophobicContact CB-CD2 3.9Å; I502-L594 HydrophobicContact CD1-CD2 4.22Å; I502-L594 HydrophobicContact CG1-CD2 3.94Å; I555-L594 HydrophobicContact CB-CB 4.25Å; I555-L594 PolarHBondContact N-O 2.89Å; I555-L594 PolarHBondContact O-N 2.98Å; L557-L594 HydrophobicContact CD1-CD1 3.85Å; L557-L594 HydrophobicContact CD1-CG 4.43Å; L557-L594 HydrophobicContact CG-CD1 4.21Å; I592-L594 HydrophobicContact CG2-CD2 4.43Å
595I83.6Confident79.3Confident0 Ų054.8 Ų54.80%027%0.267CS..EExtended strand (participates in β ladder)trans-99.1128.3174.4-57.3-175.6000108.9E501 V503 L512 P552 L554 A634E501-I595 HydrophobicContact CB-CB 4.08Å; E501-I595 PolarHBondContact O-N 3.21Å; V503-I595 HydrophobicContact CG2-CD1 3.69Å; V503-I595 HydrophobicContact CG2-CG1 3.53Å; L512-I595 HydrophobicContact CD2-CD1 3.5Å; P552-I595 HydrophobicContact CB-CG2 3.53Å; P552-I595 HydrophobicContact CG-CG2 3.73Å; L554-I595 HydrophobicContact CD2-CG1 3.89Å; I595-A634 HydrophobicContact CD1-CB 3.73Å
596V84Confident80.3Confident2 Ų246.2 Ų46.21%0.01223%0.227CC..EExtended strand (participates in β ladder)trans-113.1107176.4-1780000109.2L500 P552 D553 I555 Q598 R603 L606L500-V596 HydrophobicContact CD2-CG2 3.92Å; P552-V596 WeakPolarHBondContact CA-O 3.36Å; P552-V596 WeakPolarHBondContact CB-O 3.12Å; D553-V596 HydrophobicContact CB-CB 4.19Å; D553-V596 PolarHBondContact N-O 3.39Å; D553-V596 PolarHBondContact O-N 3.29Å; I555-V596 HydrophobicContact CD1-CG2 3.51Å; I555-V596 HydrophobicContact CG1-CG2 3.93Å; V596-Q598 PolarHBondContact O-N 2.79Å; V596-R603 HydrophobicContact CG1-CB 3.52Å; V596-R603 HydrophobicContact CG1-CG 3.78Å; V596-L606 HydrophobicContact CB-CD1 4.49Å; V596-L606 HydrophobicContact CG1-CD1 3.9Å; V596-L606 HydrophobicContact CG2-CD1 3.7Å
597K80.4Confident81.4Confident58 Ų5844.2 Ų44.225%0.25221%0.211SC..  trans-57.8132177.9-53.3-163.6154.5172.80111.8E501 H599 S600 E642E501-K597 WeakPolarHBondContact OE1-CE 3.4Å; E501-K597 IonicContact OE1-NZ 3.24Å; E501-K597 PolarHBondContact OE1-NZ 3.41Å; K597-H599 VanDerWaalsContact C-N 3.34Å; K597-H599 PolarHBondContact O-N 3.5Å; K597-S600 PolarHBondContact O-N 2.88Å; K597-S600 PolarHBondContact O-OG 2.68Å; K597-E642 WeakPolarHBondContact CB-OE1 3.37Å; K597-E642 HydrophobicContact CD-CG 4.37Å; K597-E642 WeakPolarHBondContact CD-OE1 3.4Å; K597-E642 VanDerWaalsContact CE-OE1 3.22Å; K597-E642 WeakPolarHBondContact CE-OE1 3.44Å; K597-E642 WeakPolarHBondContact CG-OE1 3.38Å
598Q74.6Confident82Confident16 Ų1647.8 Ų47.88%0.07522%0.219CC..THydrogen-bonded Turntrans-59.8-40.6-174-76.2-61.6-23.800113.3Q551 D553 V596 R603Q551-Q598 VanDerWaalsContact O-CD 3.3Å; Q551-Q598 WeakPolarHBondContact O-CG 3.37Å; Q551-Q598 PolarHBondContact O-NE2 2.88Å; D553-Q598 VanDerWaalsContact CG-NE2 3.29Å; D553-Q598 PolarHBondContact OD1-NE2 3.44Å; V596-Q598 PolarHBondContact O-N 2.79Å; Q598-R603 WeakPolarHBondContact O-CD 3.3Å; Q598-R603 VanDerWaalsContact OE1-NE 3.14Å
599H74.9Confident82.6Confident167 Ų16747.2 Ų47.277%0.77322%0.216SC*.THydrogen-bonded Turntrans-9717-176.7-61.3-64.3000113.9K597K597-H599 VanDerWaalsContact C-N 3.34Å; K597-H599 PolarHBondContact O-N 3.5Å
600S79.2Confident83.2Confident30 Ų3046.6 Ų46.621%0.2121%0.214CC..  trans-84.2144.8179.662.90000113.3K597 M602 R603 R604K597-S600 PolarHBondContact O-N 2.88Å; K597-S600 PolarHBondContact O-OG 2.68Å; S600-M602 PolarHBondContact O-N 2.64Å; S600-R603 PolarHBondContact O-N 3.41Å; S600-R603 PolarHBondContact OG-N 3.45Å; S600-R604 PolarHBondContact O-N 2.89Å
601K82.1Confident83.7Confident169 Ų16946.4 Ų46.474%0.73521%0.212SC*.Hα-helixtrans-52.2-35.8163.8-175.6-177.7-179-176.80110.8R604 L605K601-R604 WeakPolarHBondContact O-CB 3.35Å; K601-R604 PolarHBondContact O-N 3.3Å; K601-L605 HydrophobicContact CD-CD1 4.46Å; K601-L605 HydrophobicContact CG-CD1 4.02Å; K601-L605 HydrophobicContact CG-CG 4.35Å; K601-L605 WeakPolarHBondContact O-CG 3.24Å; K601-L605 PolarHBondContact O-N 3.03Å
602M81.2Confident83.9Confident14 Ų1449.3 Ų49.37%0.06923%0.231CC..Hα-helixtrans-59.7-47.2179.8-172.658.9-170.400112.7L496 L500 S600 R604 L605 L606L496-M602 HydrophobicContact CD1-CE 3.69Å; L496-M602 HydrophobicContact CD1-SD 3.72Å; L496-M602 HydrophobicContact CD2-CE 3.07Å; L496-M602 HydrophobicContact CD2-SD 3.54Å; L496-M602 VanDerWaalsContact CD2-SD 3.54Å; L496-M602 HydrophobicContact CG-CE 3.98Å; L496-M602 HydrophobicContact CG-SD 4.03Å; L500-M602 HydrophobicContact CD1-CE 3.62Å; L500-M602 HydrophobicContact CD2-CB 4.49Å; L500-M602 HydrophobicContact CD2-CE 3.92Å; L500-M602 HydrophobicContact CD2-CG 3.42Å; L500-M602 VanDerWaalsContact CD2-CG 3.42Å; L500-M602 HydrophobicContact CG-CE 3.59Å; L500-M602 HydrophobicContact CG-CG 3.93Å; L500-M602 HydrophobicContact CG-SD 4.49Å; S600-M602 PolarHBondContact O-N 2.64Å; M602-R604 VanDerWaalsContact C-N 3.3Å; M602-R604 PolarHBondContact O-N 3.44Å; M602-L605 PolarHBondContact O-N 3.27Å; M602-L606 HydrophobicContact CE-CD1 3.97Å; M602-L606 HydrophobicContact CE-CD2 4.08Å; M602-L606 HydrophobicContact CE-CG 3.9Å; M602-L606 HydrophobicContact CG-CD1 4.28Å; M602-L606 WeakPolarHBondContact O-CB 3.22Å; M602-L606 WeakPolarHBondContact O-CG 3.5Å; M602-L606 PolarHBondContact O-N 3.35Å
603R84.3Confident84.1Confident47 Ų4750.7 Ų50.718%0.17724%0.239CC..Hα-helixtrans-57.7-43.9175.2-175.4170.4171.7-98.810.4112.4D553 V596 Q598 S600 L606 I607D553-R603 IonicContact OD2-CZ 2.72Å; D553-R603 IonicContact OD2-NE 2.66Å; D553-R603 PolarHBondContact OD2-NE 2.77Å; D553-R603 IonicContact OD2-NH2 3Å; V596-R603 HydrophobicContact CG1-CB 3.52Å; V596-R603 HydrophobicContact CG1-CG 3.78Å; Q598-R603 WeakPolarHBondContact O-CD 3.3Å; Q598-R603 VanDerWaalsContact OE1-NE 3.14Å; S600-R603 PolarHBondContact O-N 3.41Å; S600-R603 PolarHBondContact OG-N 3.45Å; R603-L606 PolarHBondContact O-N 3.21Å; R603-I607 HydrophobicContact CG-CD1 3.82Å; R603-I607 VanDerWaalsContact O-CG1 3.31Å; R603-I607 WeakPolarHBondContact O-CG1 3.42Å; R603-I607 PolarHBondContact O-N 3.2Å
604R84.2Confident84.3Confident170 Ų17050.7 Ų50.764%0.64224%0.239SC*.Hα-helixtrans-60.8-47.8179-158.1-178.2-164.7143.44.4110.9S600 K601 M602 L606 I607 E608S600-R604 PolarHBondContact O-N 2.89Å; K601-R604 WeakPolarHBondContact O-CB 3.35Å; K601-R604 PolarHBondContact O-N 3.3Å; M602-R604 VanDerWaalsContact C-N 3.3Å; M602-R604 PolarHBondContact O-N 3.44Å; R604-L606 PolarHBondContact O-N 2.93Å; R604-I607 PolarHBondContact O-N 3.4Å; R604-E608 VanDerWaalsContact CG-OE1 3.31Å; R604-E608 WeakPolarHBondContact CG-OE1 3.33Å; R604-E608 IonicContact NE-OE1 2.62Å; R604-E608 PolarHBondContact NE-OE1 2.78Å; R604-E608 WeakPolarHBondContact O-CB 3.17Å; R604-E608 VanDerWaalsContact O-CG 3.31Å; R604-E608 WeakPolarHBondContact O-CG 3.43Å; R604-E608 PolarHBondContact O-N 3.49Å
605L84.8Confident84.4Confident43 Ų4356.2 Ų56.223%0.22526%0.26CS..Hα-helixtrans-65.3-36.8177.3-66.6171.4000112.7L496 K601 M602 N609L496-L605 HydrophobicContact CD1-CB 3.41Å; L496-L605 VanDerWaalsContact CD1-CB 3.41Å; L496-L605 HydrophobicContact CG-CB 4.31Å; K601-L605 HydrophobicContact CD-CD1 4.46Å; K601-L605 HydrophobicContact CG-CD1 4.02Å; K601-L605 HydrophobicContact CG-CG 4.35Å; K601-L605 WeakPolarHBondContact O-CG 3.24Å; K601-L605 PolarHBondContact O-N 3.03Å; M602-L605 PolarHBondContact O-N 3.27Å; L605-N609 WeakPolarHBondContact O-CB 3.13Å; L605-N609 PolarHBondContact O-N 3.23Å
606L86.3Confident84.5Confident2 Ų260.9 Ų60.91%0.0129%0.293CS..Iπ-helixtrans-61.9-46.6174-78.7168000111L496 L500 I555 V596 M602 R603 R604 V610 F611L496-L606 HydrophobicContact CD1-CD2 4.05Å; L496-L606 HydrophobicContact CD1-CG 3.94Å; L500-L606 HydrophobicContact CD2-CD1 4.37Å; I555-L606 HydrophobicContact CD1-CD1 4.04Å; V596-L606 HydrophobicContact CB-CD1 4.49Å; V596-L606 HydrophobicContact CG1-CD1 3.9Å; V596-L606 HydrophobicContact CG2-CD1 3.7Å; M602-L606 HydrophobicContact CE-CD1 3.97Å; M602-L606 HydrophobicContact CE-CD2 4.08Å; M602-L606 HydrophobicContact CE-CG 3.9Å; M602-L606 HydrophobicContact CG-CD1 4.28Å; M602-L606 WeakPolarHBondContact O-CB 3.22Å; M602-L606 WeakPolarHBondContact O-CG 3.5Å; M602-L606 PolarHBondContact O-N 3.35Å; R603-L606 PolarHBondContact O-N 3.21Å; R604-L606 PolarHBondContact O-N 2.93Å; L606-V610 HydrophobicContact CD2-CB 4.07Å; L606-V610 HydrophobicContact CD2-CG1 4.19Å; L606-V610 HydrophobicContact CD2-CG2 4.11Å; L606-V610 PolarHBondContact O-N 3.43Å; L606-F611 HydrophobicContact CB-CD1 4.44Å; L606-F611 HydrophobicContact CB-CE1 4.06Å; L606-F611 HydrophobicContact CB-CZ 4.12Å; L606-F611 HydrophobicContact CD2-CE1 4.31Å; L606-F611 WeakPolarHBondContact O-CB 3.28Å; L606-F611 VanDerWaalsContact O-CG 3.27Å; L606-F611 WeakPolarHBondContact O-CG 3.42Å; L606-F611 PolarHBondContact O-N 3.34Å
607I86.8Confident84.5Confident65 Ų6564 Ų6433%0.33331%0.312SS..Iπ-helixtrans-68.8-39.4-179.5-66.7168.6000112R603 R604 F611 P612R603-I607 HydrophobicContact CG-CD1 3.82Å; R603-I607 VanDerWaalsContact O-CG1 3.31Å; R603-I607 WeakPolarHBondContact O-CG1 3.42Å; R603-I607 PolarHBondContact O-N 3.2Å; R604-I607 PolarHBondContact O-N 3.4Å; I607-F611 HydrophobicContact CB-CD2 4.33Å; I607-F611 HydrophobicContact CG1-CD2 3.8Å; I607-F611 HydrophobicContact CG1-CE2 3.79Å; I607-P612 WeakPolarHBondContact O-CD 3.07Å
608E86.4Confident84.7Confident107 Ų10763.7 Ų63.750%0.533%0.325SS..Iπ-helixtrans-80.8-44.4-175.9-71.6173-177.700112.9R604 P612R604-E608 VanDerWaalsContact CG-OE1 3.31Å; R604-E608 WeakPolarHBondContact CG-OE1 3.33Å; R604-E608 IonicContact NE-OE1 2.62Å; R604-E608 PolarHBondContact NE-OE1 2.78Å; R604-E608 WeakPolarHBondContact O-CB 3.17Å; R604-E608 VanDerWaalsContact O-CG 3.31Å; R604-E608 WeakPolarHBondContact O-CG 3.43Å; R604-E608 PolarHBondContact O-N 3.49Å; E608-P612 WeakPolarHBondContact O-CG 3.36Å
609N86.5Confident85.2Confident72 Ų7263.8 Ų63.839%0.38533%0.326SS..Iπ-helixtrans-108.2-31.2-167.9-60.8-19.3000114.1L605L605-N609 WeakPolarHBondContact O-CB 3.13Å; L605-N609 PolarHBondContact O-N 3.23Å
610V88Confident85.8Confident0 Ų056.4 Ų56.40%029%0.292CS..Iπ-helixtrans-102.3-52.5-168.6-176.30000111.7L495 L496 C519 L606 P612 V613 W614L495-V610 HydrophobicContact CB-CG2 4.04Å; L496-V610 HydrophobicContact CB-CG2 3.49Å; L496-V610 VanDerWaalsContact CB-CG2 3.49Å; L496-V610 HydrophobicContact CD1-CG2 3.81Å; L496-V610 HydrophobicContact CG-CG2 4.26Å; C519-V610 HydrophobicContact CB-CG1 3.97Å; C519-V610 HydrophobicContact CB-CG2 3.98Å; L606-V610 HydrophobicContact CD2-CB 4.07Å; L606-V610 HydrophobicContact CD2-CG1 4.19Å; L606-V610 HydrophobicContact CD2-CG2 4.11Å; L606-V610 PolarHBondContact O-N 3.43Å; V610-P612 VanDerWaalsContact C-CD 3.48Å; V610-V613 PolarHBondContact O-N 2.92Å; V610-V613 VanDerWaalsContact O-N 3.13Å; V610-W614 HydrophobicContact CG1-CD2 3.43Å; V610-W614 VanDerWaalsContact CG1-CD2 3.43Å; V610-W614 HydrophobicContact CG1-CE3 3.57Å; V610-W614 HydrophobicContact CG1-CG 4.17Å; V610-W614 HydrophobicContact CG1-CH2 3.55Å; V610-W614 HydrophobicContact CG1-CZ2 3.4Å; V610-W614 HydrophobicContact CG1-CZ3 3.62Å; V610-W614 PolarHBondContact O-N 3.28Å
611F90Very high86Confident3 Ų359.1 Ų59.11%0.01330%0.302CS..Hα-helixtrans-59.6-37.9-177.2-69.3-6.5000114.2H543 I555 L606 I607 V613 W614 R615 L620H543-F611 AromaticContact CE1-CE2 3.64Å; H543-F611 AromaticContact CG-CZ 3.99Å; H543-F611 AromaticContact ND1-CE2 3.64Å; H543-F611 AromaticContact NE2-CE2 4Å; I555-F611 HydrophobicContact CD1-CE1 3.96Å; I555-F611 HydrophobicContact CD1-CZ 3.93Å; L606-F611 HydrophobicContact CB-CD1 4.44Å; L606-F611 HydrophobicContact CB-CE1 4.06Å; L606-F611 HydrophobicContact CB-CZ 4.12Å; L606-F611 HydrophobicContact CD2-CE1 4.31Å; L606-F611 WeakPolarHBondContact O-CB 3.28Å; L606-F611 VanDerWaalsContact O-CG 3.27Å; L606-F611 WeakPolarHBondContact O-CG 3.42Å; L606-F611 PolarHBondContact O-N 3.34Å; I607-F611 HydrophobicContact CB-CD2 4.33Å; I607-F611 HydrophobicContact CG1-CD2 3.8Å; I607-F611 HydrophobicContact CG1-CE2 3.79Å; F611-V613 VanDerWaalsContact C-N 3.32Å; F611-V613 PolarHBondContact O-N 3.28Å; F611-W614 HydrophobicContact CD1-CE3 4.26Å; F611-W614 HydrophobicContact CE1-CZ3 4.49Å; F611-R615 WeakPolarHBondContact O-CB 3.25Å; F611-R615 VanDerWaalsContact O-CG 3.25Å; F611-R615 WeakPolarHBondContact O-CG 3.27Å; F611-R615 PolarHBondContact O-N 3.23Å; F611-L620 HydrophobicContact CB-CD2 3.6Å; F611-L620 HydrophobicContact CD1-CD1 4.47Å; F611-L620 HydrophobicContact CD1-CD2 3.53Å; F611-L620 HydrophobicContact CD2-CD2 4.18Å; F611-L620 HydrophobicContact CE1-CD1 4.47Å; F611-L620 HydrophobicContact CE1-CD2 4.19Å; F611-L620 HydrophobicContact CG-CD2 3.51Å
612P88.9Confident85.8Confident61 Ų6156 Ų5640%0.39630%0.296SS..Hα-helixtrans-62.4-40.7175.5-24.336.7000112.1I607 E608 V610 S616I607-P612 WeakPolarHBondContact O-CD 3.07Å; E608-P612 WeakPolarHBondContact O-CG 3.36Å; V610-P612 VanDerWaalsContact C-CD 3.48Å; P612-S616 WeakPolarHBondContact O-CB 3.24Å; P612-S616 PolarHBondContact O-N 3.48Å
613V87Confident85.6Confident29 Ų2957.1 Ų57.118%0.17630%0.304CS..Hα-helixtrans-66.8-51.2178.2-178.90000110L495 V610 F611 R615 S616 T617L495-V613 HydrophobicContact CD1-CB 3.96Å; L495-V613 HydrophobicContact CD1-CG1 3.92Å; L495-V613 HydrophobicContact CD1-CG2 4.15Å; L495-V613 HydrophobicContact CD2-CG2 4.09Å; V610-V613 PolarHBondContact O-N 2.92Å; V610-V613 VanDerWaalsContact O-N 3.13Å; F611-V613 VanDerWaalsContact C-N 3.32Å; F611-V613 PolarHBondContact O-N 3.28Å; V613-R615 VanDerWaalsContact C-N 3.3Å; V613-R615 PolarHBondContact O-N 2.97Å; V613-S616 PolarHBondContact O-N 2.64Å; V613-S616 PolarHBondContact O-OG 3.39Å; V613-T617 PolarHBondContact O-N 3.38Å; V613-T617 PolarHBondContact O-OG1 3.2Å
614W89.9Confident84.8Confident5 Ų561 Ų612%0.01934%0.339CS..Hα-helixtrans-65.3-29.6179.5-67.1-12.9000113.6C519 Y520 H521 I524 I541 V610 F611 T617 G618 L619 L620C519-W614 HydrophobicContact CB-CH2 4.38Å; C519-W614 HydrophobicContact CB-CZ2 3.9Å; Y520-W614 PolarHBondContact O-NE1 2.69Å; Y520-W614 VanDerWaalsContact O-NE1 3.08Å; H521-W614 VanDerWaalsContact O-CD1 3.26Å; H521-W614 PolarHBondContact O-NE1 3.44Å; I524-W614 HydrophobicContact CD1-CH2 3.65Å; I524-W614 HydrophobicContact CD1-CZ2 3.84Å; I524-W614 HydrophobicContact CG1-CH2 4.11Å; I524-W614 HydrophobicContact CG1-CZ2 3.85Å; I541-W614 HydrophobicContact CD1-CD2 3.65Å; I541-W614 HydrophobicContact CD1-CE3 3.43Å; I541-W614 VanDerWaalsContact CD1-CE3 3.43Å; I541-W614 HydrophobicContact CD1-CG 4.41Å; I541-W614 HydrophobicContact CD1-CH2 3.77Å; I541-W614 HydrophobicContact CD1-CZ2 3.97Å; I541-W614 HydrophobicContact CD1-CZ3 3.51Å; I541-W614 HydrophobicContact CG2-CE3 4.26Å; I541-W614 HydrophobicContact CG2-CZ3 4.16Å; V610-W614 HydrophobicContact CG1-CD2 3.43Å; V610-W614 VanDerWaalsContact CG1-CD2 3.43Å; V610-W614 HydrophobicContact CG1-CE3 3.57Å; V610-W614 HydrophobicContact CG1-CG 4.17Å; V610-W614 HydrophobicContact CG1-CH2 3.55Å; V610-W614 HydrophobicContact CG1-CZ2 3.4Å; V610-W614 HydrophobicContact CG1-CZ3 3.62Å; V610-W614 PolarHBondContact O-N 3.28Å; F611-W614 HydrophobicContact CD1-CE3 4.26Å; F611-W614 HydrophobicContact CE1-CZ3 4.49Å; W614-T617 WeakPolarHBondContact CA-OG1 3.38Å; W614-T617 PolarHBondContact O-OG1 3.03Å; W614-G618 PolarHBondContact O-N 3.12Å; W614-L619 HydrophobicContact CB-CB 4.23Å; W614-L619 HydrophobicContact CD2-CD2 4.4Å; W614-L619 HydrophobicContact CG-CD2 4.03Å; W614-L619 WeakPolarHBondContact O-CA 3.34Å; W614-L619 PolarHBondContact O-N 2.98Å; W614-L620 HydrophobicContact CB-CB 3.7Å; W614-L620 HydrophobicContact CE3-CD1 4.46Å; W614-L620 PolarHBondContact O-N 3.17Å
615R88.8Confident84.1Confident120 Ų12057.4 Ų57.445%0.45333%0.328SS..Hα-helixtrans-68.7-42169.9-74.8-178.6-167.7112.14.1111.7F611 V613 T617 G618 L620F611-R615 WeakPolarHBondContact O-CB 3.25Å; F611-R615 VanDerWaalsContact O-CG 3.25Å; F611-R615 WeakPolarHBondContact O-CG 3.27Å; F611-R615 PolarHBondContact O-N 3.23Å; V613-R615 VanDerWaalsContact C-N 3.3Å; V613-R615 PolarHBondContact O-N 2.97Å; R615-T617 VanDerWaalsContact C-N 3.28Å; R615-T617 PolarHBondContact O-N 3.22Å; R615-G618 PolarHBondContact O-N 2.94Å; R615-G618 VanDerWaalsContact O-N 3.1Å; R615-L620 HydrophobicContact CG-CB 4.06Å; R615-L620 HydrophobicContact CG-CD2 3.93Å; R615-L620 HydrophobicContact CG-CG 4.34Å
616S86.2Confident83.6Confident99 Ų9963.9 Ų63.969%0.69235%0.354SS*.Hα-helixtrans-65.6-30.5-179.8740000113.2P612 V613 G618P612-S616 WeakPolarHBondContact O-CB 3.24Å; P612-S616 PolarHBondContact O-N 3.48Å; V613-S616 PolarHBondContact O-N 2.64Å; V613-S616 PolarHBondContact O-OG 3.39Å; S616-G618 VanDerWaalsContact C-N 3.32Å
617T84.7Confident83.1Confident68 Ų6865.5 Ų65.542%0.41737%0.365SS..THydrogen-bonded Turntrans-83.7-6174.857.40000113.4V613 W614 R615 L619V613-T617 PolarHBondContact O-N 3.38Å; V613-T617 PolarHBondContact O-OG1 3.2Å; W614-T617 WeakPolarHBondContact CA-OG1 3.38Å; W614-T617 PolarHBondContact O-OG1 3.03Å; R615-T617 VanDerWaalsContact C-N 3.28Å; R615-T617 PolarHBondContact O-N 3.22Å; T617-L619 VanDerWaalsContact C-N 3.27Å; T617-L619 WeakPolarHBondContact OG1-CB 3.29Å
618G83.8Confident82.5Confident51 Ų5164.5 Ų64.553%0.52636%0.36SS..THydrogen-bonded Turntrans74.514.5-174.200000114.2W614 R615 S616W614-G618 PolarHBondContact O-N 3.12Å; R615-G618 PolarHBondContact O-N 2.94Å; R615-G618 VanDerWaalsContact O-N 3.1Å; S616-G618 VanDerWaalsContact C-N 3.32Å
619L85Confident81.8Confident18 Ų1866.2 Ų66.29%0.09437%0.368CS..  trans-82.9-31.9-178.5-170.467.9000112.7P538 I541 W614 T617P538-L619 HydrophobicContact CG-CD1 4.48Å; P538-L619 HydrophobicContact CG-CD2 4.27Å; P538-L619 VanDerWaalsContact O-CD1 3.29Å; P538-L619 WeakPolarHBondContact O-CD1 3.15Å; I541-L619 WeakPolarHBondContact CB-O 3.47Å; I541-L619 HydrophobicContact CD1-CD2 3.62Å; I541-L619 HydrophobicContact CD1-CG 3.78Å; I541-L619 HydrophobicContact CG1-CD1 4.49Å; I541-L619 HydrophobicContact CG1-CD2 4.31Å; I541-L619 HydrophobicContact CG1-CG 3.95Å; I541-L619 PolarHBondContact N-O 3.31Å; W614-L619 HydrophobicContact CB-CB 4.23Å; W614-L619 HydrophobicContact CD2-CD2 4.4Å; W614-L619 HydrophobicContact CG-CD2 4.03Å; W614-L619 WeakPolarHBondContact O-CA 3.34Å; W614-L619 PolarHBondContact O-N 2.98Å; T617-L619 VanDerWaalsContact C-N 3.27Å; T617-L619 WeakPolarHBondContact OG1-CB 3.29Å
620L88.3Confident81.1Confident12 Ų1263.8 Ų63.86%0.06336%0.356CS..EExtended strand (participates in β ladder)trans-101.6120.9-178.4-173.170.7000112.7I541 H543 F611 W614 R615I541-L620 HydrophobicContact CB-CD1 4Å; I541-L620 HydrophobicContact CG2-CD1 3.54Å; I541-L620 CarbonylContact O-C 3.27Å; I541-L620 WeakPolarHBondContact O-CA 3.43Å; H543-L620 HydrophobicContact CB-CD1 3.92Å; F611-L620 HydrophobicContact CB-CD2 3.6Å; F611-L620 HydrophobicContact CD1-CD1 4.47Å; F611-L620 HydrophobicContact CD1-CD2 3.53Å; F611-L620 HydrophobicContact CD2-CD2 4.18Å; F611-L620 HydrophobicContact CE1-CD1 4.47Å; F611-L620 HydrophobicContact CE1-CD2 4.19Å; F611-L620 HydrophobicContact CG-CD2 3.51Å; W614-L620 HydrophobicContact CB-CB 3.7Å; W614-L620 HydrophobicContact CE3-CD1 4.46Å; W614-L620 PolarHBondContact O-N 3.17Å; R615-L620 HydrophobicContact CG-CB 4.06Å; R615-L620 HydrophobicContact CG-CD2 3.93Å; R615-L620 HydrophobicContact CG-CG 4.34Å
621E82.8Confident80.4Confident87 Ų8763.8 Ų63.841%0.40736%0.356SS..EExtended strand (participates in β ladder)trans-117.1153.2173.8-70.1177172.500111K540 I541 N542 H543K540-E621 IonicContact NZ-OE1 3.91Å; K540-E621 PolarHBondContact NZ-OE1 3.35Å; K540-E621 IonicContact NZ-OE2 3.1Å; K540-E621 PolarHBondContact NZ-OE2 2.83Å; I541-E621 PolarHBondContact O-N 3.48Å; N542-E621 WeakPolarHBondContact CA-O 3.05Å; H543-E621 PolarHBondContact N-O 3.37Å
622V79.1Confident79.6Confident103 Ų10367 Ų6762%0.62438%0.376SS*.  trans-103.4105166.4-179.90000106.6
623P75.1Confident78.8Confident37 Ų3766.5 Ų66.524%0.2437%0.368CS..  trans-73.3154.1-176.432.1-38.6000111.6N542 F544N542-P623 HydrophobicContact CB-CG 3.88Å; F544-P623 HydrophobicContact CD1-CG 3.53Å; F544-P623 HydrophobicContact CD2-CG 4.16Å; F544-P623 HydrophobicContact CE1-CB 4.04Å; F544-P623 HydrophobicContact CE1-CG 3.2Å; F544-P623 HydrophobicContact CE2-CG 3.85Å; F544-P623 HydrophobicContact CG-CG 4.02Å; F544-P623 HydrophobicContact CZ-CB 4.19Å; F544-P623 HydrophobicContact CZ-CG 3.38Å
624S68Low78.1Confident128 Ų12865.1 Ų65.190%0.89536%0.359SS*.SBendtrans-85.2-19.8169.256.70000113.1
625K70.7Confident77.3Confident95 Ų9565.2 Ų65.241%0.41336%0.361SS..SBendtrans-71.6160.9179.9-68.2-172.4-177.4-177.10111.6F544 D584F544-K625 VanDerWaalsContact CE1-O 3.23Å; F544-K625 WeakPolarHBondContact CE1-O 3.27Å; D584-K625 IonicContact OD1-NZ 3.24Å; D584-K625 PolarHBondContact OD1-NZ 3.26Å
626K74Confident76.5Confident180 Ų18062.5 Ų62.578%0.78335%0.353SS*.PPolyproline II helixtrans-84149172.7-71.4-175.4179.7178.60110.8
627P75.6Confident75.7Confident36 Ų3658.5 Ų58.523%0.23432%0.323CS..PPolyproline II helixtrans-57.9158.8171.9-20.830.4000113F544 L554 W593F544-P627 HydrophobicContact CB-CG 4.05Å; F544-P627 HydrophobicContact CD1-CG 3.65Å; F544-P627 HydrophobicContact CE1-CG 4.15Å; F544-P627 HydrophobicContact CG-CG 3.85Å; L554-P627 HydrophobicContact CD1-CB 3.74Å; L554-P627 HydrophobicContact CD1-CG 3.8Å; W593-P627 HydrophobicContact CH2-CB 3.86Å; W593-P627 HydrophobicContact CZ3-CB 3.77Å
628N74.6Confident75.1Confident43 Ų4355.3 Ų55.323%0.2330%0.304CS..PPolyproline II helixtrans-56.7146.4170.1-174.3-30.6000110.9E582 W593 C630 A631 T632E582-N628 WeakPolarHBondContact OE1-CB 3.29Å; E582-N628 PolarHBondContact OE1-ND2 3.37Å; W593-N628 HydrophobicContact CZ2-CB 3.97Å; N628-C630 PolarHBondContact O-N 2.93Å; N628-C630 PolarHBondContact OD1-N 2.8Å; N628-A631 HydrophobicContact CB-CB 4.45Å; N628-A631 PolarHBondContact O-N 3.26Å; N628-T632 PolarHBondContact O-N 2.76Å; N628-T632 PolarHBondContact O-OG1 3.14Å
629H71.7Confident74.6Confident144 Ų14454.5 Ų54.567%0.66729%0.285SS*.Hα-helixtrans-52.9-40.9175.2175.6-84.9000112.4T632 K633H629-T632 PolarHBondContact O-N 3.19Å; H629-K633 WeakPolarHBondContact O-CB 3.07Å; H629-K633 PolarHBondContact O-N 3.02Å
630C72.1Confident73.9Confident21 Ų2153.7 Ų53.714%0.14228%0.281CS..Hα-helixtrans-64.9-45179.8-58.10000111.7V505 N628 T632 K633 A634V505-C630 HydrophobicContact CG1-CB 4.17Å; V505-C630 HydrophobicContact CG2-CB 3.78Å; N628-C630 PolarHBondContact O-N 2.93Å; N628-C630 PolarHBondContact OD1-N 2.8Å; C630-T632 VanDerWaalsContact C-N 3.33Å; C630-T632 PolarHBondContact O-N 2.7Å; C630-K633 PolarHBondContact O-N 3.43Å; C630-A634 WeakPolarHBondContact O-CB 3.35Å; C630-A634 PolarHBondContact O-N 3.08Å
631A73.1Confident72.9Confident0 Ų053.5 Ų53.50%028%0.28CS..Hα-helixtrans-65.7-36176.300000112.1L554 W593 N628 A634 S635L554-A631 HydrophobicContact CD1-CB 4.18Å; L554-A631 HydrophobicContact CD2-CB 4.36Å; W593-A631 HydrophobicContact CB-CB 4.25Å; W593-A631 HydrophobicContact CD2-CB 3.53Å; W593-A631 HydrophobicContact CE3-CB 3.45Å; W593-A631 VanDerWaalsContact CE3-CB 3.45Å; W593-A631 HydrophobicContact CG-CB 3.91Å; W593-A631 HydrophobicContact CZ3-CB 4.03Å; N628-A631 HydrophobicContact CB-CB 4.45Å; N628-A631 PolarHBondContact O-N 3.26Å; A631-A634 WeakPolarHBondContact O-CB 3.16Å; A631-A634 PolarHBondContact O-N 3.07Å; A631-S635 WeakPolarHBondContact O-CB 3.13Å; A631-S635 PolarHBondContact O-N 3.41Å
632T72.3Confident72.1Confident69 Ų6950.5 Ų50.542%0.42327%0.266SS..Hα-helixtrans-65.9-44.6175.2-53.50000111.4N628 H629 C630 A634 S635 F636N628-T632 PolarHBondContact O-N 2.76Å; N628-T632 PolarHBondContact O-OG1 3.14Å; H629-T632 PolarHBondContact O-N 3.19Å; C630-T632 VanDerWaalsContact C-N 3.33Å; C630-T632 PolarHBondContact O-N 2.7Å; T632-A634 VanDerWaalsContact C-N 3.28Å; T632-A634 PolarHBondContact O-N 3.38Å; T632-S635 PolarHBondContact O-N 2.92Å; T632-F636 WeakPolarHBondContact O-CB 3.27Å; T632-F636 PolarHBondContact O-N 3.04Å
633K71.4Confident71.5Confident51 Ų5148.4 Ų48.422%0.22225%0.249CC..Hα-helixtrans-61.1-38.4173.6-171.4175.1-179.5177.50111.2M510 H629 C630 F636 I637 E695M510-K633 HydrophobicContact SD-CB 4.5Å; M510-K633 HydrophobicContact SD-CG 4.41Å; H629-K633 WeakPolarHBondContact O-CB 3.07Å; H629-K633 PolarHBondContact O-N 3.02Å; C630-K633 PolarHBondContact O-N 3.43Å; K633-F636 WeakPolarHBondContact O-CB 3.5Å; K633-F636 PolarHBondContact O-N 3.28Å; K633-I637 HydrophobicContact CG-CD1 4Å; K633-I637 VanDerWaalsContact O-CG1 3.31Å; K633-I637 WeakPolarHBondContact O-CG1 3.41Å; K633-I637 PolarHBondContact O-N 3.41Å; K633-E695 IonicContact NZ-OE1 3.77Å
634A72.9Confident70.8Confident0 Ų049 Ų490%025%0.249CC..Hα-helixtrans-66.7-46.1177.600000113.4V503 M510 L512 I595 C630 A631 T632 F636 I637 S638V503-A634 HydrophobicContact CB-CB 4.21Å; V503-A634 HydrophobicContact CG1-CB 3.64Å; V503-A634 HydrophobicContact CG2-CB 3.5Å; V503-A634 VanDerWaalsContact CG2-CB 3.5Å; M510-A634 HydrophobicContact CG-CB 3.77Å; M510-A634 WeakPolarHBondContact SD-CA 3.37Å; M510-A634 HydrophobicContact SD-CB 3.29Å; M510-A634 WeakPolarHBondContact SD-CB 3.09Å; M510-A634 PolarHBondContact SD-N 3.25Å; L512-A634 HydrophobicContact CD2-CB 4.03Å; I595-A634 HydrophobicContact CD1-CB 3.73Å; C630-A634 WeakPolarHBondContact O-CB 3.35Å; C630-A634 PolarHBondContact O-N 3.08Å; A631-A634 WeakPolarHBondContact O-CB 3.16Å; A631-A634 PolarHBondContact O-N 3.07Å; T632-A634 VanDerWaalsContact C-N 3.28Å; T632-A634 PolarHBondContact O-N 3.38Å; A634-F636 VanDerWaalsContact C-N 3.27Å; A634-F636 PolarHBondContact O-N 2.88Å; A634-I637 PolarHBondContact O-N 3.41Å; A634-S638 WeakPolarHBondContact O-CB 3.48Å; A634-S638 PolarHBondContact O-N 3.25Å
635S73Confident70.3Confident8 Ų846 Ų466%0.05622%0.219CC..Hα-helixtrans-56.3-44.2171.91720000111.1P552 A631 T632 Y639P552-S635 WeakPolarHBondContact CD-OG 3.31Å; P552-S635 WeakPolarHBondContact CG-O 3.43Å; P552-S635 WeakPolarHBondContact CG-OG 3.35Å; P552-S635 PolarHBondContact O-OG 3.38Å; A631-S635 WeakPolarHBondContact O-CB 3.13Å; A631-S635 PolarHBondContact O-N 3.41Å; T632-S635 PolarHBondContact O-N 2.92Å; S635-Y639 VanDerWaalsContact O-CB 3.24Å; S635-Y639 WeakPolarHBondContact O-CB 3.4Å; S635-Y639 PolarHBondContact O-N 3.35Å
636F71.3Confident69.7Low63 Ų6344.8 Ų44.828%0.27622%0.223SC..Hα-helixtrans-62.6-43.4176.6-179-98.2000112.9T632 K633 A634 H640 R690 I691T632-F636 WeakPolarHBondContact O-CB 3.27Å; T632-F636 PolarHBondContact O-N 3.04Å; K633-F636 WeakPolarHBondContact O-CB 3.5Å; K633-F636 PolarHBondContact O-N 3.28Å; A634-F636 VanDerWaalsContact C-N 3.27Å; A634-F636 PolarHBondContact O-N 2.88Å; F636-H640 AromaticContact CD1-CD2 3.81Å; F636-H640 AromaticContact CD2-CD2 3.87Å; F636-H640 AromaticContact CD2-NE2 3.95Å; F636-H640 AromaticContact CE1-CD2 3.44Å; F636-H640 VanDerWaalsContact CE1-CD2 3.44Å; F636-H640 WeakPolarHBondContact CE1-CD2 3.43Å; F636-H640 AromaticContact CE1-NE2 3.82Å; F636-H640 AromaticContact CE2-CD2 3.51Å; F636-H640 AromaticContact CE2-NE2 3.2Å; F636-H640 WeakPolarHBondContact CE2-NE2 3.31Å; F636-H640 AromaticContact CZ-CD2 3.29Å; F636-H640 WeakPolarHBondContact CZ-CD2 3.43Å; F636-H640 AromaticContact CZ-NE2 3.13Å; F636-H640 WeakPolarHBondContact CZ-NE2 3.09Å; F636-H640 PolarHBondContact O-CD2 3.25Å; F636-H640 VanDerWaalsContact O-CD2 3.24Å; F636-H640 PolarHBondContact O-N 3.43Å; F636-H640 VanDerWaalsContact O-N 3.08Å; F636-R690 HydrophobicContact CZ-CG 4.2Å; F636-I691 HydrophobicContact CE1-CG1 4.28Å
637I70.8Confident68.8Low15 Ų1542 Ų428%0.07721%0.211CC..Hα-helixtrans-66.4-48.1178.2-70.7166.7000110.8M510 L512 K633 A634 Y639 H640 L641 I691M510-I637 HydrophobicContact CE-CB 4.39Å; M510-I637 HydrophobicContact CE-CD1 3.28Å; M510-I637 HydrophobicContact CE-CG1 4.38Å; M510-I637 HydrophobicContact CE-CG2 4.43Å; M510-I637 HydrophobicContact SD-CD1 3.69Å; L512-I637 HydrophobicContact CD1-CB 4.4Å; L512-I637 HydrophobicContact CD1-CG2 3.86Å; K633-I637 HydrophobicContact CG-CD1 4Å; K633-I637 VanDerWaalsContact O-CG1 3.31Å; K633-I637 WeakPolarHBondContact O-CG1 3.41Å; K633-I637 PolarHBondContact O-N 3.41Å; A634-I637 PolarHBondContact O-N 3.41Å; I637-Y639 VanDerWaalsContact C-N 3.33Å; I637-Y639 PolarHBondContact O-N 2.95Å; I637-H640 PolarHBondContact O-N 3.26Å; I637-H640 VanDerWaalsContact O-N 3.15Å; I637-L641 HydrophobicContact CG2-CD1 4.05Å; I637-L641 WeakPolarHBondContact O-CG 3.1Å; I637-L641 PolarHBondContact O-N 3.4Å; I637-I691 HydrophobicContact CB-CD1 4.45Å; I637-I691 HydrophobicContact CD1-CG2 3.8Å; I637-I691 HydrophobicContact CG1-CD1 3.8Å; I637-I691 HydrophobicContact CG1-CG1 3.83Å; I637-I691 HydrophobicContact CG1-CG2 3.92Å; I637-I691 HydrophobicContact CG2-CD1 4.22Å
638S72.6Confident67.6Low1 Ų143.1 Ų43.11%0.00722%0.217CC..Hα-helixtrans-59.2-44178.2-176.50000111.4E501 A634 H640 L641 E642E501-S638 WeakPolarHBondContact OE2-CB 3.41Å; E501-S638 PolarHBondContact OE2-OG 3.19Å; A634-S638 WeakPolarHBondContact O-CB 3.48Å; A634-S638 PolarHBondContact O-N 3.25Å; S638-H640 PolarHBondContact O-N 3.36Å; S638-L641 PolarHBondContact O-N 3.42Å; S638-E642 WeakPolarHBondContact O-CG 3.35Å; S638-E642 PolarHBondContact O-N 2.95Å
639Y73.4Confident66.2Low33 Ų3345.3 Ų45.313%0.12923%0.232CC..Hα-helixtrans-56.4-46.7173.2174-111.2000113.3S550 Q551 S635 I637 L641 E642 Q643S550-Y639 WeakPolarHBondContact CB-OH 3.31Å; S550-Y639 WeakPolarHBondContact O-CD2 3.48Å; S550-Y639 WeakPolarHBondContact O-CE2 3.47Å; S550-Y639 WeakPolarHBondContact OG-CE2 3.35Å; S550-Y639 PolarHBondContact OG-OH 3.01Å; Q551-Y639 HydrophobicContact CG-CD2 4.37Å; Q551-Y639 HydrophobicContact CG-CG 4.35Å; S635-Y639 VanDerWaalsContact O-CB 3.24Å; S635-Y639 WeakPolarHBondContact O-CB 3.4Å; S635-Y639 PolarHBondContact O-N 3.35Å; I637-Y639 VanDerWaalsContact C-N 3.33Å; I637-Y639 PolarHBondContact O-N 2.95Å; Y639-L641 VanDerWaalsContact C-N 3.35Å; Y639-E642 PolarHBondContact O-N 3.27Å; Y639-Q643 HydrophobicContact CE1-CG 4.39Å; Y639-Q643 VanDerWaalsContact CE1-NE2 3.3Å; Y639-Q643 HydrophobicContact CE2-CG 4.23Å; Y639-Q643 PolarHBondContact O-N 3.44Å; Y639-Q643 PolarHBondContact OH-NE2 3.26Å
640H69.3Low64.8Low2 Ų241.7 Ų41.71%0.00922%0.223CC..Hα-helixtrans-65.8-39.3-179-91.2-60.2000112.2F636 I637 S638 E644 N687 R690F636-H640 AromaticContact CD1-CD2 3.81Å; F636-H640 AromaticContact CD2-CD2 3.87Å; F636-H640 AromaticContact CD2-NE2 3.95Å; F636-H640 AromaticContact CE1-CD2 3.44Å; F636-H640 VanDerWaalsContact CE1-CD2 3.44Å; F636-H640 WeakPolarHBondContact CE1-CD2 3.43Å; F636-H640 AromaticContact CE1-NE2 3.82Å; F636-H640 AromaticContact CE2-CD2 3.51Å; F636-H640 AromaticContact CE2-NE2 3.2Å; F636-H640 WeakPolarHBondContact CE2-NE2 3.31Å; F636-H640 AromaticContact CZ-CD2 3.29Å; F636-H640 WeakPolarHBondContact CZ-CD2 3.43Å; F636-H640 AromaticContact CZ-NE2 3.13Å; F636-H640 WeakPolarHBondContact CZ-NE2 3.09Å; F636-H640 PolarHBondContact O-CD2 3.25Å; F636-H640 VanDerWaalsContact O-CD2 3.24Å; F636-H640 PolarHBondContact O-N 3.43Å; F636-H640 VanDerWaalsContact O-N 3.08Å; I637-H640 PolarHBondContact O-N 3.26Å; I637-H640 VanDerWaalsContact O-N 3.15Å; S638-H640 PolarHBondContact O-N 3.36Å; H640-E644 PolarHBondContact O-N 3.39Å; H640-N687 PolarHBondContact ND1-OD1 2.88Å; H640-N687 PolarHBondContact O-ND2 3.34Å; H640-R690 PolarHBondContact CE1-NE 3.19Å; H640-R690 PolarHBondContact CE1-NH1 3.27Å; H640-R690 VanDerWaalsContact CE1-NH1 3.35Å; H640-R690 PolarHBondContact NE2-NE 3.22Å
641L66.7Low63Low8 Ų847.5 Ų47.54%0.04225%0.248CC..Hα-helixtrans-61.4-46.1172.2-67.3170.8000111.1L512 I637 S638 Y639 Q643 E644 F645 H681 P683L512-L641 HydrophobicContact CD1-CD1 4.48Å; I637-L641 HydrophobicContact CG2-CD1 4.05Å; I637-L641 WeakPolarHBondContact O-CG 3.1Å; I637-L641 PolarHBondContact O-N 3.4Å; S638-L641 PolarHBondContact O-N 3.42Å; Y639-L641 VanDerWaalsContact C-N 3.35Å; L641-Q643 PolarHBondContact O-N 3.48Å; L641-E644 WeakPolarHBondContact O-CB 3.24Å; L641-E644 PolarHBondContact O-N 2.63Å; L641-E644 VanDerWaalsContact O-N 3.12Å; L641-F645 HydrophobicContact CB-CE2 4.25Å; L641-F645 WeakPolarHBondContact O-CD2 3.29Å; L641-F645 PolarHBondContact O-N 3.39Å; L641-F645 VanDerWaalsContact O-N 3.16Å; L641-H681 HydrophobicContact CD1-CB 4.17Å; L641-P683 VanDerWaalsContact CD2-CA 3.49Å; L641-P683 HydrophobicContact CD2-CB 3.99Å
642E67.1Low61Low24 Ų2452.7 Ų52.711%0.11228%0.276CS..Hα-helixtrans-60.2-41.8178.3-80-178.1-15800114.4K597 S638 Y639 E644 F645 S646K597-E642 WeakPolarHBondContact CB-OE1 3.37Å; K597-E642 HydrophobicContact CD-CG 4.37Å; K597-E642 WeakPolarHBondContact CD-OE1 3.4Å; K597-E642 VanDerWaalsContact CE-OE1 3.22Å; K597-E642 WeakPolarHBondContact CE-OE1 3.44Å; K597-E642 WeakPolarHBondContact CG-OE1 3.38Å; S638-E642 WeakPolarHBondContact O-CG 3.35Å; S638-E642 PolarHBondContact O-N 2.95Å; Y639-E642 PolarHBondContact O-N 3.27Å; E642-E644 PolarHBondContact O-N 2.92Å; E642-F645 PolarHBondContact O-N 3.27Å; E642-S646 PolarHBondContact O-N 3.15Å; E642-S646 PolarHBondContact O-OG 2.93Å; E642-S646 VanDerWaalsContact O-OG 3.09Å
643Q65.4Low58.9Low59 Ų5956 Ų5628%0.27629%0.291SS..Hα-helixtrans-59.6-34.3175.7-78.3-154.611.400112.1Y639 L641 K647Y639-Q643 HydrophobicContact CE1-CG 4.39Å; Y639-Q643 VanDerWaalsContact CE1-NE2 3.3Å; Y639-Q643 HydrophobicContact CE2-CG 4.23Å; Y639-Q643 PolarHBondContact O-N 3.44Å; Y639-Q643 PolarHBondContact OH-NE2 3.26Å; L641-Q643 PolarHBondContact O-N 3.48Å; Q643-K647 WeakPolarHBondContact O-CG 3.36Å; Q643-K647 PolarHBondContact O-N 3.4Å; Q643-K647 VanDerWaalsContact O-N 3.09Å
644E61.6Low56.9Low49 Ų4959.5 Ų59.523%0.22932%0.317CS..Hα-helixtrans-70.8-43.1177.2-69.8-171.3148.400111.8H640 L641 E642 S646 K647 T648 S684 N687H640-E644 PolarHBondContact O-N 3.39Å; L641-E644 WeakPolarHBondContact O-CB 3.24Å; L641-E644 PolarHBondContact O-N 2.63Å; L641-E644 VanDerWaalsContact O-N 3.12Å; E642-E644 PolarHBondContact O-N 2.92Å; E644-S646 VanDerWaalsContact C-N 3.27Å; E644-S646 PolarHBondContact O-N 3.4Å; E644-K647 PolarHBondContact O-N 3Å; E644-T648 WeakPolarHBondContact O-CB 3.48Å; E644-T648 WeakPolarHBondContact O-CG2 3.39Å; E644-T648 PolarHBondContact O-N 2.92Å; E644-T648 PolarHBondContact O-OG1 3.47Å; E644-S684 WeakPolarHBondContact OE1-CB 3.38Å; E644-S684 PolarHBondContact OE1-OG 2.86Å; E644-S684 PolarHBondContact OE2-N 2.99Å; E644-N687 VanDerWaalsContact CG-ND2 3.31Å; E644-N687 WeakPolarHBondContact CG-ND2 3.47Å; E644-N687 PolarHBondContact OE1-ND2 3Å; E644-N687 PolarHBondContact OE2-ND2 2.75Å
645F57.5Low54.8Low64 Ų6465.3 Ų65.328%0.28135%0.346SS..Hα-helixtrans-57.4-40.9172.9-70.6-70.2000111.9L641 E642 T648 T649 L678L641-F645 HydrophobicContact CB-CE2 4.25Å; L641-F645 WeakPolarHBondContact O-CD2 3.29Å; L641-F645 PolarHBondContact O-N 3.39Å; L641-F645 VanDerWaalsContact O-N 3.16Å; E642-F645 PolarHBondContact O-N 3.27Å; F645-T648 WeakPolarHBondContact CA-OG1 3.3Å; F645-T648 PolarHBondContact O-OG1 2.83Å; F645-T648 VanDerWaalsContact O-OG1 3.07Å; F645-T649 WeakPolarHBondContact O-CB 3.37Å; F645-T649 WeakPolarHBondContact O-CG2 3.49Å; F645-T649 PolarHBondContact O-N 3.03Å; F645-T649 VanDerWaalsContact O-N 3.09Å; F645-T649 PolarHBondContact O-OG1 3.43Å; F645-L678 HydrophobicContact CD1-CD2 4.24Å; F645-L678 HydrophobicContact CE1-CB 4.41Å; F645-L678 HydrophobicContact CE1-CD2 3.72Å; F645-L678 HydrophobicContact CE1-CG 3.82Å
646S57.2Low52.6Low71 Ų7168.6 Ų68.650%0.49737%0.37SS..Hα-helixtrans-70.8-34.4179.7-56.40000113.1E642 E644 T649 S650E642-S646 PolarHBondContact O-N 3.15Å; E642-S646 PolarHBondContact O-OG 2.93Å; E642-S646 VanDerWaalsContact O-OG 3.09Å; E644-S646 VanDerWaalsContact C-N 3.27Å; E644-S646 PolarHBondContact O-N 3.4Å; S646-T649 PolarHBondContact O-OG1 3Å; S646-S650 WeakPolarHBondContact O-CB 3.43Å; S646-S650 PolarHBondContact O-N 3.28Å; S646-S650 PolarHBondContact O-OG 3.24Å
647K54.8Low50.6Low122 Ų12274.8 Ų74.853%0.5340%0.399SS..Hα-helixtrans-76.1-38.8177.5-74.7172.6-177.1165.30112.8Q643 E644 S650 H651Q643-K647 WeakPolarHBondContact O-CG 3.36Å; Q643-K647 PolarHBondContact O-N 3.4Å; Q643-K647 VanDerWaalsContact O-N 3.09Å; E644-K647 PolarHBondContact O-N 3Å; K647-S650 WeakPolarHBondContact CA-OG 3.25Å; K647-S650 PolarHBondContact O-OG 2.9Å; K647-S650 VanDerWaalsContact O-OG 3.08Å; K647-H651 PolarHBondContact O-CD2 2.9Å; K647-H651 PolarHBondContact O-N 2.71Å
648T50.4Low48.7Very low59 Ų5983 Ų8336%0.36244%0.435SS..Hα-helixtrans-68.5-40.7176.948.20000111.7E644 F645 F674E644-T648 WeakPolarHBondContact O-CB 3.48Å; E644-T648 WeakPolarHBondContact O-CG2 3.39Å; E644-T648 PolarHBondContact O-N 2.92Å; E644-T648 PolarHBondContact O-OG1 3.47Å; F645-T648 WeakPolarHBondContact CA-OG1 3.3Å; F645-T648 PolarHBondContact O-OG1 2.83Å; F645-T648 VanDerWaalsContact O-OG1 3.07Å; T648-F674 HydrophobicContact CG2-CE1 4.21Å
649T45.5Very low46.6Very low88 Ų8889 Ų8954%0.5447%0.467SS..Hα-helixtrans-69.2-33.4175.150.30000113.4F645 S646 N652F645-T649 WeakPolarHBondContact O-CB 3.37Å; F645-T649 WeakPolarHBondContact O-CG2 3.49Å; F645-T649 PolarHBondContact O-N 3.03Å; F645-T649 VanDerWaalsContact O-N 3.09Å; F645-T649 PolarHBondContact O-OG1 3.43Å; S646-T649 PolarHBondContact O-OG1 3Å; T649-N652 PolarHBondContact O-N 3.26Å
650S41.4Very low44.3Very low69 Ų6995.2 Ų95.248%0.48350%0.501SS..Hα-helixtrans-74.7-30.4177.649.30000114.1S646 K647 N652 N653S646-S650 WeakPolarHBondContact O-CB 3.43Å; S646-S650 PolarHBondContact O-N 3.28Å; S646-S650 PolarHBondContact O-OG 3.24Å; K647-S650 WeakPolarHBondContact CA-OG 3.25Å; K647-S650 PolarHBondContact O-OG 2.9Å; K647-S650 VanDerWaalsContact O-OG 3.08Å; S650-N652 PolarHBondContact O-N 3.03Å; S650-N653 PolarHBondContact O-N 3.28Å
651H34.4Very low42.4Very low143 Ų143102.3 Ų102.366%0.66254%0.539SS*.Hα-helixtrans-68.3-16.5171.6-86.9-63.4000113.6K647 T654K647-H651 PolarHBondContact O-CD2 2.9Å; K647-H651 PolarHBondContact O-N 2.71Å; H651-T654 PolarHBondContact O-OG1 3.01Å
652N31Very low40.6Very low108 Ų108110.4 Ų110.458%0.57858%0.577SS**G310 helixtrans-82.6-10.4175.1-75.5-10.7000114T649 S650 T654 I655T649-N652 PolarHBondContact O-N 3.26Å; S650-N652 PolarHBondContact O-N 3.03Å; N652-T654 PolarHBondContact O-N 2.9Å; N652-I655 PolarHBondContact O-N 3.41Å
653N29.6Very low38.8Very low140 Ų140117.5 Ų117.575%0.74962%0.616SS**G310 helixtrans-77.9-0.5175.7-73.7-7.6000113.8S650 I655S650-N653 PolarHBondContact O-N 3.28Å; N653-I655 VanDerWaalsContact C-N 3.32Å
654T29.3Very low37.1Very low123 Ų123119.4 Ų119.476%0.75564%0.635SS**G310 helixtrans-88.56.2169.426.50000114.2H651 N652H651-T654 PolarHBondContact O-OG1 3.01Å; N652-T654 PolarHBondContact O-N 2.9Å
655I27.7Very low35.5Very low122 Ų122126.3 Ų126.363%0.62667%0.668SS**SBendtrans-93.598161-55175.3000105.8N652 N653 E657N652-I655 PolarHBondContact O-N 3.41Å; N653-I655 VanDerWaalsContact C-N 3.32Å; I655-E657 PolarHBondContact O-N 2.97Å
656S28.4Very low34Very low78 Ų78130.1 Ų130.155%0.54569%0.69SS.*  trans-47.3129.7177.8560000110.3K658S656-K658 PolarHBondContact O-N 3.06Å
657E28.8Very low32.7Very low192 Ų192135.2 Ų135.290%0.89770%0.703SS**THydrogen-bonded Turntrans-54.38179.5-70.6-179.914700115.7I655I655-E657 PolarHBondContact O-N 2.97Å
658K30.6Very low31.5Very low188 Ų188135.1 Ų135.182%0.81771%0.709SS**THydrogen-bonded Turntrans-93.9-3.5-179.5-82.1-169.8172.4-1760116.1S656S656-K658 PolarHBondContact O-N 3.06Å
659N27.9Very low30.7Very low127 Ų127140.1 Ų140.168%0.67973%0.728SS**  trans-120.830.6-178.2-70.7-3.4000114
660L26.4Very low29.9Very low164 Ų164142.2 Ų142.286%0.85974%0.736SS**  trans-9712.2169.6-90.3163.7000113.8
661D28.9Very low29.2Very low150 Ų150141.8 Ų141.880%0.80273%0.732SS**SBendtrans-104.6130.1156.3-75.4-34.7000107.7
662E28.2Very low28.9Very low179 Ų179139.9 Ų139.984%0.83673%0.727SS**SBendtrans9290.7177.2-53-172.2169.700117.3S664E662-S664 PolarHBondContact O-N 2.66Å
663N29.4Very low29.2Very low173 Ų173140.2 Ų140.293%0.92573%0.728SS**  trans26.780.2138.4-64.4-14.3000117.3
664S28.9Very low29.4Very low99 Ų99139.1 Ų139.169%0.69272%0.717SS**  trans-129.9103.5148.566.70000108.7E662 L666E662-S664 PolarHBondContact O-N 2.66Å; S664-L666 PolarHBondContact O-N 2.77Å
665E28.3Very low29.2Very low194 Ų194138 Ų13891%0.90770%0.704SS**  trans-54.499.8165-70.3173.6159.600108.1K667E665-K667 PolarHBondContact O-N 3.08Å
666L27.7Very low29.5Very low143 Ų143133.2 Ų133.275%0.74968%0.683SS**  trans-58.4121162.9-81.2156.4000106.5S664 D668S664-L666 PolarHBondContact O-N 2.77Å; L666-D668 PolarHBondContact O-N 3.28Å
667K29.7Very low30.3Very low178 Ų178132.5 Ų132.577%0.77467%0.671SS**  trans-56.9120.3-178.2-67.6179.7177.6179.10109.5E665 E669E665-K667 PolarHBondContact O-N 3.08Å; K667-E669 PolarHBondContact O-N 2.8Å
668D29.9Very low30.7Very low121 Ų121126.9 Ų126.965%0.64765%0.647SS**Hα-helixtrans-55.4-13.9-174.1-84.6-40.8000115.5L666 N672L666-D668 PolarHBondContact O-N 3.28Å; D668-N672 WeakPolarHBondContact O-CB 3.41Å; D668-N672 PolarHBondContact O-N 3.02Å; D668-N672 VanDerWaalsContact O-N 3.09Å; D668-N672 PolarHBondContact O-ND2 3.45Å
669E31.6Very low31Very low164 Ų164121.6 Ų121.677%0.76663%0.627SS**Hα-helixtrans-70.2-41.7-173.1-67.6-174.3159.600113.5K667 N672K667-E669 PolarHBondContact O-N 2.8Å; E669-N672 PolarHBondContact O-N 3.48Å
670D29.8Very low31.9Very low131 Ų131116.3 Ų116.370%0.70160%0.6SS**Hα-helixtrans-76.6-31.4178.5-69.9-34.1000112.2N672 F674D670-N672 VanDerWaalsContact C-N 3.31Å; D670-N672 PolarHBondContact O-N 3.22Å; D670-F674 PolarHBondContact O-N 3.17Å
671C27.3Very low33.1Very low61 Ų61110.9 Ų110.941%0.41257%0.57SS.*Hα-helixtrans-66.9-31.6173.1-74.50000112.1M675C671-M675 WeakPolarHBondContact O-CB 3.49Å; C671-M675 WeakPolarHBondContact O-CG 3.24Å; C671-M675 PolarHBondContact O-N 3.32Å
672N28.1Very low34.5Very low102 Ų102104.6 Ų104.655%0.54554%0.536SS..Hα-helixtrans-71.6-37.9-178.1-81.9-37.2000113.5D668 E669 D670 A676D668-N672 WeakPolarHBondContact O-CB 3.41Å; D668-N672 PolarHBondContact O-N 3.02Å; D668-N672 VanDerWaalsContact O-N 3.09Å; D668-N672 PolarHBondContact O-ND2 3.45Å; E669-N672 PolarHBondContact O-N 3.48Å; D670-N672 VanDerWaalsContact C-N 3.31Å; D670-N672 PolarHBondContact O-N 3.22Å; N672-A676 WeakPolarHBondContact O-CB 3.12Å; N672-A676 PolarHBondContact O-N 2.93Å
673L35.8Very low36.1Very low115 Ų11596.4 Ų96.460%0.60250%0.498SS*.Hα-helixtrans-70-40.7176.9-163.775.2000111.4Q677L673-Q677 WeakPolarHBondContact O-CG 3.43Å; L673-Q677 PolarHBondContact O-N 3.44Å; L673-Q677 VanDerWaalsContact O-N 3.15Å
674F33.7Very low37.6Very low117 Ų11790 Ų9051%0.51347%0.467SS..Hα-helixtrans-65.4-47.9174.2-95.6-84.2000111.5T648 D670 A676 Q677 L678T648-F674 HydrophobicContact CG2-CE1 4.21Å; D670-F674 PolarHBondContact O-N 3.17Å; F674-A676 VanDerWaalsContact C-N 3.32Å; F674-A676 PolarHBondContact O-N 3.32Å; F674-Q677 PolarHBondContact O-N 3.41Å; F674-L678 HydrophobicContact CB-CD1 4.23Å; F674-L678 VanDerWaalsContact O-CB 3.25Å; F674-L678 WeakPolarHBondContact O-CB 3.3Å; F674-L678 WeakPolarHBondContact O-CD1 3.43Å; F674-L678 PolarHBondContact O-N 2.85Å
675M26.1Very low39.3Very low99 Ų9987.8 Ų87.849%0.48845%0.447SS..Hα-helixtrans-63.9-35179.8-76.1-68.4-78.400112.8C671 L678 L679C671-M675 WeakPolarHBondContact O-CB 3.49Å; C671-M675 WeakPolarHBondContact O-CG 3.24Å; C671-M675 PolarHBondContact O-N 3.32Å; M675-L678 WeakPolarHBondContact O-CB 3.27Å; M675-L678 HydrophobicContact SD-CD1 4.17Å; M675-L679 HydrophobicContact CE-CD1 4.46Å; M675-L679 WeakPolarHBondContact O-CB 3.27Å; M675-L679 WeakPolarHBondContact O-CD1 3.49Å; M675-L679 VanDerWaalsContact O-CG 3.32Å; M675-L679 WeakPolarHBondContact O-CG 2.94Å; M675-L679 PolarHBondContact O-N 2.81Å
676A34.8Very low41.1Very low23 Ų2386.6 Ų86.619%0.1944%0.438CS..Hα-helixtrans-61.9-50.7171.700000112.1T235 N672 F674 L678 L679 T680T235-A676 HydrophobicContact CG2-CB 3.52Å; N672-A676 WeakPolarHBondContact O-CB 3.12Å; N672-A676 PolarHBondContact O-N 2.93Å; F674-A676 VanDerWaalsContact C-N 3.32Å; F674-A676 PolarHBondContact O-N 3.32Å; A676-L678 VanDerWaalsContact C-N 3.35Å; A676-L678 PolarHBondContact O-N 2.81Å; A676-L679 PolarHBondContact O-N 3.37Å; A676-T680 VanDerWaalsContact O-CG2 3.26Å; A676-T680 WeakPolarHBondContact O-CG2 3.33Å; A676-T680 PolarHBondContact O-N 2.88Å; A676-T680 PolarHBondContact O-OG1 3.02Å
677Q43.4Very low43Very low62 Ų6280.4 Ų80.429%0.2941%0.406SS..Hα-helixtrans-61.3-41.3176.4-71.2175-7.700112.4L673 F674 L679 T680L673-Q677 WeakPolarHBondContact O-CG 3.43Å; L673-Q677 PolarHBondContact O-N 3.44Å; L673-Q677 VanDerWaalsContact O-N 3.15Å; F674-Q677 PolarHBondContact O-N 3.41Å; Q677-L679 PolarHBondContact O-N 2.88Å; Q677-T680 PolarHBondContact O-OG1 2.92Å
678L38Very low45.1Very low74 Ų7472.2 Ų72.239%0.38737%0.37SS..Hα-helixtrans-55.1-28.7175.9-105.3123.8000113F645 F674 M675 A676F645-L678 HydrophobicContact CD1-CD2 4.24Å; F645-L678 HydrophobicContact CE1-CB 4.41Å; F645-L678 HydrophobicContact CE1-CD2 3.72Å; F645-L678 HydrophobicContact CE1-CG 3.82Å; F674-L678 HydrophobicContact CB-CD1 4.23Å; F674-L678 VanDerWaalsContact O-CB 3.25Å; F674-L678 WeakPolarHBondContact O-CB 3.3Å; F674-L678 WeakPolarHBondContact O-CD1 3.43Å; F674-L678 PolarHBondContact O-N 2.85Å; M675-L678 WeakPolarHBondContact O-CB 3.27Å; M675-L678 HydrophobicContact SD-CD1 4.17Å; A676-L678 VanDerWaalsContact C-N 3.35Å; A676-L678 PolarHBondContact O-N 2.81Å
679L36.1Very low47.1Very low77 Ų7769.1 Ų69.140%0.40335%0.353SS..Hα-helixtrans-111.5-20.8-166.5-87.4172.7000113.4R242 M675 A676 Q677 H681R242-L679 VanDerWaalsContact NH1-CB 3.33Å; R242-L679 PolarHBondContact NH2-O 3.44Å; R242-L679 VanDerWaalsContact NH2-O 3.16Å; M675-L679 HydrophobicContact CE-CD1 4.46Å; M675-L679 WeakPolarHBondContact O-CB 3.27Å; M675-L679 WeakPolarHBondContact O-CD1 3.49Å; M675-L679 VanDerWaalsContact O-CG 3.32Å; M675-L679 WeakPolarHBondContact O-CG 2.94Å; M675-L679 PolarHBondContact O-N 2.81Å; A676-L679 PolarHBondContact O-N 3.37Å; Q677-L679 PolarHBondContact O-N 2.88Å; L679-H681 VanDerWaalsContact C-N 3.33Å
680T47.8Very low48.9Very low17 Ų1767.8 Ų67.810%0.10434%0.341CS..THydrogen-bonded Turntrans-884.3175.654.80000113.3T235 E238 A676 Q677 Q682T235-T680 HydrophobicContact CG2-CG2 4.5Å; E238-T680 HydrophobicContact CB-CG2 3.73Å; E238-T680 HydrophobicContact CG-CG2 3.65Å; A676-T680 VanDerWaalsContact O-CG2 3.26Å; A676-T680 WeakPolarHBondContact O-CG2 3.33Å; A676-T680 PolarHBondContact O-N 2.88Å; A676-T680 PolarHBondContact O-OG1 3.02Å; Q677-T680 PolarHBondContact O-OG1 2.92Å; T680-Q682 PolarHBondContact O-N 2.81Å; T680-Q682 PolarHBondContact O-NE2 2.88Å; T680-Q682 WeakPolarHBondContact OG1-CG 3.45Å
681H50.9Low50.8Low49 Ų4962.4 Ų62.423%0.22731%0.312CS..THydrogen-bonded Turntrans45.632.5-170.4-69.4-86.3000112.6E501 L641 L679E501-H681 IonicContact OE1-CE1 2.91Å; E501-H681 PolarHBondContact OE1-CE1 2.89Å; E501-H681 IonicContact OE1-ND1 3.43Å; L641-H681 HydrophobicContact CD1-CB 4.17Å; L679-H681 VanDerWaalsContact C-N 3.33Å
682Q58.1Low53.2Low19 Ų1960.1 Ų60.19%0.08930%0.295CS..PPolyproline II helixtrans-86128.7-178.9-70-54.8-59.300108.8N467 T680N467-Q682 PolarHBondContact ND2-OE1 2.99Å; T680-Q682 PolarHBondContact O-N 2.81Å; T680-Q682 PolarHBondContact O-NE2 2.88Å; T680-Q682 WeakPolarHBondContact OG1-CG 3.45Å
683P62.1Low55.7Low7 Ų762.8 Ų62.85%0.04530%0.297CS..PPolyproline II helixtrans-65.8150.7175.127.1-33.1000110.3L641 N687 W688 I691L641-P683 VanDerWaalsContact CD2-CA 3.49Å; L641-P683 HydrophobicContact CD2-CB 3.99Å; P683-N687 HydrophobicContact CB-CB 3.57Å; P683-W688 HydrophobicContact CG-CB 3.97Å; P683-W688 HydrophobicContact CG-CG 4.43Å; P683-I691 HydrophobicContact CB-CD1 3.86Å; P683-I691 HydrophobicContact CG-CD1 3.76Å
684S61.4Low57.6Low38 Ų3860.3 Ų60.327%0.26629%0.285SS..PPolyproline II helixtrans-55.7162.6164.479.90000110.7E644 K686 N687 W688E644-S684 WeakPolarHBondContact OE1-CB 3.38Å; E644-S684 PolarHBondContact OE1-OG 2.86Å; E644-S684 PolarHBondContact OE2-N 2.99Å; S684-K686 PolarHBondContact O-N 3.02Å; S684-K686 VanDerWaalsContact O-N 3.16Å; S684-K686 PolarHBondContact OG-N 2.93Å; S684-N687 CarbonylContact O-C 3.56Å; S684-N687 WeakPolarHBondContact O-CA 3.37Å; S684-N687 PolarHBondContact O-N 3.33Å; S684-N687 PolarHBondContact OG-N 2.87Å; S684-W688 PolarHBondContact O-N 2.85Å
685I64.6Low59.9Low53 Ų5356.1 Ų56.127%0.27227%0.267SS..Hα-helixtrans-50.3-44176-61.6143000111.4E223 C227 I231 N687 W688 I689E223-I685 HydrophobicContact CG-CG2 4.17Å; C227-I685 HydrophobicContact CB-CD1 3.94Å; C227-I685 HydrophobicContact CB-CG1 4.28Å; C227-I685 WeakPolarHBondContact SG-CD1 3.19Å; C227-I685 WeakPolarHBondContact SG-CG1 3.13Å; I231-I685 HydrophobicContact CD1-CG1 4.31Å; I685-N687 VanDerWaalsContact C-N 3.33Å; I685-N687 PolarHBondContact O-N 2.89Å; I685-W688 PolarHBondContact O-N 2.87Å; I685-I689 HydrophobicContact CG2-CD1 3.76Å; I685-I689 HydrophobicContact CG2-CG1 4.44Å; I685-I689 WeakPolarHBondContact O-CB 3.4Å; I685-I689 WeakPolarHBondContact O-CG1 3.42Å; I685-I689 PolarHBondContact O-N 3.07Å
686K66.2Low62.8Low168 Ų16852.7 Ų52.773%0.7325%0.25SS*.Hα-helixtrans-63-40.3179.7-174.7175.4-177.6171.20111.9S684 R690S684-K686 PolarHBondContact O-N 3.02Å; S684-K686 VanDerWaalsContact O-N 3.16Å; S684-K686 PolarHBondContact OG-N 2.93Å; K686-R690 WeakPolarHBondContact O-CB 3.44Å; K686-R690 PolarHBondContact O-N 3.04Å; K686-R690 VanDerWaalsContact O-N 3.13Å
687N67.4Low65.3Low13 Ų1352.2 Ų52.27%0.0725%0.245CC..Hα-helixtrans-74.3-39.6176.7-85.9-10000111.9H640 E644 P683 S684 I685 I689 R690 I691H640-N687 PolarHBondContact ND1-OD1 2.88Å; H640-N687 PolarHBondContact O-ND2 3.34Å; E644-N687 VanDerWaalsContact CG-ND2 3.31Å; E644-N687 WeakPolarHBondContact CG-ND2 3.47Å; E644-N687 PolarHBondContact OE1-ND2 3Å; E644-N687 PolarHBondContact OE2-ND2 2.75Å; P683-N687 HydrophobicContact CB-CB 3.57Å; S684-N687 CarbonylContact O-C 3.56Å; S684-N687 WeakPolarHBondContact O-CA 3.37Å; S684-N687 PolarHBondContact O-N 3.33Å; S684-N687 PolarHBondContact OG-N 2.87Å; I685-N687 VanDerWaalsContact C-N 3.33Å; I685-N687 PolarHBondContact O-N 2.89Å; N687-I689 PolarHBondContact O-N 2.93Å; N687-R690 CarbonylContact O-C 3.6Å; N687-R690 WeakPolarHBondContact O-CA 3.42Å; N687-R690 WeakPolarHBondContact O-CB 3.47Å; N687-R690 PolarHBondContact O-N 3.45Å; N687-I691 WeakPolarHBondContact O-CD1 3.39Å; N687-I691 WeakPolarHBondContact O-CG1 3.48Å; N687-I691 PolarHBondContact O-N 3.06Å
688W73.1Confident67.6Low6 Ų649.3 Ų49.32%0.02323%0.232CC..Hα-helixtrans-58.3-48.3174.8-169.195.6000110.8I222 V226 L464 P683 S684 I685 R690 I691 Y692 L696I222-W688 HydrophobicContact CG2-CH2 4.16Å; I222-W688 HydrophobicContact CG2-CZ3 4.03Å; V226-W688 HydrophobicContact CB-CE3 4.48Å; V226-W688 HydrophobicContact CG1-CB 4.47Å; V226-W688 HydrophobicContact CG1-CD2 3.85Å; V226-W688 HydrophobicContact CG1-CE3 4.04Å; V226-W688 HydrophobicContact CG1-CG 4.03Å; V226-W688 HydrophobicContact CG2-CD2 4.09Å; V226-W688 HydrophobicContact CG2-CE3 3.84Å; V226-W688 HydrophobicContact CG2-CH2 3.63Å; V226-W688 HydrophobicContact CG2-CZ2 3.87Å; V226-W688 HydrophobicContact CG2-CZ3 3.59Å; L464-W688 HydrophobicContact CD2-CZ2 4.19Å; P683-W688 HydrophobicContact CG-CB 3.97Å; P683-W688 HydrophobicContact CG-CG 4.43Å; S684-W688 PolarHBondContact O-N 2.85Å; I685-W688 PolarHBondContact O-N 2.87Å; W688-R690 PolarHBondContact O-N 2.79Å; W688-I691 PolarHBondContact O-N 3.29Å; W688-I691 VanDerWaalsContact O-N 3.14Å; W688-Y692 AromaticContact CD1-CE2 3.81Å; W688-Y692 AromaticContact CD2-CD2 3.66Å; W688-Y692 HydrophobicContact CD2-CD2 3.66Å; W688-Y692 HydrophobicContact CD2-CE2 4.15Å; W688-Y692 AromaticContact CE2-CD2 3.37Å; W688-Y692 AromaticContact CE2-CE2 3.53Å; W688-Y692 HydrophobicContact CE3-CD2 4.18Å; W688-Y692 HydrophobicContact CG-CD2 4.07Å; W688-Y692 HydrophobicContact CG-CE2 4.29Å; W688-Y692 HydrophobicContact CH2-CD2 4.17Å; W688-Y692 HydrophobicContact CH2-CG 4.42Å; W688-Y692 AromaticContact CZ2-CD2 3.65Å; W688-Y692 HydrophobicContact CZ2-CD2 3.65Å; W688-Y692 AromaticContact CZ2-CE2 3.93Å; W688-Y692 HydrophobicContact CZ2-CE2 3.93Å; W688-Y692 HydrophobicContact CZ2-CG 4.22Å; W688-Y692 HydrophobicContact CZ3-CD2 4.42Å; W688-Y692 AromaticContact NE1-CD2 3.63Å; W688-Y692 AromaticContact NE1-CE2 3.31Å; W688-Y692 VanDerWaalsContact NE1-CE2 3.31Å; W688-Y692 WeakPolarHBondContact O-CD2 3.32Å; W688-Y692 PolarHBondContact O-N 2.89Å; W688-L696 HydrophobicContact CE3-CD1 4.38Å; W688-L696 HydrophobicContact CH2-CD2 4.37Å; W688-L696 HydrophobicContact CZ3-CD1 3.88Å; W688-L696 HydrophobicContact CZ3-CD2 4Å; W688-L696 HydrophobicContact CZ3-CG 4.32Å
689I72.3Confident70.2Confident56 Ų5645.8 Ų45.829%0.28721%0.213SC..Hα-helixtrans-58.8-38.4174.4-68.9167.7000111E223 I685 N687 R693 L696E223-I689 HydrophobicContact CG-CD1 4.37Å; I685-I689 HydrophobicContact CG2-CD1 3.76Å; I685-I689 HydrophobicContact CG2-CG1 4.44Å; I685-I689 WeakPolarHBondContact O-CB 3.4Å; I685-I689 WeakPolarHBondContact O-CG1 3.42Å; I685-I689 PolarHBondContact O-N 3.07Å; N687-I689 PolarHBondContact O-N 2.93Å; I689-R693 WeakPolarHBondContact O-CA 3.35Å; I689-R693 WeakPolarHBondContact O-CB 3.39Å; I689-R693 PolarHBondContact O-N 3.05Å; I689-L696 HydrophobicContact CB-CD1 4.22Å; I689-L696 HydrophobicContact CG1-CD1 4.2Å; I689-L696 HydrophobicContact CG2-CD1 4.04Å
690R70.4Confident72.8Confident137 Ų13743.4 Ų43.452%0.51720%0.2SC..Hα-helixtrans-69.7-36.6177.8-169.5175.1-179.4163.5-2.2112.7F636 H640 K686 N687 W688 R693F636-R690 HydrophobicContact CZ-CG 4.2Å; H640-R690 PolarHBondContact CE1-NE 3.19Å; H640-R690 PolarHBondContact CE1-NH1 3.27Å; H640-R690 VanDerWaalsContact CE1-NH1 3.35Å; H640-R690 PolarHBondContact NE2-NE 3.22Å; K686-R690 WeakPolarHBondContact O-CB 3.44Å; K686-R690 PolarHBondContact O-N 3.04Å; K686-R690 VanDerWaalsContact O-N 3.13Å; N687-R690 CarbonylContact O-C 3.6Å; N687-R690 WeakPolarHBondContact O-CA 3.42Å; N687-R690 WeakPolarHBondContact O-CB 3.47Å; N687-R690 PolarHBondContact O-N 3.45Å; W688-R690 PolarHBondContact O-N 2.79Å; R690-R693 WeakPolarHBondContact O-CB 3.4Å
691I70.1Confident75Confident18 Ų1842.6 Ų42.69%0.09220%0.195CC..Hα-helixtrans-68.4-46.1178.5-69.7159.7000110.7F636 I637 P683 N687 W688 R693F636-I691 HydrophobicContact CE1-CG1 4.28Å; I637-I691 HydrophobicContact CB-CD1 4.45Å; I637-I691 HydrophobicContact CD1-CG2 3.8Å; I637-I691 HydrophobicContact CG1-CD1 3.8Å; I637-I691 HydrophobicContact CG1-CG1 3.83Å; I637-I691 HydrophobicContact CG1-CG2 3.92Å; I637-I691 HydrophobicContact CG2-CD1 4.22Å; P683-I691 HydrophobicContact CB-CD1 3.86Å; P683-I691 HydrophobicContact CG-CD1 3.76Å; N687-I691 WeakPolarHBondContact O-CD1 3.39Å; N687-I691 WeakPolarHBondContact O-CG1 3.48Å; N687-I691 PolarHBondContact O-N 3.06Å; W688-I691 PolarHBondContact O-N 3.29Å; W688-I691 VanDerWaalsContact O-N 3.14Å; I691-R693 VanDerWaalsContact C-N 3.32Å
692Y77.3Confident77Confident12 Ų1240.3 Ų40.35%0.04719%0.185CC..THydrogen-bonded Turntrans-95.822.3-179.4-64.5-78.4000112.8I462 W688 N694 E695 L696I462-Y692 HydrophobicContact CG1-CD1 4.39Å; I462-Y692 HydrophobicContact CG2-CD1 4Å; I462-Y692 HydrophobicContact CG2-CE1 3.91Å; W688-Y692 AromaticContact CD1-CE2 3.81Å; W688-Y692 AromaticContact CD2-CD2 3.66Å; W688-Y692 HydrophobicContact CD2-CD2 3.66Å; W688-Y692 HydrophobicContact CD2-CE2 4.15Å; W688-Y692 AromaticContact CE2-CD2 3.37Å; W688-Y692 AromaticContact CE2-CE2 3.53Å; W688-Y692 HydrophobicContact CE3-CD2 4.18Å; W688-Y692 HydrophobicContact CG-CD2 4.07Å; W688-Y692 HydrophobicContact CG-CE2 4.29Å; W688-Y692 HydrophobicContact CH2-CD2 4.17Å; W688-Y692 HydrophobicContact CH2-CG 4.42Å; W688-Y692 AromaticContact CZ2-CD2 3.65Å; W688-Y692 HydrophobicContact CZ2-CD2 3.65Å; W688-Y692 AromaticContact CZ2-CE2 3.93Å; W688-Y692 HydrophobicContact CZ2-CE2 3.93Å; W688-Y692 HydrophobicContact CZ2-CG 4.22Å; W688-Y692 HydrophobicContact CZ3-CD2 4.42Å; W688-Y692 AromaticContact NE1-CD2 3.63Å; W688-Y692 AromaticContact NE1-CE2 3.31Å; W688-Y692 VanDerWaalsContact NE1-CE2 3.31Å; W688-Y692 WeakPolarHBondContact O-CD2 3.32Å; W688-Y692 PolarHBondContact O-N 2.89Å; Y692-N694 VanDerWaalsContact C-N 3.27Å; Y692-N694 PolarHBondContact O-N 3.29Å; Y692-E695 WeakPolarHBondContact CA-OE2 3.42Å; Y692-E695 PolarHBondContact O-N 3.31Å; Y692-E695 VanDerWaalsContact O-N 3.14Å; Y692-L696 WeakPolarHBondContact O-CB 3.34Å; Y692-L696 VanDerWaalsContact O-CG 3.26Å; Y692-L696 WeakPolarHBondContact O-CG 3.47Å; Y692-L696 PolarHBondContact O-N 3.38Å
693R79.4Confident78.7Confident158 Ų15840.4 Ų40.460%0.59619%0.187SC*.Hα-helixtrans-55-43.6-172.4-178.8179.5179.6173.40.7112.4I689 R690 I691 S697I689-R693 WeakPolarHBondContact O-CA 3.35Å; I689-R693 WeakPolarHBondContact O-CB 3.39Å; I689-R693 PolarHBondContact O-N 3.05Å; R690-R693 WeakPolarHBondContact O-CB 3.4Å; I691-R693 VanDerWaalsContact C-N 3.32Å; R693-S697 WeakPolarHBondContact O-CB 3.48Å; R693-S697 PolarHBondContact O-N 2.99Å
694N76.7Confident80.1Confident64 Ų6440.1 Ų40.134%0.34218%0.184SC..Hα-helixtrans-69.4-44.5-178.3-63.1-15.3000110Y692 L696 S697 H698 I749 T751Y692-N694 VanDerWaalsContact C-N 3.27Å; Y692-N694 PolarHBondContact O-N 3.29Å; N694-L696 VanDerWaalsContact C-N 3.33Å; N694-L696 PolarHBondContact O-N 2.98Å; N694-S697 PolarHBondContact O-N 3.47Å; N694-S697 PolarHBondContact O-OG 2.91Å; N694-H698 PolarHBondContact O-N 3.11Å; N694-H698 VanDerWaalsContact O-N 3.15Å; N694-I749 HydrophobicContact CB-CG2 4.03Å; N694-T751 HydrophobicContact CB-CG2 4.03Å; N694-T751 WeakPolarHBondContact ND2-CG2 3.2Å
695E82.5Confident81.6Confident29 Ų2938.6 Ų38.614%0.13617%0.173CC..Hα-helixtrans-65-38.4178.1-59.390.7149.700112N460 I462 K633 Y692 H698 V699N460-E695 WeakPolarHBondContact ND2-CA 3.37Å; N460-E695 WeakPolarHBondContact ND2-CG 3.45Å; I462-E695 HydrophobicContact CD1-CB 3.53Å; I462-E695 HydrophobicContact CG1-CB 3.43Å; I462-E695 VanDerWaalsContact CG1-CB 3.43Å; I462-E695 HydrophobicContact CG1-CG 3.93Å; K633-E695 IonicContact NZ-OE1 3.77Å; Y692-E695 WeakPolarHBondContact CA-OE2 3.42Å; Y692-E695 PolarHBondContact O-N 3.31Å; Y692-E695 VanDerWaalsContact O-N 3.14Å; E695-H698 WeakPolarHBondContact O-CB 3.37Å; E695-H698 PolarHBondContact O-N 3.29Å; E695-V699 PolarHBondContact O-N 2.91Å; E695-V699 VanDerWaalsContact O-N 3.13Å
696L85.9Confident82.7Confident27 Ų2739 Ų3914%0.14118%0.176CC..Hα-helixtrans-68.6-33.9174.4-68173.5000112.9I222 I462 W688 I689 Y692 N694 H698 V699 E700I222-L696 HydrophobicContact CD1-CD2 4.2Å; I222-L696 HydrophobicContact CG2-CD2 3.71Å; I462-L696 HydrophobicContact CD1-CD2 4.49Å; W688-L696 HydrophobicContact CE3-CD1 4.38Å; W688-L696 HydrophobicContact CH2-CD2 4.37Å; W688-L696 HydrophobicContact CZ3-CD1 3.88Å; W688-L696 HydrophobicContact CZ3-CD2 4Å; W688-L696 HydrophobicContact CZ3-CG 4.32Å; I689-L696 HydrophobicContact CB-CD1 4.22Å; I689-L696 HydrophobicContact CG1-CD1 4.2Å; I689-L696 HydrophobicContact CG2-CD1 4.04Å; Y692-L696 WeakPolarHBondContact O-CB 3.34Å; Y692-L696 VanDerWaalsContact O-CG 3.26Å; Y692-L696 WeakPolarHBondContact O-CG 3.47Å; Y692-L696 PolarHBondContact O-N 3.38Å; N694-L696 VanDerWaalsContact C-N 3.33Å; N694-L696 PolarHBondContact O-N 2.98Å; L696-H698 VanDerWaalsContact C-N 3.25Å; L696-H698 PolarHBondContact O-N 2.89Å; L696-V699 WeakPolarHBondContact O-CB 3.26Å; L696-V699 PolarHBondContact O-N 3.22Å; L696-E700 PolarHBondContact O-N 3.18Å
697S88.1Confident83.6Confident12 Ų1231.6 Ų31.68%0.08415%0.145CC..Hα-helixtrans-65.6-31.3173.674.60000112.2R693 N694 A701 I749R693-S697 WeakPolarHBondContact O-CB 3.48Å; R693-S697 PolarHBondContact O-N 2.99Å; N694-S697 PolarHBondContact O-N 3.47Å; N694-S697 PolarHBondContact O-OG 2.91Å; S697-A701 WeakPolarHBondContact O-CB 3.35Å; S697-A701 PolarHBondContact O-N 3.49Å; S697-I749 VanDerWaalsContact OG-CA 3.26Å; S697-I749 WeakPolarHBondContact OG-CA 3.25Å; S697-I749 WeakPolarHBondContact OG-CG2 3.33Å; S697-I749 PolarHBondContact OG-O 3.02Å
698H91.2Very high84.5Confident1 Ų134.5 Ų34.51%0.00516%0.164CC..Hα-helixtrans-69.9-40.3172.3-173.8-87000111.8S448 S458 N460 N694 E695 L696 A701 S702 I749S448-H698 VanDerWaalsContact CB-ND1 3.31Å; S448-H698 WeakPolarHBondContact CB-ND1 3.37Å; S448-H698 PolarHBondContact O-CE1 3Å; S448-H698 VanDerWaalsContact O-CE1 3.24Å; S448-H698 PolarHBondContact OG-ND1 2.87Å; S458-H698 PolarHBondContact OG-NE2 3.33Å; N460-H698 HydrophobicContact CB-CB 4.27Å; N460-H698 WeakPolarHBondContact CB-ND1 3.43Å; N694-H698 PolarHBondContact O-N 3.11Å; N694-H698 VanDerWaalsContact O-N 3.15Å; E695-H698 WeakPolarHBondContact O-CB 3.37Å; E695-H698 PolarHBondContact O-N 3.29Å; L696-H698 VanDerWaalsContact C-N 3.25Å; L696-H698 PolarHBondContact O-N 2.89Å; H698-A701 PolarHBondContact O-N 3.39Å; H698-S702 PolarHBondContact CE1-OG 3.39Å; H698-S702 WeakPolarHBondContact O-CB 3.47Å; H698-S702 PolarHBondContact O-N 3.1Å; H698-S702 PolarHBondContact O-OG 3.04Å; H698-I749 HydrophobicContact CB-CD1 4.38Å; H698-I749 HydrophobicContact CB-CG1 4.08Å
699V92Very high85.2Confident0 Ų034.2 Ų34.20%016%0.163CC..Hα-helixtrans-58.1-51.8172171.70000110.2I222 V416 L446 E695 L696 A701 S702 V703I222-V699 HydrophobicContact CD1-CB 4.18Å; I222-V699 HydrophobicContact CD1-CG1 3.37Å; I222-V699 HydrophobicContact CD1-CG2 4.06Å; V416-V699 HydrophobicContact CG1-CG1 4.19Å; V416-V699 HydrophobicContact CG2-CG1 3.92Å; L446-V699 HydrophobicContact CD2-CG2 4.48Å; E695-V699 PolarHBondContact O-N 2.91Å; E695-V699 VanDerWaalsContact O-N 3.13Å; L696-V699 WeakPolarHBondContact O-CB 3.26Å; L696-V699 PolarHBondContact O-N 3.22Å; V699-A701 VanDerWaalsContact C-N 3.32Å; V699-A701 PolarHBondContact O-N 3.14Å; V699-S702 WeakPolarHBondContact O-CB 3.46Å; V699-S702 PolarHBondContact O-N 3.37Å; V699-S702 VanDerWaalsContact O-N 3.15Å; V699-V703 WeakPolarHBondContact O-CG2 3.46Å; V699-V703 PolarHBondContact O-N 3.49Å
700E92.1Very high85.6Confident28 Ų2836.1 Ų36.113%0.13118%0.179CC..Hα-helixtrans-56.2-47.5178.9-174.8-164.4165.300111.4S21 P219 L696 S702 V703 C704 R1017 L1021S21-E700 WeakPolarHBondContact CB-OE1 3.28Å; S21-E700 PolarHBondContact OG-OE1 3.3Å; P219-E700 HydrophobicContact CG-CB 3.92Å; P219-E700 HydrophobicContact CG-CG 4.17Å; L696-E700 PolarHBondContact O-N 3.18Å; E700-S702 VanDerWaalsContact C-N 3.34Å; E700-S702 PolarHBondContact O-N 3.3Å; E700-V703 PolarHBondContact O-N 3.07Å; E700-C704 PolarHBondContact O-N 3.31Å; E700-C704 PolarHBondContact O-SG 3.03Å; E700-R1017 IonicContact OE1-NH1 3.17Å; E700-R1017 IonicContact OE1-NH2 2.87Å; E700-R1017 IonicContact OE2-CZ 2.79Å; E700-R1017 IonicContact OE2-NH1 3.88Å; E700-R1017 IonicContact OE2-NH2 2.76Å; E700-R1017 PolarHBondContact OE2-NH2 3.37Å; E700-L1021 HydrophobicContact CG-CD1 4.2Å; E700-L1021 WeakPolarHBondContact OE1-CD1 3.47Å
701A93Very high86.1Confident0 Ų032.7 Ų32.70%017%0.174CC..Hα-helixtrans-60.7-43.8177.300000112.1L450 S697 H698 V699 V703 C704 F705 A748 L1021L450-A701 HydrophobicContact CD1-CB 4.03Å; S697-A701 WeakPolarHBondContact O-CB 3.35Å; S697-A701 PolarHBondContact O-N 3.49Å; H698-A701 PolarHBondContact O-N 3.39Å; V699-A701 VanDerWaalsContact C-N 3.32Å; V699-A701 PolarHBondContact O-N 3.14Å; A701-V703 VanDerWaalsContact C-N 3.27Å; A701-V703 PolarHBondContact O-N 3.32Å; A701-C704 PolarHBondContact O-N 3.44Å; A701-F705 WeakPolarHBondContact O-CB 3.42Å; A701-F705 VanDerWaalsContact O-CD2 3.25Å; A701-F705 WeakPolarHBondContact O-CD2 3.29Å; A701-F705 PolarHBondContact O-N 3.2Å; A701-A748 HydrophobicContact CB-CB 3.82Å; A701-L1021 HydrophobicContact CB-CD2 3.74Å
702S94Very high86.9Confident1 Ų131.9 Ų31.91%0.00717%0.169CC..Hα-helixtrans-60-38.2178-58.50000111.8A415 L450 H698 V699 E700 N706A415-S702 VanDerWaalsContact CB-O 3.29Å; A415-S702 WeakPolarHBondContact CB-O 3.39Å; L450-S702 PolarHBondContact N-OG 2.95Å; H698-S702 PolarHBondContact CE1-OG 3.39Å; H698-S702 WeakPolarHBondContact O-CB 3.47Å; H698-S702 PolarHBondContact O-N 3.1Å; H698-S702 PolarHBondContact O-OG 3.04Å; V699-S702 WeakPolarHBondContact O-CB 3.46Å; V699-S702 PolarHBondContact O-N 3.37Å; V699-S702 VanDerWaalsContact O-N 3.15Å; E700-S702 VanDerWaalsContact C-N 3.34Å; E700-S702 PolarHBondContact O-N 3.3Å; S702-N706 PolarHBondContact O-N 3.13Å
703V92.9Very high87.2Confident21 Ų2136.9 Ų36.913%0.12720%0.197CC..Hα-helixtrans-71.1-44.1176.8172.60000111.6S27 D218 V416 V699 E700 A701 F705 N706S27-V703 WeakPolarHBondContact OG-CG1 3.39Å; S27-V703 PolarHBondContact OG-O 3.48Å; D218-V703 HydrophobicContact CB-CG1 4.25Å; D218-V703 HydrophobicContact CB-CG2 4.23Å; V416-V703 HydrophobicContact CG2-CG2 3.94Å; V699-V703 WeakPolarHBondContact O-CG2 3.46Å; V699-V703 PolarHBondContact O-N 3.49Å; E700-V703 PolarHBondContact O-N 3.07Å; A701-V703 VanDerWaalsContact C-N 3.27Å; A701-V703 PolarHBondContact O-N 3.32Å; V703-F705 VanDerWaalsContact C-N 3.28Å; V703-F705 PolarHBondContact O-N 3.04Å; V703-N706 VanDerWaalsContact O-CB 3.24Å; V703-N706 WeakPolarHBondContact O-CB 3.3Å; V703-N706 PolarHBondContact O-N 3.39Å
704C92Very high87.6Confident0 Ų032.7 Ų32.70%019%0.189CC..Hα-helixtrans-62.3-36.7178.5-640000112.1E700 A701 N706 L1021E700-C704 PolarHBondContact O-N 3.31Å; E700-C704 PolarHBondContact O-SG 3.03Å; A701-C704 PolarHBondContact O-N 3.44Å; C704-N706 VanDerWaalsContact C-N 3.27Å; C704-N706 PolarHBondContact O-N 2.87Å; C704-L1021 HydrophobicContact CB-CB 4.37Å; C704-L1021 HydrophobicContact CB-CD2 4.41Å
705F91.8Very high88.1Confident6 Ų630.2 Ų30.23%0.02618%0.177CC..THydrogen-bonded Turntrans-80.2-3179.9-85.5-119.3000114.4L450 K451 A701 V703 V707 L718 L1020 L1021 P1024L450-F705 HydrophobicContact CD1-CB 3.99Å; L450-F705 HydrophobicContact CD1-CD1 3.95Å; L450-F705 HydrophobicContact CD1-CD2 3.98Å; L450-F705 HydrophobicContact CD1-CE1 4.41Å; L450-F705 HydrophobicContact CD1-CE2 4.47Å; L450-F705 HydrophobicContact CD1-CG 3.7Å; K451-F705 WeakPolarHBondContact O-CB 3.35Å; A701-F705 WeakPolarHBondContact O-CB 3.42Å; A701-F705 VanDerWaalsContact O-CD2 3.25Å; A701-F705 WeakPolarHBondContact O-CD2 3.29Å; A701-F705 PolarHBondContact O-N 3.2Å; V703-F705 VanDerWaalsContact C-N 3.28Å; V703-F705 PolarHBondContact O-N 3.04Å; F705-V707 PolarHBondContact O-N 3.39Å; F705-L718 HydrophobicContact CE1-CD2 3.45Å; F705-L718 VanDerWaalsContact CE1-CD2 3.45Å; F705-L718 HydrophobicContact CZ-CD2 3.76Å; F705-L1020 HydrophobicContact CE2-CG 4.14Å; F705-L1020 WeakPolarHBondContact CE2-O 3.35Å; F705-L1020 HydrophobicContact CZ-CD1 3.83Å; F705-L1020 HydrophobicContact CZ-CD2 4.49Å; F705-L1020 HydrophobicContact CZ-CG 3.83Å; F705-L1021 HydrophobicContact CD2-CD2 4.39Å; F705-L1021 HydrophobicContact CE2-CD2 3.97Å; F705-P1024 HydrophobicContact CD2-CG 4.32Å; F705-P1024 HydrophobicContact CE2-CG 4.47Å
706N87.9Confident88.3Confident62 Ų6229.3 Ų29.333%0.33217%0.174SC..THydrogen-bonded Turntrans-68.1-13.1174.7-162.128.1000112.4S702 V703 C704S702-N706 PolarHBondContact O-N 3.13Å; V703-N706 VanDerWaalsContact O-CB 3.24Å; V703-N706 WeakPolarHBondContact O-CB 3.3Å; V703-N706 PolarHBondContact O-N 3.39Å; C704-N706 VanDerWaalsContact C-N 3.27Å; C704-N706 PolarHBondContact O-N 2.87Å
707V85.8Confident88.4Confident12 Ų1229.2 Ų29.27%0.07317%0.174CC..SBendtrans-80.6119.6170.5-175.60000108.5E30 F705 I709 P1024 T1028E30-V707 HydrophobicContact CB-CG2 4.13Å; E30-V707 HydrophobicContact CG-CG1 3.97Å; E30-V707 HydrophobicContact CG-CG2 3.68Å; F705-V707 PolarHBondContact O-N 3.39Å; V707-I709 PolarHBondContact O-N 2.68Å; V707-P1024 HydrophobicContact CB-CB 3.88Å; V707-P1024 HydrophobicContact CG1-CB 4.4Å; V707-P1024 WeakPolarHBondContact CG1-O 3.15Å; V707-T1028 HydrophobicContact CG1-CG2 3.65Å
708P85.2Confident88.6Confident74 Ų7428.6 Ų28.648%0.48117%0.17SC..  trans-65.1136.6179.127.2-33.3000110.7N453 P710N453-P708 WeakPolarHBondContact OD1-CA 3.41Å; P708-P710 WeakPolarHBondContact O-CD 3.19Å
709I87.9Confident88.6Confident1 Ų128.6 Ų28.61%0.00517%0.169CC..  trans-108.686.7-179.1-45.7177.1000107.4L452 N453 V707 T711 A712 L718 Y1023 P1024L452-I709 HydrophobicContact CD1-CB 4.46Å; L452-I709 HydrophobicContact CD1-CD1 3.86Å; L452-I709 HydrophobicContact CD1-CG1 4.44Å; N453-I709 PolarHBondContact ND2-O 2.92Å; N453-I709 PolarHBondContact OD1-N 3.49Å; V707-I709 PolarHBondContact O-N 2.68Å; I709-T711 PolarHBondContact O-N 2.92Å; I709-A712 HydrophobicContact CB-CB 4.33Å; I709-A712 HydrophobicContact CG2-CB 3.64Å; I709-A712 PolarHBondContact O-N 2.91Å; I709-A712 VanDerWaalsContact O-N 3.13Å; I709-L718 HydrophobicContact CD1-CD1 3.85Å; I709-L718 HydrophobicContact CD1-CD2 4.46Å; I709-Y1023 HydrophobicContact CD1-CD1 4.47Å; I709-Y1023 HydrophobicContact CG2-CD1 4.13Å; I709-Y1023 HydrophobicContact CG2-CE1 3.71Å; I709-P1024 HydrophobicContact CD1-CB 4.05Å; I709-P1024 HydrophobicContact CD1-CG 3.73Å; I709-P1024 HydrophobicContact CG1-CB 3.96Å; I709-P1024 HydrophobicContact CG1-CG 4.21Å
710P81Confident88.5Confident96 Ų9629.8 Ų29.862%0.62318%0.176SC*.THydrogen-bonded Turntrans-65-22.1-176.526.8-35.2000112.5P708P708-P710 WeakPolarHBondContact O-CD 3.19Å
711T82.3Confident88.5Confident65 Ų6529.5 Ų29.540%0.39917%0.174SC..THydrogen-bonded Turntrans-78.4-20.2178.653.80000112.7I709 D717 K721 Y1023I709-T711 PolarHBondContact O-N 2.92Å; T711-D717 VanDerWaalsContact O-OD2 3.14Å; T711-K721 PolarHBondContact O-NZ 2.99Å; T711-Y1023 PolarHBondContact OG1-OH 3.18Å
712A85.4Confident88.5Confident0 Ų029.5 Ų29.50%017%0.174CC..  trans-120.2107.1-173.700000111.8N453 I709 D717 L718 K721N453-A712 PolarHBondContact ND2-O 2.94Å; I709-A712 HydrophobicContact CB-CB 4.33Å; I709-A712 HydrophobicContact CG2-CB 3.64Å; I709-A712 PolarHBondContact O-N 2.91Å; I709-A712 VanDerWaalsContact O-N 3.13Å; A712-D717 WeakPolarHBondContact CA-OD2 3.36Å; A712-L718 HydrophobicContact CB-CB 4.09Å; A712-L718 HydrophobicContact CB-CD1 4.2Å; A712-K721 HydrophobicContact CB-CD 4.44Å
713N83.8Confident88.3Confident117 Ų11730.3 Ų30.363%0.62618%0.182SC*.  trans-96-18.7-177.6-66.8-40.7000113.6
714T87.2Confident88.2Confident71 Ų7129.7 Ų29.744%0.43618%0.178SC..SBendtrans-130.7157.8-179.768.90000110.9A716 D717 L718T714-A716 VanDerWaalsContact C-N 3.29Å; T714-A716 PolarHBondContact O-N 3.28Å; T714-D717 PolarHBondContact O-N 2.84Å; T714-D717 WeakPolarHBondContact OG1-CB 3.5Å; T714-D717 PolarHBondContact OG1-N 3.22Å; T714-L718 PolarHBondContact O-N 3.03Å
715C87.6Confident87.9Confident12 Ų1230.3 Ų30.38%0.08118%0.181CC..Hα-helixtrans-61.7-37.3175.9-68.40000112.4C719 W740 N741 I744C715-C719 WeakPolarHBondContact O-CB 3.42Å; C715-C719 PolarHBondContact O-N 2.82Å; C715-C719 PolarHBondContact O-SG 3.09Å; C715-W740 HydrophobicContact CB-CB 3.86Å; C715-N741 PolarHBondContact SG-OD1 3.35Å; C715-I744 HydrophobicContact CB-CD1 3.38Å
716A87.1Confident87.4Confident10 Ų1030.1 Ų30.18%0.08318%0.181CC..Hα-helixtrans-61.3-47.5175.100000111.4T714 L718 C719 L720 W740 E908T714-A716 VanDerWaalsContact C-N 3.29Å; T714-A716 PolarHBondContact O-N 3.28Å; A716-L718 PolarHBondContact O-N 3.13Å; A716-C719 WeakPolarHBondContact O-CB 3.37Å; A716-C719 PolarHBondContact O-N 3.15Å; A716-L720 WeakPolarHBondContact O-CG 3.25Å; A716-L720 PolarHBondContact O-N 2.97Å; A716-W740 HydrophobicContact CB-CD2 4.12Å; A716-W740 HydrophobicContact CB-CG 3.92Å; A716-E908 HydrophobicContact CB-CG 4.45Å
717D88.5Confident86.9Confident24 Ų2433.9 Ų33.913%0.12820%0.196CC..Hα-helixtrans-63.8-41.7-179.6-176.730000112T711 A712 T714 C719 L720 K721T711-D717 VanDerWaalsContact O-OD2 3.14Å; A712-D717 WeakPolarHBondContact CA-OD2 3.36Å; T714-D717 PolarHBondContact O-N 2.84Å; T714-D717 WeakPolarHBondContact OG1-CB 3.5Å; T714-D717 PolarHBondContact OG1-N 3.22Å; D717-C719 PolarHBondContact O-N 3.13Å; D717-L720 PolarHBondContact O-N 3.46Å; D717-K721 WeakPolarHBondContact O-CB 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.43Å; D717-K721 PolarHBondContact O-N 3.36Å; D717-K721 WeakPolarHBondContact OD1-CE 3.42Å; D717-K721 IonicContact OD1-NZ 3.44Å; D717-K721 PolarHBondContact OD1-NZ 2.87Å; D717-K721 IonicContact OD2-NZ 3.58Å; D717-K721 PolarHBondContact OD2-NZ 3.36Å
718L91.6Very high86.5Confident0 Ų034.6 Ų34.60%020%0.202CC..Hα-helixtrans-60.8-45.3173.3-179.464.1000112L452 F705 I709 A712 T714 A716 L720 K721 C722 I744 L1020 Y1023L452-L718 HydrophobicContact CD1-CD2 4.15Å; F705-L718 HydrophobicContact CE1-CD2 3.45Å; F705-L718 VanDerWaalsContact CE1-CD2 3.45Å; F705-L718 HydrophobicContact CZ-CD2 3.76Å; I709-L718 HydrophobicContact CD1-CD1 3.85Å; I709-L718 HydrophobicContact CD1-CD2 4.46Å; A712-L718 HydrophobicContact CB-CB 4.09Å; A712-L718 HydrophobicContact CB-CD1 4.2Å; T714-L718 PolarHBondContact O-N 3.03Å; A716-L718 PolarHBondContact O-N 3.13Å; L718-L720 VanDerWaalsContact C-N 3.34Å; L718-L720 PolarHBondContact O-N 3.29Å; L718-K721 PolarHBondContact O-N 3.24Å; L718-C722 WeakPolarHBondContact O-CB 3.38Å; L718-C722 PolarHBondContact O-N 3.17Å; L718-C722 PolarHBondContact O-SG 3.23Å; L718-I744 HydrophobicContact CD2-CD1 4.26Å; L718-L1020 HydrophobicContact CD2-CD1 3.95Å; L718-L1020 HydrophobicContact CG-CD1 4.07Å; L718-Y1023 HydrophobicContact CD1-CD1 3.6Å; L718-Y1023 HydrophobicContact CD1-CE1 3.99Å
719C91.4Very high86.1Confident0 Ų033.2 Ų33.20%019%0.188CC..Hα-helixtrans-61.1-41.8178.1-78.80000112.2C715 A716 D717 C722 G723 I724 W740 I744C715-C719 WeakPolarHBondContact O-CB 3.42Å; C715-C719 PolarHBondContact O-N 2.82Å; C715-C719 PolarHBondContact O-SG 3.09Å; A716-C719 WeakPolarHBondContact O-CB 3.37Å; A716-C719 PolarHBondContact O-N 3.15Å; D717-C719 PolarHBondContact O-N 3.13Å; C719-C722 CarbonylContact O-C 3.55Å; C719-C722 PolarHBondContact O-N 2.96Å; C719-G723 PolarHBondContact O-N 3Å; C719-I724 HydrophobicContact CB-CB 3.95Å; C719-I724 HydrophobicContact CB-CG1 4.26Å; C719-I724 PolarHBondContact O-N 3.3Å; C719-W740 HydrophobicContact CB-CE3 3.54Å; C719-W740 HydrophobicContact CB-CH2 4.24Å; C719-W740 HydrophobicContact CB-CZ3 3.38Å; C719-W740 VanDerWaalsContact SG-CE3 3.55Å; C719-I744 WeakPolarHBondContact SG-CG1 3.49Å
720L89.9Confident85.3Confident26 Ų2636.2 Ų36.214%0.13620%0.203CC..Hα-helixtrans-63.1-46.3175.2-70.8172.1000111.2A716 D717 L718 C722 G723 A898 H901A716-L720 WeakPolarHBondContact O-CG 3.25Å; A716-L720 PolarHBondContact O-N 2.97Å; D717-L720 PolarHBondContact O-N 3.46Å; L718-L720 VanDerWaalsContact C-N 3.34Å; L718-L720 PolarHBondContact O-N 3.29Å; L720-C722 PolarHBondContact O-N 2.99Å; L720-G723 PolarHBondContact O-N 3.44Å; L720-G723 VanDerWaalsContact O-N 3.07Å; L720-A898 HydrophobicContact CB-CB 3.9Å; L720-H901 HydrophobicContact CD1-CB 4.09Å
721K92Very high84.5Confident22 Ų2237.8 Ų37.810%0.09621%0.205CC..Hα-helixtrans-63.6-23.9177-80163169.6141.30114.2T711 A712 D717 L718 L894 A898 Y1023T711-K721 PolarHBondContact O-NZ 2.99Å; A712-K721 HydrophobicContact CB-CD 4.44Å; D717-K721 WeakPolarHBondContact O-CB 3.31Å; D717-K721 WeakPolarHBondContact O-CG 3.43Å; D717-K721 PolarHBondContact O-N 3.36Å; D717-K721 WeakPolarHBondContact OD1-CE 3.42Å; D717-K721 IonicContact OD1-NZ 3.44Å; D717-K721 PolarHBondContact OD1-NZ 2.87Å; D717-K721 IonicContact OD2-NZ 3.58Å; D717-K721 PolarHBondContact OD2-NZ 3.36Å; L718-K721 PolarHBondContact O-N 3.24Å; K721-L894 WeakPolarHBondContact O-CB 3.38Å; K721-A898 HydrophobicContact CG-CB 3.8Å; K721-Y1023 HydrophobicContact CB-CE1 4.17Å; K721-Y1023 HydrophobicContact CB-CE2 4.21Å; K721-Y1023 HydrophobicContact CD-CE1 4.46Å; K721-Y1023 WeakPolarHBondContact CD-OH 3.5Å
722C93.2Very high83.5Confident0 Ų037.6 Ų37.60%020%0.2CC..THydrogen-bonded Turntrans-99.2-0.2175.9-620000113.4L718 C719 L720 I724 R1019 L1020L718-C722 WeakPolarHBondContact O-CB 3.38Å; L718-C722 PolarHBondContact O-N 3.17Å; L718-C722 PolarHBondContact O-SG 3.23Å; C719-C722 CarbonylContact O-C 3.55Å; C719-C722 PolarHBondContact O-N 2.96Å; L720-C722 PolarHBondContact O-N 2.99Å; C722-I724 VanDerWaalsContact C-N 3.34Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.85Å; C722-I724 PolarHBondContact O-N 3.48Å; C722-R1019 HydrophobicContact CB-CB 4.47Å; C722-R1019 PolarHBondContact O-NE 3.4Å; C722-L1020 HydrophobicContact CB-CD1 4.42Å
723G90.9Very high82.4Confident17 Ų1744.1 Ų44.118%0.17523%0.231CC..THydrogen-bonded Turntrans58.944.3-177.900000112.6C719 L720 R1019C719-G723 PolarHBondContact O-N 3Å; L720-G723 PolarHBondContact O-N 3.44Å; L720-G723 VanDerWaalsContact O-N 3.07Å; G723-R1019 PolarHBondContact O-NH2 2.75Å
724I90Very high81Confident8 Ų848.5 Ų48.54%0.04125%0.247CC..  trans-82126.1178-56.5-60000109.1C719 C722 P726 Y729 I743 Q1016 L1020C719-I724 HydrophobicContact CB-CB 3.95Å; C719-I724 HydrophobicContact CB-CG1 4.26Å; C719-I724 PolarHBondContact O-N 3.3Å; C722-I724 VanDerWaalsContact C-N 3.34Å; C722-I724 HydrophobicContact CB-CD1 4.08Å; C722-I724 HydrophobicContact CB-CG1 3.85Å; C722-I724 PolarHBondContact O-N 3.48Å; I724-P726 WeakPolarHBondContact O-CD 3.41Å; I724-Y729 HydrophobicContact CG2-CE2 3.89Å; I724-I743 HydrophobicContact CG2-CG2 3.69Å; I724-Q1016 HydrophobicContact CD1-CB 3.7Å; I724-Q1016 HydrophobicContact CD1-CG 4.17Å; I724-Q1016 WeakPolarHBondContact CD1-O 3.32Å; I724-L1020 HydrophobicContact CD1-CB 4.36Å
725N85.7Confident79.7Confident13 Ų1348.8 Ų48.87%0.0726%0.264CS..  trans-98113.5176.2-178.91.7000110.3Q727 S728N725-Q727 PolarHBondContact O-N 3.03Å; N725-Q727 WeakPolarHBondContact OD1-CB 3.46Å; N725-Q727 PolarHBondContact OD1-N 3.28Å; N725-S728 VanDerWaalsContact O-CB 3.27Å; N725-S728 WeakPolarHBondContact O-CB 3.45Å; N725-S728 PolarHBondContact O-N 3.45Å; N725-S728 PolarHBondContact O-OG 3.11Å
726P81.3Confident78.8Confident3 Ų352.1 Ų52.12%0.01928%0.279CS..G310 helixtrans-50-39.1176-29.436.4000114.4I724 S728 Y729 I730 M732 I738 W740 I743 I911I724-P726 WeakPolarHBondContact O-CD 3.41Å; P726-S728 PolarHBondContact O-N 3.47Å; P726-S728 VanDerWaalsContact O-N 3.12Å; P726-Y729 PolarHBondContact O-N 3.36Å; P726-Y729 VanDerWaalsContact O-N 3.13Å; P726-I730 PolarHBondContact O-N 3.44Å; P726-M732 HydrophobicContact CB-SD 3.94Å; P726-I738 HydrophobicContact CB-CD1 4.15Å; P726-I738 HydrophobicContact CB-CG2 4.36Å; P726-I738 HydrophobicContact CG-CD1 3.81Å; P726-I738 HydrophobicContact CG-CG2 4.25Å; P726-W740 HydrophobicContact CG-CH2 3.55Å; P726-W740 HydrophobicContact CG-CZ2 4.37Å; P726-W740 HydrophobicContact CG-CZ3 3.71Å; P726-I743 HydrophobicContact CB-CD1 3.67Å; P726-I743 HydrophobicContact CG-CD1 4.1Å; P726-I911 HydrophobicContact CG-CD1 4.2Å
727Q77.5Confident78.1Confident140 Ų14059.1 Ų59.165%0.65431%0.307SS*.G310 helixtrans-65.6-16-178.5-62.3176.8-22.400113.2N725 Y729N725-Q727 PolarHBondContact O-N 3.03Å; N725-Q727 WeakPolarHBondContact OD1-CB 3.46Å; N725-Q727 PolarHBondContact OD1-N 3.28Å; Q727-Y729 PolarHBondContact O-N 3.37Å
728S77.2Confident77.7Confident28 Ų2858.5 Ų58.520%0.19630%0.304CS..G310 helixtrans-74.6-15.2177.5-55.80000113.1N725 P726 Q1016N725-S728 VanDerWaalsContact O-CB 3.27Å; N725-S728 WeakPolarHBondContact O-CB 3.45Å; N725-S728 PolarHBondContact O-N 3.45Å; N725-S728 PolarHBondContact O-OG 3.11Å; P726-S728 PolarHBondContact O-N 3.47Å; P726-S728 VanDerWaalsContact O-N 3.12Å; S728-Q1016 PolarHBondContact OG-NE2 3.22Å
729Y76Confident77.3Confident44 Ų4465 Ų6517%0.17333%0.334CS..THydrogen-bonded Turntrans-121.5-31.2-172.1-58.1-77.2000113.3I724 P726 Q727 I743 E746 A747 P1013 Q1016I724-Y729 HydrophobicContact CG2-CE2 3.89Å; P726-Y729 PolarHBondContact O-N 3.36Å; P726-Y729 VanDerWaalsContact O-N 3.13Å; Q727-Y729 PolarHBondContact O-N 3.37Å; Y729-I743 HydrophobicContact CD2-CG2 3.94Å; Y729-I743 HydrophobicContact CE2-CG2 4.38Å; Y729-E746 HydrophobicContact CD1-CB 4.12Å; Y729-E746 HydrophobicContact CD1-CG 3.73Å; Y729-E746 HydrophobicContact CG-CB 4.5Å; Y729-E746 HydrophobicContact CG-CG 4.33Å; Y729-A747 VanDerWaalsContact CE1-CA 3.45Å; Y729-A747 HydrophobicContact CE1-CB 3.82Å; Y729-A747 HydrophobicContact CE2-CB 3.9Å; Y729-A747 VanDerWaalsContact CZ-CB 3.42Å; Y729-A747 WeakPolarHBondContact OH-CB 3.49Å; Y729-P1013 HydrophobicContact CE1-CB 4.28Å; Y729-Q1016 WeakPolarHBondContact OH-CB 3.48Å; Y729-Q1016 PolarHBondContact OH-OE1 2.84Å
730I71.3Confident77Confident65 Ų6565.7 Ų65.733%0.33334%0.337SS..SBendtrans-132.1138.4-174.4-55.8173.6000109.7P726 M732 I743P726-I730 PolarHBondContact O-N 3.44Å; I730-M732 HydrophobicContact CG2-CG 4.5Å; I730-M732 PolarHBondContact O-N 3.1Å; I730-I743 HydrophobicContact CD1-CG1 3.9Å
731I64.2Low76.8Confident128 Ų12868.6 Ų68.666%0.65635%0.352SS*.  trans-72.8106.6166.8-52.8170.8000107Y759I731-Y759 WeakPolarHBondContact CD1-OH 3.32Å
732M62.1Low76.4Confident61 Ų6170 Ų7030%0.337%0.365SS..PPolyproline II helixtrans-95.1128.4179.7-69.5-163.971.500111P726 I730 I738P726-M732 HydrophobicContact CB-SD 3.94Å; I730-M732 HydrophobicContact CG2-CG 4.5Å; I730-M732 PolarHBondContact O-N 3.1Å; M732-I738 HydrophobicContact CE-CD1 4.18Å; M732-I738 HydrophobicContact CE-CG1 3.43Å; M732-I738 VanDerWaalsContact CE-CG1 3.43Å; M732-I738 HydrophobicContact SD-CD1 4.3Å; M732-I738 HydrophobicContact SD-CG1 4.01Å
733E61.5Low76.1Confident138 Ų13870 Ų7065%0.64537%0.365SS*.PPolyproline II helixtrans-84.3152.5164.4-61.1178.6162.900110.4G735 Q736E733-G735 PolarHBondContact O-N 3.45Å; E733-G735 VanDerWaalsContact O-N 3.17Å; E733-Q736 HydrophobicContact CB-CG 4.15Å; E733-Q736 PolarHBondContact O-N 2.93Å; E733-Q736 PolarHBondContact OE2-NE2 3.2Å
734H55.6Low76Confident208 Ų20869.2 Ų69.296%0.96336%0.357SS*.THydrogen-bonded Turntrans-57.8120.9178.5-78.1-63000111.2
735G60.1Low75.9Confident78 Ų7871 Ų7180%0.80437%0.366SS*.THydrogen-bonded Turntrans98.7-6.2175.900000115.9E733E733-G735 PolarHBondContact O-N 3.45Å; E733-G735 VanDerWaalsContact O-N 3.17Å
736Q66.8Low75.9Confident82 Ų8272.5 Ų72.538%0.38337%0.373SS..PPolyproline II helixtrans-69.2141.8175.9-69.6179.5-18.400112E733 N909E733-Q736 HydrophobicContact CB-CG 4.15Å; E733-Q736 PolarHBondContact O-N 2.93Å; E733-Q736 PolarHBondContact OE2-NE2 3.2Å; Q736-N909 PolarHBondContact O-ND2 2.9Å
737K74.4Confident76.2Confident157 Ų15772.4 Ų72.468%0.68337%0.372SS*.PPolyproline II helixtrans-72.4134.6175.2-172178.3178.9-179.20110.6E739K737-E739 PolarHBondContact O-N 3.19Å
738I78.6Confident76.7Confident10 Ų1065.7 Ų65.75%0.05134%0.341CS..PPolyproline II helixtrans-74.8119.4177.2-61.8-176.2000110.3P726 M732 W740 I743 N909P726-I738 HydrophobicContact CB-CD1 4.15Å; P726-I738 HydrophobicContact CB-CG2 4.36Å; P726-I738 HydrophobicContact CG-CD1 3.81Å; P726-I738 HydrophobicContact CG-CG2 4.25Å; M732-I738 HydrophobicContact CE-CD1 4.18Å; M732-I738 HydrophobicContact CE-CG1 3.43Å; M732-I738 VanDerWaalsContact CE-CG1 3.43Å; M732-I738 HydrophobicContact SD-CD1 4.3Å; M732-I738 HydrophobicContact SD-CG1 4.01Å; I738-W740 HydrophobicContact CD1-CZ2 4.07Å; I738-W740 HydrophobicContact CG2-CD2 3.59Å; I738-W740 HydrophobicContact CG2-CE3 4Å; I738-W740 HydrophobicContact CG2-CG 3.99Å; I738-W740 HydrophobicContact CG2-CH2 4.32Å; I738-W740 HydrophobicContact CG2-CZ2 3.91Å; I738-W740 HydrophobicContact CG2-CZ3 4.34Å; I738-W740 PolarHBondContact O-N 2.95Å; I738-I743 HydrophobicContact CG2-CD1 3.29Å; I738-N909 HydrophobicContact CD1-CB 4.36Å; I738-N909 HydrophobicContact CG1-CB 4.38Å; I738-N909 WeakPolarHBondContact CG1-OD1 3.33Å; I738-N909 PolarHBondContact N-OD1 3.4Å
739E82.9Confident76.8Confident136 Ų13665.4 Ų65.464%0.63634%0.337SS*.  trans-86.382.6170.6-67.9-168.317100110.9K737 N741 S742 I743K737-E739 PolarHBondContact O-N 3.19Å; E739-N741 PolarHBondContact O-N 3.17Å; E739-N741 VanDerWaalsContact O-N 3.17Å; E739-S742 WeakPolarHBondContact O-CB 3.48Å; E739-S742 PolarHBondContact O-N 3.19Å; E739-I743 PolarHBondContact O-N 3.34Å; E739-I743 VanDerWaalsContact O-N 3.09Å
740W85.8Confident76.3Confident15 Ų1564.5 Ų64.56%0.05734%0.342CS..Hα-helixtrans-56.6-32.9-177.9-69109.6000114.2C715 A716 C719 P726 I738 S742 I743 I744 E908C715-W740 HydrophobicContact CB-CB 3.86Å; A716-W740 HydrophobicContact CB-CD2 4.12Å; A716-W740 HydrophobicContact CB-CG 3.92Å; C719-W740 HydrophobicContact CB-CE3 3.54Å; C719-W740 HydrophobicContact CB-CH2 4.24Å; C719-W740 HydrophobicContact CB-CZ3 3.38Å; C719-W740 VanDerWaalsContact SG-CE3 3.55Å; P726-W740 HydrophobicContact CG-CH2 3.55Å; P726-W740 HydrophobicContact CG-CZ2 4.37Å; P726-W740 HydrophobicContact CG-CZ3 3.71Å; I738-W740 HydrophobicContact CD1-CZ2 4.07Å; I738-W740 HydrophobicContact CG2-CD2 3.59Å; I738-W740 HydrophobicContact CG2-CE3 4Å; I738-W740 HydrophobicContact CG2-CG 3.99Å; I738-W740 HydrophobicContact CG2-CH2 4.32Å; I738-W740 HydrophobicContact CG2-CZ2 3.91Å; I738-W740 HydrophobicContact CG2-CZ3 4.34Å; I738-W740 PolarHBondContact O-N 2.95Å; W740-S742 VanDerWaalsContact C-N 3.35Å; W740-I743 HydrophobicContact CE3-CD1 4.16Å; W740-I743 HydrophobicContact CZ3-CD1 4.48Å; W740-I743 PolarHBondContact O-N 3.48Å; W740-I744 WeakPolarHBondContact O-CG1 3.46Å; W740-I744 PolarHBondContact O-N 2.9Å; W740-E908 WeakPolarHBondContact CZ2-O 3.33Å
741N86.2Confident75.5Confident87 Ų8763.8 Ų63.847%0.46534%0.34SS..Hα-helixtrans-62.2-43.2175.2-68.7-11.9000111.8I457 C715 E739 N745I457-N741 HydrophobicContact CG2-CB 4.26Å; C715-N741 PolarHBondContact SG-OD1 3.35Å; E739-N741 PolarHBondContact O-N 3.17Å; E739-N741 VanDerWaalsContact O-N 3.17Å; N741-N745 WeakPolarHBondContact O-CB 3.43Å; N741-N745 PolarHBondContact O-N 2.88Å; N741-N745 VanDerWaalsContact O-N 3.08Å
742S84Confident74.6Confident51 Ų5161.9 Ų61.936%0.35733%0.331SS..Hα-helixtrans-66.2-42.8178.3-172.50000110.7E739 W740 N745 E746E739-S742 WeakPolarHBondContact O-CB 3.48Å; E739-S742 PolarHBondContact O-N 3.19Å; W740-S742 VanDerWaalsContact C-N 3.35Å; S742-N745 PolarHBondContact O-N 2.85Å; S742-E746 WeakPolarHBondContact O-CB 3.21Å; S742-E746 PolarHBondContact O-N 3.44Å
743I86.3Confident73.8Confident1 Ų162.6 Ų62.61%0.00534%0.336CS..Hα-helixtrans-63.9-46177.7-68.2163.8000111.9I724 P726 Y729 I730 I738 E739 W740 N745 E746 A747I724-I743 HydrophobicContact CG2-CG2 3.69Å; P726-I743 HydrophobicContact CB-CD1 3.67Å; P726-I743 HydrophobicContact CG-CD1 4.1Å; Y729-I743 HydrophobicContact CD2-CG2 3.94Å; Y729-I743 HydrophobicContact CE2-CG2 4.38Å; I730-I743 HydrophobicContact CD1-CG1 3.9Å; I738-I743 HydrophobicContact CG2-CD1 3.29Å; E739-I743 PolarHBondContact O-N 3.34Å; E739-I743 VanDerWaalsContact O-N 3.09Å; W740-I743 HydrophobicContact CE3-CD1 4.16Å; W740-I743 HydrophobicContact CZ3-CD1 4.48Å; W740-I743 PolarHBondContact O-N 3.48Å; I743-N745 VanDerWaalsContact C-N 3.27Å; I743-N745 PolarHBondContact O-N 3.35Å; I743-E746 PolarHBondContact O-N 3.34Å; I743-A747 WeakPolarHBondContact O-CB 3.07Å; I743-A747 PolarHBondContact O-N 3.14Å
744I89Confident72.8Confident0 Ų064 Ų640%034%0.342CS..Hα-helixtrans-59.2-44.2176.2-73.2177.4000110.1L450 I457 C715 L718 C719 W740 A747 A748 L1020L450-I744 HydrophobicContact CD2-CG2 4.09Å; I457-I744 HydrophobicContact CD1-CD1 4.23Å; I457-I744 HydrophobicContact CD1-CG2 4.07Å; I457-I744 HydrophobicContact CG2-CG2 4.47Å; C715-I744 HydrophobicContact CB-CD1 3.38Å; L718-I744 HydrophobicContact CD2-CD1 4.26Å; C719-I744 WeakPolarHBondContact SG-CG1 3.49Å; W740-I744 WeakPolarHBondContact O-CG1 3.46Å; W740-I744 PolarHBondContact O-N 2.9Å; I744-A747 PolarHBondContact O-N 3.19Å; I744-A748 WeakPolarHBondContact O-CB 3.46Å; I744-A748 PolarHBondContact O-N 3.35Å; I744-L1020 HydrophobicContact CG2-CD2 4.42Å
745N87.2Confident72Confident46 Ų4657 Ų5725%0.24631%0.314CS..Hα-helixtrans-62.4-47.8-179.7-161.640.6000111.1S458 N741 S742 I743 A748 I749S458-N745 VanDerWaalsContact CB-OD1 3.24Å; S458-N745 WeakPolarHBondContact CB-OD1 3.32Å; S458-N745 PolarHBondContact OG-OD1 3.4Å; N741-N745 WeakPolarHBondContact O-CB 3.43Å; N741-N745 PolarHBondContact O-N 2.88Å; N741-N745 VanDerWaalsContact O-N 3.08Å; S742-N745 PolarHBondContact O-N 2.85Å; I743-N745 VanDerWaalsContact C-N 3.27Å; I743-N745 PolarHBondContact O-N 3.35Å; N745-A748 PolarHBondContact O-N 3.36Å; N745-I749 VanDerWaalsContact O-CB 3.3Å; N745-I749 WeakPolarHBondContact O-CB 3.49Å; N745-I749 WeakPolarHBondContact O-CD1 3.47Å; N745-I749 WeakPolarHBondContact O-CG1 3.36Å; N745-I749 PolarHBondContact O-N 2.97Å; N745-I749 WeakPolarHBondContact OD1-CD1 3.4Å
746E86.3Confident70.9Confident44 Ų4458.6 Ų58.621%0.20630%0.296CS..Hα-helixtrans-66.1-40.3178.1-167.268.6-166.600112Y729 S742 I743 G750 T751 N752Y729-E746 HydrophobicContact CD1-CB 4.12Å; Y729-E746 HydrophobicContact CD1-CG 3.73Å; Y729-E746 HydrophobicContact CG-CB 4.5Å; Y729-E746 HydrophobicContact CG-CG 4.33Å; S742-E746 WeakPolarHBondContact O-CB 3.21Å; S742-E746 PolarHBondContact O-N 3.44Å; I743-E746 PolarHBondContact O-N 3.34Å; E746-G750 WeakPolarHBondContact O-CA 3.19Å; E746-G750 PolarHBondContact O-N 2.83Å; E746-T751 WeakPolarHBondContact OE1-CB 3.49Å; E746-T751 PolarHBondContact OE1-OG1 3.33Å; E746-T751 PolarHBondContact OE2-OG1 3.25Å; E746-N752 PolarHBondContact OE1-ND2 2.96Å
747A87.6Confident69.5Low1 Ų160.3 Ų60.31%0.00831%0.308CS..Hα-helixtrans-65.6-40.2177.600000112.5Y729 I743 I744 R1017 L1020Y729-A747 VanDerWaalsContact CE1-CA 3.45Å; Y729-A747 HydrophobicContact CE1-CB 3.82Å; Y729-A747 HydrophobicContact CE2-CB 3.9Å; Y729-A747 VanDerWaalsContact CZ-CB 3.42Å; Y729-A747 WeakPolarHBondContact OH-CB 3.49Å; I743-A747 WeakPolarHBondContact O-CB 3.07Å; I743-A747 PolarHBondContact O-N 3.14Å; I744-A747 PolarHBondContact O-N 3.19Å; A747-R1017 WeakPolarHBondContact O-CB 3.34Å; A747-R1017 VanDerWaalsContact O-CG 3.29Å; A747-R1017 WeakPolarHBondContact O-CG 3.33Å; A747-L1020 HydrophobicContact CB-CD2 3.98Å
748A87.1Confident67.5Low0 Ų059.7 Ų59.70%031%0.306CS..Hα-helixtrans-73-36.9178.500000112.5L450 A701 I744 N745 R1017 L1020L450-A748 HydrophobicContact CD2-CB 4.39Å; A701-A748 HydrophobicContact CB-CB 3.82Å; I744-A748 WeakPolarHBondContact O-CB 3.46Å; I744-A748 PolarHBondContact O-N 3.35Å; N745-A748 PolarHBondContact O-N 3.36Å; A748-R1017 PolarHBondContact O-NE 3.49Å; A748-R1017 PolarHBondContact O-NH2 2.86Å; A748-L1020 HydrophobicContact CB-CD2 4.03Å
749I80.1Confident65.5Low21 Ų2164.8 Ų64.811%0.10833%0.325CS..Hα-helixtrans-86.1-32.7-176.2-61.7171.4000111.8N694 S697 H698 N745 T751N694-I749 HydrophobicContact CB-CG2 4.03Å; S697-I749 VanDerWaalsContact OG-CA 3.26Å; S697-I749 WeakPolarHBondContact OG-CA 3.25Å; S697-I749 WeakPolarHBondContact OG-CG2 3.33Å; S697-I749 PolarHBondContact OG-O 3.02Å; H698-I749 HydrophobicContact CB-CD1 4.38Å; H698-I749 HydrophobicContact CB-CG1 4.08Å; N745-I749 VanDerWaalsContact O-CB 3.3Å; N745-I749 WeakPolarHBondContact O-CB 3.49Å; N745-I749 WeakPolarHBondContact O-CD1 3.47Å; N745-I749 WeakPolarHBondContact O-CG1 3.36Å; N745-I749 PolarHBondContact O-N 2.97Å; N745-I749 WeakPolarHBondContact OD1-CD1 3.4Å; I749-T751 VanDerWaalsContact C-N 3.35Å; I749-T751 HydrophobicContact CG2-CG2 3.79Å; I749-T751 PolarHBondContact O-N 3Å
750G65.3Low63.1Low26 Ų2667.6 Ų67.627%0.26834%0.335SS..  trans68.330.5177.200000114.2E746 N752E746-G750 WeakPolarHBondContact O-CA 3.19Å; E746-G750 PolarHBondContact O-N 2.83Å; G750-N752 PolarHBondContact O-N 3.32Å
751T53.9Low60.6Low50 Ų5075.2 Ų75.231%0.30737%0.371SS..THydrogen-bonded Turntrans-58.8-12.8-173.99.80000115.1N694 E746 I749N694-T751 HydrophobicContact CB-CG2 4.03Å; N694-T751 WeakPolarHBondContact ND2-CG2 3.2Å; E746-T751 WeakPolarHBondContact OE1-CB 3.49Å; E746-T751 PolarHBondContact OE1-OG1 3.33Å; E746-T751 PolarHBondContact OE2-OG1 3.25Å; I749-T751 VanDerWaalsContact C-N 3.35Å; I749-T751 HydrophobicContact CG2-CG2 3.79Å; I749-T751 PolarHBondContact O-N 3Å
752N45.6Very low58Low87 Ų8775.9 Ų75.947%0.46538%0.379SS..THydrogen-bonded Turntrans-135.238.7-168.3-85.9-48.9000116.7E746 G750 Q754 V755E746-N752 PolarHBondContact OE1-ND2 2.96Å; G750-N752 PolarHBondContact O-N 3.32Å; N752-Q754 PolarHBondContact O-N 3.47Å; N752-Q754 VanDerWaalsContact O-N 3.11Å; N752-V755 HydrophobicContact CB-CB 4.04Å; N752-V755 HydrophobicContact CB-CG2 3.81Å; N752-V755 PolarHBondContact O-N 3.06Å; N752-V755 WeakPolarHBondContact OD1-CG2 3.32Å
753I45.9Very low55.3Low77 Ų7778.8 Ų78.840%0.39539%0.39SS..Hα-helixtrans-56.8-26169-66171.9000111.9I1014I753-I1014 HydrophobicContact CD1-CD1 4.33Å; I753-I1014 HydrophobicContact CD1-CG1 4.1Å
754Q40.4Very low52.4Low168 Ų16888.7 Ų88.779%0.78543%0.433SS*.Hα-helixtrans-76.5-24.1175.8-72.2-172-900114.4N752 Y756 N757 K758N752-Q754 PolarHBondContact O-N 3.47Å; N752-Q754 VanDerWaalsContact O-N 3.11Å; Q754-Y756 VanDerWaalsContact C-N 3.34Å; Q754-N757 PolarHBondContact O-N 3.29Å; Q754-K758 PolarHBondContact O-N 3.48Å
755V38.7Very low49.4Very low61 Ų6196.1 Ų96.137%0.3747%0.473SS..Hα-helixtrans-69.5-38.2178.3175.30000109.8N752 N757 K758 Y759N752-V755 HydrophobicContact CB-CB 4.04Å; N752-V755 HydrophobicContact CB-CG2 3.81Å; N752-V755 PolarHBondContact O-N 3.06Å; N752-V755 WeakPolarHBondContact OD1-CG2 3.32Å; V755-N757 VanDerWaalsContact C-N 3.31Å; V755-N757 PolarHBondContact O-N 3.29Å; V755-K758 PolarHBondContact O-N 3.43Å; V755-Y759 HydrophobicContact CG1-CD2 3.57Å; V755-Y759 HydrophobicContact CG1-CE2 3.35Å; V755-Y759 VanDerWaalsContact O-CD2 3.22Å; V755-Y759 WeakPolarHBondContact O-CD2 3.42Å; V755-Y759 PolarHBondContact O-N 2.66Å; V755-Y759 VanDerWaalsContact O-N 3.13Å
756Y36.8Very low46.6Very low110 Ų110100.7 Ų100.743%0.43150%0.496SS..Hα-helixtrans-61.7-36.7176.1-152.4-95.3000112.9Q754 K758 Y759 K760 P1013Q754-Y756 VanDerWaalsContact C-N 3.34Å; Y756-K758 VanDerWaalsContact C-N 3.3Å; Y756-K758 PolarHBondContact O-N 3.36Å; Y756-Y759 PolarHBondContact O-N 2.97Å; Y756-K760 PolarHBondContact O-N 3.21Å; Y756-P1013 HydrophobicContact CD2-CG 4.32Å
757N36.8Very low43.7Very low119 Ų119107.4 Ų107.464%0.63652%0.524SS*.Hα-helixtrans-70-25.4176.1-76.1-11.1000113.2Q754 V755Q754-N757 PolarHBondContact O-N 3.29Å; V755-N757 VanDerWaalsContact C-N 3.31Å; V755-N757 PolarHBondContact O-N 3.29Å
758K33.2Very low40.9Very low144 Ų144114 Ų11463%0.62656%0.56SS**Hα-helixtrans-81.2-26.4175.5-140.7177.4-176.2-176.60112.8Q754 V755 Y756 E761 T762Q754-K758 PolarHBondContact O-N 3.48Å; V755-K758 PolarHBondContact O-N 3.43Å; Y756-K758 VanDerWaalsContact C-N 3.3Å; Y756-K758 PolarHBondContact O-N 3.36Å; K758-E761 PolarHBondContact O-N 3.1Å; K758-T762 PolarHBondContact O-OG1 3.45Å
759Y36.3Very low38Very low116 Ų116119.6 Ų119.646%0.45560%0.599SS.*Hα-helixtrans-76.6-27.9-179.9-87.6-74.2000114.2I731 V755 Y756 E761 T762I731-Y759 WeakPolarHBondContact CD1-OH 3.32Å; V755-Y759 HydrophobicContact CG1-CD2 3.57Å; V755-Y759 HydrophobicContact CG1-CE2 3.35Å; V755-Y759 VanDerWaalsContact O-CD2 3.22Å; V755-Y759 WeakPolarHBondContact O-CD2 3.42Å; V755-Y759 PolarHBondContact O-N 2.66Å; V755-Y759 VanDerWaalsContact O-N 3.13Å; Y756-Y759 PolarHBondContact O-N 2.97Å; Y759-E761 PolarHBondContact O-N 3.05Å; Y759-T762 PolarHBondContact O-N 3.45Å
760K32.8Very low35.6Very low195 Ų195124.8 Ų124.885%0.84863%0.631SS**THydrogen-bonded Turntrans-64.8-22.7174.4-141.6177.5-173.4177.20112.7Y756Y756-K760 PolarHBondContact O-N 3.21Å
761E32.5Very low34Very low175 Ų175128.7 Ų128.782%0.81865%0.652SS**THydrogen-bonded Turntrans-90.6-13.9178.1-71.6-171.3162.600114.7K758 Y759K758-E761 PolarHBondContact O-N 3.1Å; Y759-E761 PolarHBondContact O-N 3.05Å
762T33.2Very low32.8Very low101 Ų101133.6 Ų133.662%0.6268%0.676SS**THydrogen-bonded Turntrans-120.24.3-166.5-16.30000117.5K758 Y759K758-T762 PolarHBondContact O-OG1 3.45Å; Y759-T762 PolarHBondContact O-N 3.45Å
763L26.1Very low31.8Very low113 Ų113136 Ų13659%0.59269%0.689SS**  trans-135.566-178.4-13789.4000115.5
764F25.4Very low31Very low209 Ų209141 Ų14192%0.91771%0.71SS**SBendtrans-142.761.2150.4-89.8-76.5000109.6
765N26.6Very low30.7Very low155 Ų155138.5 Ų138.583%0.82971%0.708SS**  trans-142.232.7168.6-100.4-18.4000112.8K767N765-K767 VanDerWaalsContact C-N 3.26Å; N765-K767 PolarHBondContact O-N 2.62Å
766I28.6Very low30.3Very low143 Ų143144.3 Ų144.373%0.73373%0.732SS**  trans-90.672.3164.2-54.9174.8000107.7
767K24.5Very low29.9Very low184 Ų184146.9 Ų146.980%0.875%0.751SS**  trans-78.7107.1143.6-78.6-178.2178.1178.50104.8N765N765-K767 VanDerWaalsContact C-N 3.26Å; N765-K767 PolarHBondContact O-N 2.62Å
768N29.1Very low29.3Very low140 Ų140147.5 Ų147.575%0.74976%0.763SS**  trans-175.688.7147.7-88.1-16.2000108.8V770N768-V770 PolarHBondContact O-N 3.2Å
769S25.8Very low28.9Very low118 Ų118149.3 Ų149.383%0.82577%0.774SS**  trans-51.4120.4148.448.40000110.4
770V30.3Very low28.4Very low129 Ų129151 Ų15178%0.78279%0.79SS**  trans-137.4137153-1780000106.9N768N768-V770 PolarHBondContact O-N 3.2Å
771P32.1Very low27.9Very low108 Ų108150.8 Ų150.870%0.70179%0.792SS**  trans-86.7151.6-155.53.415.6000113.2D773P771-D773 PolarHBondContact O-N 2.77Å
772N28.6Very low27.7Very low153 Ų153151 Ų15182%0.81879%0.79SS**  trans-71.4102170.2-70.9-33.1000110.2
773D24.9Very low27.3Very low138 Ų138155.2 Ų155.274%0.73880%0.8SS**  trans-93.999.8155.5-77.7-32.2000108.2P771P771-D773 PolarHBondContact O-N 2.77Å
774H28Very low27.4Very low183 Ų183153.6 Ų153.685%0.84781%0.811SS**  trans-15493151.5-104.9-63.9000108.8E776H774-E776 PolarHBondContact O-N 3.22Å
775P35.3Very low27.5Very low114 Ų114149 Ų14974%0.7480%0.8SS**  trans-91.496.9175.532.9-23.9000108.2
776E29.4Very low27.5Very low184 Ų184149 Ų14986%0.8680%0.8SS**SBendtrans-160.19163.1-115.6164-147.500116.1H774H774-E776 PolarHBondContact O-N 3.22Å
777I28.4Very low27.5Very low164 Ų164152.1 Ų152.184%0.84181%0.809SS**SBendtrans-136.562.6174.2-44.5177.2000110.2
778C25.3Very low27.6Very low131 Ų131147.8 Ų147.889%0.88580%0.801SS**  trans-144.144.7170.2-95.20000111.4
779E24.6Very low27.6Very low182 Ų182148 Ų14885%0.8580%0.802SS**  trans-143.468.4166-88-168.3172.100110.7
780L24.7Very low27.9Very low153 Ų153152.9 Ų152.980%0.80181%0.809SS**  trans-121.192.1156.9-85.7164000107.9F782L780-F782 PolarHBondContact O-N 2.97Å
781Q23.2Very low27.8Very low189 Ų189157 Ų15788%0.88381%0.811SS**  trans-62.199.1172.4-70.3-177.8-11.300109.7K783Q781-K783 PolarHBondContact O-N 2.85Å
782F27.1Very low27.9Very low179 Ų179161.9 Ų161.979%0.78582%0.821SS**  trans-73.5107.7166.4-84.3-86.4000109.2L780 G784L780-F782 PolarHBondContact O-N 2.97Å; F782-G784 PolarHBondContact O-N 3.42Å
783K26.5Very low28.5Very low190 Ų190161.3 Ų161.383%0.82681%0.811SS**  trans-56.7122.6166.7-79-179.6176.1175.60108.6Q781 T785Q781-K783 PolarHBondContact O-N 2.85Å; K783-T785 PolarHBondContact O-N 2.95Å
784G27.2Very low29.2Very low79 Ų79160.3 Ų160.381%0.81481%0.806SS**  trans-50.7110.6178.800000112.1F782F782-G784 PolarHBondContact O-N 3.42Å
785T26.6Very low29.9Very low113 Ų113155.1 Ų155.169%0.69379%0.789SS**  trans-93110.2165.535.40000107.6K783 F787K783-T785 PolarHBondContact O-N 2.95Å; T785-F787 PolarHBondContact O-N 3.48Å; T785-F787 VanDerWaalsContact O-N 3.1Å
786N27.8Very low30.7Very low155 Ų155156.9 Ų156.983%0.82979%0.79SS**  trans-52.1115170.6-73.4-28.2000109.3S788N786-S788 VanDerWaalsContact C-N 3.26Å; N786-S788 PolarHBondContact O-N 2.69Å
787F28.5Very low31.9Very low209 Ų209154.5 Ų154.592%0.91778%0.778SS**SBendtrans-70.681.1176.7-86.6-90000110.5T785T785-F787 PolarHBondContact O-N 3.48Å; T785-F787 VanDerWaalsContact O-N 3.1Å
788S26.3Very low33.3Very low92 Ų92148.9 Ų148.964%0.64375%0.75SS**  trans-150.680.6158.764.40000107.9N786N786-S788 VanDerWaalsContact C-N 3.26Å; N786-S788 PolarHBondContact O-N 2.69Å
789D28.3Very low35Very low144 Ų144144.1 Ų144.177%0.7772%0.715SS**  trans-176.4129.2143.3-95.6-23.9000111.7R791D789-R791 PolarHBondContact O-N 3.31Å
790K32.6Very low37Very low221 Ų221138.5 Ų138.596%0.96170%0.696SS**  trans-59.995.4172.7-67.5172.5175.3177.90109.5
791R29.1Very low39.1Very low217 Ų217132.7 Ų132.782%0.81967%0.669SS**  trans-118.2139.8166.2-68.4-167.4-166.3-173.36.1110.6D789 F793D789-R791 PolarHBondContact O-N 3.31Å; R791-F793 PolarHBondContact O-N 2.99Å
792K33Very low41.3Very low210 Ų210123.8 Ų123.891%0.91363%0.627SS**  trans-42.5123.9179.8-72.4168.5169.7178.30111.3D794K792-D794 PolarHBondContact O-N 3.12Å
793F41.1Very low43.2Very low141 Ų141118.2 Ų118.262%0.61861%0.61SS**  trans-56122.1-179.5-82.1-102.5000111.9R791 C795 L798R791-F793 PolarHBondContact O-N 2.99Å; F793-C795 PolarHBondContact O-N 3.16Å; F793-L798 HydrophobicContact CD1-CD1 3.7Å; F793-L798 HydrophobicContact CE1-CD1 4.13Å
794D39.9Very low45.2Very low116 Ų116116.3 Ų116.362%0.6261%0.606SS**  trans-87.398.8165.7-141.4-19000108K792 M796K792-D794 PolarHBondContact O-N 3.12Å; D794-M796 PolarHBondContact O-N 3.38Å
795C43.1Very low47.3Very low75 Ų75113.9 Ų113.951%0.50757%0.574SS.*Hα-helixtrans-64.9-26.3-171-67.20000112.8F793 L798 N799F793-C795 PolarHBondContact O-N 3.16Å; C795-L798 PolarHBondContact O-N 3.05Å; C795-N799 WeakPolarHBondContact O-CB 3.15Å; C795-N799 PolarHBondContact O-N 3.5Å; C795-N799 PolarHBondContact O-ND2 2.89Å; C795-N799 PolarHBondContact O-OD1 3.34Å
796M51.7Low49.4Very low151 Ų151117.5 Ų117.574%0.74458%0.58SS**Hα-helixtrans-68.2-39.3-176.2-74.2-171.2171.800113.7D794 N799 S800D794-M796 PolarHBondContact O-N 3.38Å; M796-N799 PolarHBondContact O-N 2.77Å; M796-S800 PolarHBondContact O-N 3.49Å
797E54.3Low52Low134 Ų134115.2 Ų115.263%0.62657%0.568SS**Hα-helixtrans-71.7-32.2-179.9-126.4176.8-173.800112S800 S801E797-S800 PolarHBondContact O-OG 3.01Å; E797-S801 WeakPolarHBondContact O-CB 3.06Å; E797-S801 PolarHBondContact O-N 3.5Å; E797-S801 PolarHBondContact O-OG 2.93Å
798L57.6Low54.9Low46 Ų46107.1 Ų107.124%0.24154%0.537CS..Hα-helixtrans-73-37.2173-78.2167.4000112F793 C795 S801 L802 L859F793-L798 HydrophobicContact CD1-CD1 3.7Å; F793-L798 HydrophobicContact CE1-CD1 4.13Å; C795-L798 PolarHBondContact O-N 3.05Å; L798-S801 PolarHBondContact O-N 2.84Å; L798-L802 WeakPolarHBondContact O-CB 3.44Å; L798-L802 WeakPolarHBondContact O-CG 3.41Å; L798-L802 PolarHBondContact O-N 2.97Å; L798-L859 HydrophobicContact CD2-CD2 3.74Å
799N62.2Low58Low30 Ų30102.8 Ų102.816%0.1651%0.506CS..Hα-helixtrans-61.8-46.3177.3-74-7.4000111.8C795 M796 S801 L802 S803 L904C795-N799 WeakPolarHBondContact O-CB 3.15Å; C795-N799 PolarHBondContact O-N 3.5Å; C795-N799 PolarHBondContact O-ND2 2.89Å; C795-N799 PolarHBondContact O-OD1 3.34Å; M796-N799 PolarHBondContact O-N 2.77Å; N799-S801 VanDerWaalsContact C-N 3.31Å; N799-S801 PolarHBondContact O-N 3.02Å; N799-L802 PolarHBondContact O-N 3.13Å; N799-S803 VanDerWaalsContact O-CB 3.31Å; N799-S803 WeakPolarHBondContact O-CB 3.43Å; N799-S803 PolarHBondContact O-N 2.88Å; N799-S803 PolarHBondContact O-OG 2.84Å; N799-L904 PolarHBondContact ND2-O 3.01Å; N799-L904 WeakPolarHBondContact OD1-CD2 3.19Å; N799-L904 PolarHBondContact OD1-O 3.4Å
800S65.8Low61Low64 Ų6496.9 Ų96.945%0.44847%0.474SS..Hα-helixtrans-61.1-43.3176.463.20000111M796 E797 S803 M804M796-S800 PolarHBondContact O-N 3.49Å; E797-S800 PolarHBondContact O-OG 3.01Å; S800-S803 PolarHBondContact O-N 2.81Å; S800-S803 PolarHBondContact O-OG 3.49Å; S800-M804 WeakPolarHBondContact O-CG 3.47Å; S800-M804 PolarHBondContact O-N 3.17Å
801S69.5Low64Low32 Ų3286.4 Ų86.422%0.22443%0.429CS..Hα-helixtrans-62.7-48.8178.2-60.20000112.7E797 L798 N799 S803 M804 Y862E797-S801 WeakPolarHBondContact O-CB 3.06Å; E797-S801 PolarHBondContact O-N 3.5Å; E797-S801 PolarHBondContact O-OG 2.93Å; L798-S801 PolarHBondContact O-N 2.84Å; N799-S801 VanDerWaalsContact C-N 3.31Å; N799-S801 PolarHBondContact O-N 3.02Å; S801-S803 VanDerWaalsContact C-N 3.3Å; S801-S803 PolarHBondContact O-N 2.93Å; S801-M804 WeakPolarHBondContact O-CB 3.46Å; S801-M804 PolarHBondContact O-N 3.35Å; S801-M804 VanDerWaalsContact O-N 3.14Å; S801-Y862 WeakPolarHBondContact O-CE2 3.44Å
802L68.5Low67.2Low1 Ų176.2 Ų76.21%0.00539%0.391CS..Hα-helixtrans-66.7-32.1178.4-70.2174.3000112.2L798 N799 M804 L805 L858 Y862 L904 L912L798-L802 WeakPolarHBondContact O-CB 3.44Å; L798-L802 WeakPolarHBondContact O-CG 3.41Å; L798-L802 PolarHBondContact O-N 2.97Å; N799-L802 PolarHBondContact O-N 3.13Å; L802-M804 PolarHBondContact O-N 3.27Å; L802-L805 HydrophobicContact CD2-CD1 3.97Å; L802-L805 WeakPolarHBondContact O-CB 3.38Å; L802-L805 WeakPolarHBondContact O-CG 3.44Å; L802-L805 PolarHBondContact O-N 3.46Å; L802-L858 HydrophobicContact CD2-CB 4.49Å; L802-Y862 HydrophobicContact CD2-CG 4.43Å; L802-L904 HydrophobicContact CD1-CD1 4.37Å; L802-L912 HydrophobicContact CB-CD1 4.3Å
803S67.3Low70.2Confident63 Ų6366.2 Ų66.244%0.44135%0.348SS..Hα-helixtrans-65.8-18.3174.878.30000113.7N799 S800 S801 L805N799-S803 VanDerWaalsContact O-CB 3.31Å; N799-S803 WeakPolarHBondContact O-CB 3.43Å; N799-S803 PolarHBondContact O-N 2.88Å; N799-S803 PolarHBondContact O-OG 2.84Å; S800-S803 PolarHBondContact O-N 2.81Å; S800-S803 PolarHBondContact O-OG 3.49Å; S801-S803 VanDerWaalsContact C-N 3.3Å; S801-S803 PolarHBondContact O-N 2.93Å; S803-L805 VanDerWaalsContact C-N 3.27Å; S803-L805 PolarHBondContact O-N 2.87Å
804M68.7Low72.8Confident150 Ų15059.5 Ų59.574%0.73932%0.318SS*.THydrogen-bonded Turntrans-77.6-9.1175.3-56.9-158.480.600113.6S800 S801 L802 K806S800-M804 WeakPolarHBondContact O-CG 3.47Å; S800-M804 PolarHBondContact O-N 3.17Å; S801-M804 WeakPolarHBondContact O-CB 3.46Å; S801-M804 PolarHBondContact O-N 3.35Å; S801-M804 VanDerWaalsContact O-N 3.14Å; L802-M804 PolarHBondContact O-N 3.27Å; M804-K806 PolarHBondContact O-N 2.86Å
805L71.8Confident75.5Confident27 Ų2754 Ų5414%0.14129%0.289CS..  trans-66.9115.7178.1-71.9169.8000110.8L802 S803 Y861 Y862 Q865 L912L802-L805 HydrophobicContact CD2-CD1 3.97Å; L802-L805 WeakPolarHBondContact O-CB 3.38Å; L802-L805 WeakPolarHBondContact O-CG 3.44Å; L802-L805 PolarHBondContact O-N 3.46Å; S803-L805 VanDerWaalsContact C-N 3.27Å; S803-L805 PolarHBondContact O-N 2.87Å; L805-Y861 HydrophobicContact CD1-CD1 3.99Å; L805-Y861 HydrophobicContact CD1-CE1 4.09Å; L805-Y861 HydrophobicContact CD2-CD1 4.14Å; L805-Y861 HydrophobicContact CD2-CE1 3.85Å; L805-Y861 HydrophobicContact CG-CE1 4.48Å; L805-Y862 HydrophobicContact CD1-CD2 4.38Å; L805-Y862 HydrophobicContact CD2-CD2 3.93Å; L805-Y862 HydrophobicContact CG-CD2 4.05Å; L805-Q865 HydrophobicContact CD2-CB 4.12Å; L805-Q865 HydrophobicContact CD2-CG 4.02Å; L805-L912 HydrophobicContact CD1-CD2 4.46Å
806K70.6Confident77.8Confident189 Ų18950.5 Ų50.582%0.82227%0.265SS*.SBendtrans-71.3-32.7179.5-67.9-175.5179.1179.60113.4M804M804-K806 PolarHBondContact O-N 2.86Å
807N82.3Confident79.7Confident108 Ų10843.3 Ų43.358%0.57823%0.229SC*.SBendtrans-123.9137.3-175.8-67.1-24.1000110.7Y861N807-Y861 WeakPolarHBondContact O-CE1 3.06Å; N807-Y861 PolarHBondContact O-OH 2.85Å
808P88.5Confident81.3Confident39 Ų3937.4 Ų37.425%0.25320%0.203SC..PPolyproline II helixtrans-65150.9175.627.4-33.8000111.4I810 I911 L912 K914P808-I810 PolarHBondContact O-N 3.26Å; P808-I911 HydrophobicContact CB-CG2 4.5Å; P808-I911 WeakPolarHBondContact CB-O 3.34Å; P808-L912 CarbonylContact C-O 3.59Å; P808-L912 WeakPolarHBondContact CA-O 3.27Å; P808-K914 HydrophobicContact CB-CB 4.01Å; P808-K914 HydrophobicContact CG-CB 4.02Å; P808-K914 HydrophobicContact CG-CD 4.49Å
809L91.6Very high82.7Confident0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-67.1117.8165.3173.860.4000108.9I811 I840 A857 L858 Y861 L912 I913 K914L809-I811 HydrophobicContact CD2-CD1 4.23Å; L809-I811 HydrophobicContact CD2-CG1 4.31Å; L809-I811 HydrophobicContact CG-CD1 4.4Å; L809-I811 HydrophobicContact CG-CG1 4.01Å; L809-I840 HydrophobicContact CD1-CD1 3.97Å; L809-A857 HydrophobicContact CD2-CB 4.16Å; L809-L858 HydrophobicContact CB-CD2 4.14Å; L809-L858 HydrophobicContact CD2-CD2 4.32Å; L809-Y861 HydrophobicContact CB-CD1 3.96Å; L809-Y861 HydrophobicContact CB-CD2 4.49Å; L809-Y861 HydrophobicContact CB-CE1 4.2Å; L809-Y861 HydrophobicContact CB-CG 4.1Å; L809-Y861 HydrophobicContact CD1-CD2 3.81Å; L809-Y861 HydrophobicContact CD1-CE2 4.31Å; L809-Y861 HydrophobicContact CD1-CG 4.01Å; L809-Y861 HydrophobicContact CG-CG 4.46Å; L809-L912 PolarHBondContact N-O 3.06Å; L809-I913 WeakPolarHBondContact O-CA 3.47Å; L809-K914 PolarHBondContact O-N 3.27Å
810I93Very high84Confident20 Ų2034.3 Ų34.310%0.10319%0.189CC..EExtended strand (participates in β ladder)trans-88.1128.9178-57.4172.8000108.9P808 G880 K914 E1007P808-I810 PolarHBondContact O-N 3.26Å; I810-G880 WeakPolarHBondContact O-CA 3.34Å; I810-G880 PolarHBondContact O-N 3.42Å; I810-K914 CarbonylContact C-O 3.55Å; I810-K914 VanDerWaalsContact CA-O 3.28Å; I810-K914 WeakPolarHBondContact CA-O 3.49Å; I810-E1007 HydrophobicContact CD1-CB 3.98Å; I810-E1007 HydrophobicContact CD1-CG 3.72Å; I810-E1007 VanDerWaalsContact CD1-OE1 3.25Å; I810-E1007 WeakPolarHBondContact CD1-OE1 3.44Å; I810-E1007 WeakPolarHBondContact CD1-OE2 3.45Å; I810-E1007 HydrophobicContact CG2-CB 4.28Å; I810-E1007 HydrophobicContact CG2-CG 4.16Å
811I95Very high85.2Confident2 Ų232.6 Ų32.61%0.0117%0.173CC..EExtended strand (participates in β ladder)trans-122.3130.8-176.4-56.6-179.3000110.3L809 V813 I842 L854 G880 L882 I913 K914 I915 G916L809-I811 HydrophobicContact CD2-CD1 4.23Å; L809-I811 HydrophobicContact CD2-CG1 4.31Å; L809-I811 HydrophobicContact CG-CD1 4.4Å; L809-I811 HydrophobicContact CG-CG1 4.01Å; I811-V813 HydrophobicContact CG2-CG2 4.29Å; I811-I842 HydrophobicContact CD1-CD1 3.69Å; I811-I842 HydrophobicContact CG1-CD1 4.41Å; I811-L854 HydrophobicContact CD1-CD2 3.86Å; I811-G880 CarbonylContact C-O 3.54Å; I811-G880 WeakPolarHBondContact CA-O 3.46Å; I811-L882 HydrophobicContact CG2-CB 3.66Å; I811-I913 HydrophobicContact CD1-CG2 3.4Å; I811-I913 HydrophobicContact CG1-CG2 4.05Å; I811-K914 PolarHBondContact N-O 3.29Å; I811-I915 WeakPolarHBondContact O-CA 3.48Å; I811-G916 PolarHBondContact O-N 3.14Å
812T95.5Very high86.3Confident3 Ų331.4 Ų31.42%0.01816%0.164CC..EExtended strand (participates in β ladder)trans-91.5123.8162-60.80000109.1I814 H879 G880 I881 L882 C917 L1004T812-I814 HydrophobicContact CG2-CD1 3.95Å; T812-H879 PolarHBondContact OG1-NE2 3.15Å; T812-G880 PolarHBondContact N-O 3.37Å; T812-I881 WeakPolarHBondContact O-CA 3.48Å; T812-L882 PolarHBondContact O-N 3.39Å; T812-C917 CarbonylContact C-O 3.57Å; T812-C917 WeakPolarHBondContact CA-O 3.37Å; T812-C917 HydrophobicContact CG2-CB 4.28Å; T812-L1004 WeakPolarHBondContact CG2-O 3.33Å; T812-L1004 PolarHBondContact OG1-O 2.81Å
813V96.4Very high87.3Confident0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-96.7123.4179.3174.20000109.2I811 I893 I915 C917 V918 A919I811-V813 HydrophobicContact CG2-CG2 4.29Å; V813-I893 HydrophobicContact CB-CD1 4.27Å; V813-I893 HydrophobicContact CG1-CD1 3.35Å; V813-I893 HydrophobicContact CG2-CD1 3.86Å; V813-I915 HydrophobicContact CG2-CD1 4.2Å; V813-I915 HydrophobicContact CG2-CG1 4.37Å; V813-I915 HydrophobicContact CG2-CG2 4.06Å; V813-C917 PolarHBondContact N-O 3.02Å; V813-V918 HydrophobicContact CB-CB 4.47Å; V813-V918 HydrophobicContact CB-CG1 4.24Å; V813-V918 HydrophobicContact CB-CG2 4.12Å; V813-V918 HydrophobicContact CG1-CG1 4.17Å; V813-V918 WeakPolarHBondContact O-CA 3.43Å; V813-A919 PolarHBondContact O-N 3.46Å
814I96Very high88.4Confident0 Ų035.6 Ų35.60%018%0.178CC..EExtended strand (participates in β ladder)trans-111113.5173-54-59.6000108.4T812 K822 V826 I881 L882 C884 A919T812-I814 HydrophobicContact CG2-CD1 3.95Å; I814-K822 HydrophobicContact CG2-CB 4.01Å; I814-V826 HydrophobicContact CB-CG2 3.98Å; I814-V826 HydrophobicContact CG1-CG2 3.93Å; I814-V826 HydrophobicContact CG2-CG2 4.11Å; I814-I881 HydrophobicContact CG1-CD1 4.29Å; I814-I881 HydrophobicContact CG1-CG1 4.29Å; I814-L882 PolarHBondContact N-O 3.13Å; I814-C884 PolarHBondContact O-N 3.45Å; I814-A919 WeakPolarHBondContact CA-O 3.04Å; I814-A919 HydrophobicContact CD1-CB 3.88Å
815C95.3Very high89.4Confident1 Ų128.4 Ų28.41%0.00714%0.143CC..EExtended strand (participates in β ladder)trans-120.8174.6178.762.50000111.5C884 I888 A919 T920 C921 L942C815-C884 HydrophobicContact CB-CB 4.04Å; C815-I888 WeakPolarHBondContact CB-O 3.27Å; C815-A919 PolarHBondContact N-O 3.45Å; C815-T920 CarbonylContact O-C 3.6Å; C815-T920 WeakPolarHBondContact O-CA 3.36Å; C815-T920 PolarHBondContact SG-OG1 3.36Å; C815-C921 PolarHBondContact O-N 3Å; C815-L942 HydrophobicContact CB-CD2 4.41Å
816G93Very high90.4Very high0 Ų027.5 Ų27.50%014%0.138CC..  trans154.1156.4176.700000111.5C921G816-C921 VanDerWaalsContact CA-O 3.3Å; G816-C921 WeakPolarHBondContact CA-O 3.39Å
817P91.1Very high91.2Very high0 Ų020.4 Ų20.40%012%0.115CC..  trans-58.8160.8176.925.2-35000112.4G819 S820 I887 C921 F936 V939P817-G819 PolarHBondContact O-N 2.67Å; P817-S820 WeakPolarHBondContact O-CB 3.42Å; P817-S820 PolarHBondContact O-N 3.36Å; P817-S820 VanDerWaalsContact O-N 3.08Å; P817-S820 PolarHBondContact O-OG 3.47Å; P817-I887 HydrophobicContact CB-CD1 3.97Å; P817-C921 WeakPolarHBondContact CD-O 3.39Å; P817-F936 HydrophobicContact CB-CD1 3.62Å; P817-F936 HydrophobicContact CB-CE1 3.71Å; P817-F936 HydrophobicContact CB-CG 4.41Å; P817-V939 HydrophobicContact CB-CG2 4.11Å; P817-V939 HydrophobicContact CG-CG2 3.88Å
818P88Confident91.5Very high11 Ų1117.3 Ų17.37%0.07110%0.098CC..THydrogen-bonded Turntrans-49.5137168-26.435.6000111.6S820 F936 T1074 T1121P818-S820 VanDerWaalsContact C-N 3.25Å; P818-S820 PolarHBondContact O-N 3.41Å; P818-F936 HydrophobicContact CG-CE1 4.47Å; P818-F936 HydrophobicContact CG-CZ 4.41Å; P818-T1074 HydrophobicContact CB-CG2 3.76Å; P818-T1121 HydrophobicContact CB-CG2 4.49Å; P818-T1121 HydrophobicContact CG-CG2 4.11Å
819G86.5Confident91.4Very high11 Ų1115.6 Ų15.611%0.1139%0.087CC..THydrogen-bonded Turntrans77.81.3-177.500000115.4P817 R821P817-G819 PolarHBondContact O-N 2.67Å; G819-R821 PolarHBondContact O-N 2.94Å; G819-R821 VanDerWaalsContact O-N 3.16Å
820S90.6Very high91.1Very high0 Ų018.2 Ų18.20%010%0.1CC..SBendtrans-68.3-3.1172.959.30000114.6P817 P818 K822 C921 T954P817-S820 WeakPolarHBondContact O-CB 3.42Å; P817-S820 PolarHBondContact O-N 3.36Å; P817-S820 VanDerWaalsContact O-N 3.08Å; P817-S820 PolarHBondContact O-OG 3.47Å; P818-S820 VanDerWaalsContact C-N 3.25Å; P818-S820 PolarHBondContact O-N 3.41Å; S820-K822 PolarHBondContact O-N 3.45Å; S820-C921 WeakPolarHBondContact CB-O 3.2Å; S820-T954 VanDerWaalsContact O-CB 3.27Å; S820-T954 WeakPolarHBondContact O-CB 3.34Å; S820-T954 WeakPolarHBondContact O-CG2 3.3Å; S820-T954 PolarHBondContact O-OG1 3.4Å
821R90Very high90.6Very high27 Ų2723.5 Ų23.510%0.10213%0.129CC..  trans59.723.2-177-58.1166.9167.8-179.2-15.6113.9G819 E823 L824 V825 T954 D992 I1099G819-R821 PolarHBondContact O-N 2.94Å; G819-R821 VanDerWaalsContact O-N 3.16Å; R821-E823 PolarHBondContact O-N 3.43Å; R821-E823 VanDerWaalsContact O-N 3.16Å; R821-L824 HydrophobicContact CB-CB 4.39Å; R821-L824 HydrophobicContact CB-CD1 4.14Å; R821-L824 HydrophobicContact CB-CG 4.48Å; R821-L824 HydrophobicContact CG-CD1 4.22Å; R821-L824 WeakPolarHBondContact O-CB 3.15Å; R821-L824 PolarHBondContact O-N 3.07Å; R821-V825 PolarHBondContact O-N 3.4Å; R821-V825 VanDerWaalsContact O-N 3.12Å; R821-T954 PolarHBondContact NH1-O 2.89Å; R821-D992 IonicContact CZ-OD1 3.56Å; R821-D992 IonicContact NH1-OD1 2.64Å; R821-D992 PolarHBondContact NH1-OD1 3.32Å; R821-D992 IonicContact NH2-OD1 2.65Å; R821-D992 PolarHBondContact NH2-OD1 3.27Å; R821-I1099 VanDerWaalsContact NE-CD1 3.32Å
822K92.4Very high89.7Confident8 Ų827.8 Ų27.84%0.03515%0.148CC..Hα-helixtrans-54.8-30.5175.157.2-179.8-168.3-51.30112.7I814 S820 V825 V826 L883 C884 C921I814-K822 HydrophobicContact CG2-CB 4.01Å; S820-K822 PolarHBondContact O-N 3.45Å; K822-V825 PolarHBondContact O-N 2.98Å; K822-V826 WeakPolarHBondContact O-CG2 3.45Å; K822-V826 PolarHBondContact O-N 2.92Å; K822-L883 HydrophobicContact CB-CD1 4.08Å; K822-L883 HydrophobicContact CD-CD1 3.95Å; K822-L883 HydrophobicContact CG-CD1 3.79Å; K822-C884 WeakPolarHBondContact CE-O 3.48Å; K822-C921 HydrophobicContact CB-CB 3.95Å
823E90.4Very high88.4Confident83 Ų8329.2 Ų29.239%0.38816%0.156SC..Hα-helixtrans-64-42.3175.3-56.573.9-162.400111.6R821 V826 A827 L883R821-E823 PolarHBondContact O-N 3.43Å; R821-E823 VanDerWaalsContact O-N 3.16Å; E823-V826 PolarHBondContact O-N 2.89Å; E823-A827 WeakPolarHBondContact O-CB 3.15Å; E823-A827 PolarHBondContact O-N 3.24Å; E823-L883 HydrophobicContact CG-CD2 4.24Å
824L89.2Confident86.5Confident68 Ų6837.6 Ų37.636%0.35619%0.193SC..Hα-helixtrans-69.3-38.4176.6-65.8179.3000111.4R821 A827 N828R821-L824 HydrophobicContact CB-CB 4.39Å; R821-L824 HydrophobicContact CB-CD1 4.14Å; R821-L824 HydrophobicContact CB-CG 4.48Å; R821-L824 HydrophobicContact CG-CD1 4.22Å; R821-L824 WeakPolarHBondContact O-CB 3.15Å; R821-L824 PolarHBondContact O-N 3.07Å; L824-A827 PolarHBondContact O-N 3.21Å; L824-N828 WeakPolarHBondContact O-CB 3.34Å; L824-N828 VanDerWaalsContact O-CG 3.23Å; L824-N828 PolarHBondContact O-N 3.33Å; L824-N828 PolarHBondContact O-ND2 3.04Å; L824-N828 VanDerWaalsContact O-ND2 3.13Å
825V90.9Very high85Confident0 Ų046.9 Ų46.90%024%0.236CC..Hα-helixtrans-58.9-49.4175174.30000110.3R821 K822 A827 N828 I829 L952 T954R821-V825 PolarHBondContact O-N 3.4Å; R821-V825 VanDerWaalsContact O-N 3.12Å; K822-V825 PolarHBondContact O-N 2.98Å; V825-A827 PolarHBondContact O-N 3.33Å; V825-N828 PolarHBondContact O-N 3.38Å; V825-I829 HydrophobicContact CG1-CD1 3.76Å; V825-I829 HydrophobicContact CG1-CG1 4.45Å; V825-I829 VanDerWaalsContact O-CG1 3.25Å; V825-I829 WeakPolarHBondContact O-CG1 3.4Å; V825-I829 PolarHBondContact O-N 3.25Å; V825-L952 HydrophobicContact CG1-CD1 4.09Å; V825-T954 HydrophobicContact CG2-CG2 3.8Å
826V91Very high83.9Confident8 Ų850.6 Ų50.65%0.04826%0.262CS..Hα-helixtrans-61-46.3176.9171.60000111.5I814 K822 E823 N828 I829 L830 I881 L883I814-V826 HydrophobicContact CB-CG2 3.98Å; I814-V826 HydrophobicContact CG1-CG2 3.93Å; I814-V826 HydrophobicContact CG2-CG2 4.11Å; K822-V826 WeakPolarHBondContact O-CG2 3.45Å; K822-V826 PolarHBondContact O-N 2.92Å; E823-V826 PolarHBondContact O-N 2.89Å; V826-N828 VanDerWaalsContact C-N 3.28Å; V826-N828 PolarHBondContact O-N 3.01Å; V826-I829 PolarHBondContact O-N 2.87Å; V826-L830 HydrophobicContact CG1-CD1 3.95Å; V826-L830 HydrophobicContact CG1-CG 4.38Å; V826-L830 VanDerWaalsContact O-CG 3.3Å; V826-L830 WeakPolarHBondContact O-CG 3.45Å; V826-L830 PolarHBondContact O-N 2.83Å; V826-I881 HydrophobicContact CB-CD1 4.48Å; V826-I881 HydrophobicContact CG1-CD1 4.09Å; V826-I881 HydrophobicContact CG1-CG1 4.47Å; V826-I881 HydrophobicContact CG2-CD1 4.11Å; V826-I881 HydrophobicContact CG2-CG1 4.41Å; V826-L883 HydrophobicContact CG2-CB 4.33Å; V826-L883 HydrophobicContact CG2-CD1 4.03Å
827A89.4Confident83.2Confident40 Ų4052.1 Ų52.133%0.33127%0.27SS..Hα-helixtrans-59.3-40177.800000112.3E823 L824 V825 N831E823-A827 WeakPolarHBondContact O-CB 3.15Å; E823-A827 PolarHBondContact O-N 3.24Å; L824-A827 PolarHBondContact O-N 3.21Å; V825-A827 PolarHBondContact O-N 3.33Å; A827-N831 WeakPolarHBondContact O-CB 3.21Å; A827-N831 PolarHBondContact O-N 3.35Å; A827-N831 PolarHBondContact O-ND2 3.49Å; A827-N831 VanDerWaalsContact O-ND2 3.17Å
828N86.8Confident82.9Confident42 Ų4255.6 Ų55.623%0.22529%0.286CS..Hα-helixtrans-71.7-38.8178.6-71.6-30.9000112.5L824 V825 V826 L830 N831 F832 G993 K994L824-N828 WeakPolarHBondContact O-CB 3.34Å; L824-N828 VanDerWaalsContact O-CG 3.23Å; L824-N828 PolarHBondContact O-N 3.33Å; L824-N828 PolarHBondContact O-ND2 3.04Å; L824-N828 VanDerWaalsContact O-ND2 3.13Å; V825-N828 PolarHBondContact O-N 3.38Å; V826-N828 VanDerWaalsContact C-N 3.28Å; V826-N828 PolarHBondContact O-N 3.01Å; N828-L830 VanDerWaalsContact C-N 3.35Å; N828-N831 PolarHBondContact O-N 3.21Å; N828-F832 VanDerWaalsContact O-CB 3.3Å; N828-F832 WeakPolarHBondContact O-CB 3.45Å; N828-F832 PolarHBondContact O-N 2.93Å; N828-G993 VanDerWaalsContact ND2-C 3.32Å; N828-G993 PolarHBondContact ND2-O 3.5Å; N828-K994 WeakPolarHBondContact ND2-CA 2.93Å
829I86.7Confident82.9Confident4 Ų456.7 Ų56.72%0.02129%0.289CS..Hα-helixtrans-59.4-47.6173.1-68.2164.6000110.3V825 V826 N831 F832 V833 W839 I881 T995 L1001 L1004V825-I829 HydrophobicContact CG1-CD1 3.76Å; V825-I829 HydrophobicContact CG1-CG1 4.45Å; V825-I829 VanDerWaalsContact O-CG1 3.25Å; V825-I829 WeakPolarHBondContact O-CG1 3.4Å; V825-I829 PolarHBondContact O-N 3.25Å; V826-I829 PolarHBondContact O-N 2.87Å; I829-N831 VanDerWaalsContact C-N 3.29Å; I829-N831 PolarHBondContact O-N 2.9Å; I829-F832 PolarHBondContact O-N 3.14Å; I829-V833 PolarHBondContact O-N 3.17Å; I829-W839 HydrophobicContact CG2-CH2 3.73Å; I829-W839 HydrophobicContact CG2-CZ2 3.84Å; I829-I881 HydrophobicContact CD1-CD1 4.27Å; I829-I881 HydrophobicContact CG2-CD1 4.15Å; I829-T995 HydrophobicContact CG1-CG2 4.38Å; I829-L1001 HydrophobicContact CB-CD2 4.34Å; I829-L1001 HydrophobicContact CG1-CD2 3.84Å; I829-L1001 HydrophobicContact CG2-CD2 4.21Å; I829-L1004 HydrophobicContact CD1-CD1 3.77Å; I829-L1004 HydrophobicContact CG1-CD1 4.44Å
830L86.2Confident83.2Confident54 Ų5456.2 Ų56.228%0.28328%0.284SS..Hα-helixtrans-62.7-35179.1-68.9174.1000112.6V826 N828 W839 V841 I881V826-L830 HydrophobicContact CG1-CD1 3.95Å; V826-L830 HydrophobicContact CG1-CG 4.38Å; V826-L830 VanDerWaalsContact O-CG 3.3Å; V826-L830 WeakPolarHBondContact O-CG 3.45Å; V826-L830 PolarHBondContact O-N 2.83Å; N828-L830 VanDerWaalsContact C-N 3.35Å; L830-W839 HydrophobicContact CD2-CB 3.78Å; L830-W839 HydrophobicContact CD2-CD2 3.74Å; L830-W839 HydrophobicContact CD2-CE3 4.25Å; L830-W839 HydrophobicContact CD2-CG 3.54Å; L830-V841 HydrophobicContact CD1-CG2 3.81Å; L830-V841 HydrophobicContact CD2-CG2 3.93Å; L830-I881 HydrophobicContact CD2-CG2 4.22Å
831N82.5Confident83.3Confident132 Ų13259.8 Ų59.871%0.70631%0.305SS*.Hα-helixtrans-77.3-30.1177.6-72.1-24.4000113.5A827 N828 I829A827-N831 WeakPolarHBondContact O-CB 3.21Å; A827-N831 PolarHBondContact O-N 3.35Å; A827-N831 PolarHBondContact O-ND2 3.49Å; A827-N831 VanDerWaalsContact O-ND2 3.17Å; N828-N831 PolarHBondContact O-N 3.21Å; I829-N831 VanDerWaalsContact C-N 3.29Å; I829-N831 PolarHBondContact O-N 2.9Å
832F75.4Confident83.6Confident92 Ų9258.7 Ų58.740%0.40430%0.302SS..Hα-helixtrans-80.1-36.6-173.5-167.7-77.5000112.6N828 I829 K834 L1001N828-F832 VanDerWaalsContact O-CB 3.3Å; N828-F832 WeakPolarHBondContact O-CB 3.45Å; N828-F832 PolarHBondContact O-N 2.93Å; I829-F832 PolarHBondContact O-N 3.14Å; F832-K834 PolarHBondContact O-N 3.23Å; F832-L1001 HydrophobicContact CB-CD1 4.05Å; F832-L1001 HydrophobicContact CD1-CD1 2.94Å; F832-L1001 HydrophobicContact CD1-CG 4.43Å; F832-L1001 HydrophobicContact CD2-CD1 4.19Å; F832-L1001 HydrophobicContact CE1-CD1 3.19Å; F832-L1001 HydrophobicContact CE2-CD1 4.38Å; F832-L1001 HydrophobicContact CG-CD1 3.48Å; F832-L1001 VanDerWaalsContact CG-CD1 3.48Å; F832-L1001 HydrophobicContact CZ-CD1 3.93Å
833V67.7Low83.6Confident32 Ų3264.7 Ų64.719%0.19433%0.328CS..SBendtrans-76.3113-175.31770000110.9I829 I837 W839I829-V833 PolarHBondContact O-N 3.17Å; V833-I837 HydrophobicContact CG1-CB 3.98Å; V833-I837 HydrophobicContact CG1-CD1 3.87Å; V833-I837 HydrophobicContact CG1-CG1 3.97Å; V833-W839 HydrophobicContact CB-CZ2 4.26Å; V833-W839 HydrophobicContact CG1-CZ2 4.45Å; V833-W839 HydrophobicContact CG2-CZ2 3.94Å
834K57.7Low83.7Confident176 Ų17661 Ų6177%0.76531%0.31SS*.  trans-80.8126.6-179.7-64.3-179179.1179.90111.6F832 S836F832-K834 PolarHBondContact O-N 3.23Å; K834-S836 PolarHBondContact O-N 2.72Å; K834-S836 PolarHBondContact O-OG 2.9Å
835E64.2Low83.4Confident196 Ų19663.5 Ų63.592%0.91632%0.324SS*.SBendtrans47.8-26.2154.7-64.8174-175.400121.1
836S71.6Confident83.1Confident78 Ų7866 Ų6655%0.54534%0.338SS..SBendtrans-93.3-8.5-17265.40000115.5K834 R877K834-S836 PolarHBondContact O-N 2.72Å; K834-S836 PolarHBondContact O-OG 2.9Å; S836-R877 PolarHBondContact O-N 3.21Å
837I79.5Confident82.8Confident33 Ų3368.3 Ų68.317%0.16935%0.354CS..EExtended strand (participates in β ladder)trans-120.8124.8-177.4-55-171.3000109.6V833 W839 R877 H879 M1005V833-I837 HydrophobicContact CG1-CB 3.98Å; V833-I837 HydrophobicContact CG1-CD1 3.87Å; V833-I837 HydrophobicContact CG1-CG1 3.97Å; I837-W839 HydrophobicContact CG2-CD2 4.34Å; I837-R877 CarbonylContact C-O 3.29Å; I837-R877 VanDerWaalsContact CA-O 3.27Å; I837-R877 WeakPolarHBondContact CA-O 3.43Å; I837-R877 WeakPolarHBondContact CG2-O 3.12Å; I837-H879 HydrophobicContact CG2-CB 3.82Å; I837-M1005 HydrophobicContact CD1-CE 3.68Å
838E84.8Confident82.6Confident72 Ų7272.9 Ų72.934%0.33637%0.373SS..EExtended strand (participates in β ladder)trans-89.7113.1171.7-171.3169.5177.100109.9I864 R877 C878 H879E838-I864 HydrophobicContact CG-CD1 4.19Å; E838-I864 WeakPolarHBondContact OE1-CD1 3.44Å; E838-I864 WeakPolarHBondContact OE1-CG1 3.45Å; E838-I864 WeakPolarHBondContact OE2-CG2 3.45Å; E838-R877 PolarHBondContact N-O 3.36Å; E838-C878 WeakPolarHBondContact O-CA 3.4Å; E838-H879 PolarHBondContact O-N 3.09Å
839W87.9Confident82.8Confident34 Ų3474.3 Ų74.313%0.12938%0.379CS..EExtended strand (participates in β ladder)trans-87127.6-176.3-7199.4000112.8I829 L830 V833 I837 V841 H879 I881 M1005I829-W839 HydrophobicContact CG2-CH2 3.73Å; I829-W839 HydrophobicContact CG2-CZ2 3.84Å; L830-W839 HydrophobicContact CD2-CB 3.78Å; L830-W839 HydrophobicContact CD2-CD2 3.74Å; L830-W839 HydrophobicContact CD2-CE3 4.25Å; L830-W839 HydrophobicContact CD2-CG 3.54Å; V833-W839 HydrophobicContact CB-CZ2 4.26Å; V833-W839 HydrophobicContact CG1-CZ2 4.45Å; V833-W839 HydrophobicContact CG2-CZ2 3.94Å; I837-W839 HydrophobicContact CG2-CD2 4.34Å; W839-V841 HydrophobicContact CB-CG2 4.5Å; W839-H879 WeakPolarHBondContact CA-O 3.16Å; W839-H879 HydrophobicContact CE3-CB 4.4Å; W839-H879 HydrophobicContact CZ3-CB 4.4Å; W839-H879 AromaticContact CZ3-CD2 3.6Å; W839-I881 HydrophobicContact CE3-CB 3.89Å; W839-I881 HydrophobicContact CE3-CG2 3.85Å; W839-I881 HydrophobicContact CZ3-CB 3.76Å; W839-I881 HydrophobicContact CZ3-CD1 4.15Å; W839-I881 HydrophobicContact CZ3-CG1 4.48Å; W839-I881 HydrophobicContact CZ3-CG2 4.2Å; W839-M1005 HydrophobicContact CH2-CE 4.2Å; W839-M1005 HydrophobicContact CH2-SD 3.33Å; W839-M1005 WeakPolarHBondContact CH2-SD 3.24Å; W839-M1005 HydrophobicContact CZ2-SD 3.89Å; W839-M1005 HydrophobicContact CZ3-SD 4.22Å
840I92.1Very high83Confident2 Ų274.2 Ų74.21%0.0138%0.378CS..EExtended strand (participates in β ladder)trans-100.197.4165.9-60.1175.7000107.7L809 I842 A857 K860 Y861 I864 H879 G880 I881L809-I840 HydrophobicContact CD1-CD1 3.97Å; I840-I842 HydrophobicContact CG2-CG1 4.26Å; I840-A857 HydrophobicContact CG2-CB 3.78Å; I840-K860 HydrophobicContact CG1-CD 4.36Å; I840-K860 HydrophobicContact CG2-CD 4.3Å; I840-Y861 HydrophobicContact CD1-CD2 4.12Å; I840-Y861 HydrophobicContact CD1-CG 4.34Å; I840-I864 HydrophobicContact CD1-CD1 3.99Å; I840-I864 HydrophobicContact CG1-CD1 4.06Å; I840-H879 PolarHBondContact N-O 3.39Å; I840-G880 CarbonylContact O-C 3.48Å; I840-G880 VanDerWaalsContact O-CA 3.32Å; I840-G880 WeakPolarHBondContact O-CA 3.27Å; I840-I881 PolarHBondContact O-N 3.1Å
841V93.1Very high83.3Confident74 Ų7472.1 Ų72.145%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-79.7121.1178.1-175.70000109.6L830 W839 I881L830-V841 HydrophobicContact CD1-CG2 3.81Å; L830-V841 HydrophobicContact CD2-CG2 3.93Å; W839-V841 HydrophobicContact CB-CG2 4.5Å; V841-I881 HydrophobicContact CB-CG2 4.31Å; V841-I881 HydrophobicContact CG1-CG2 4.38Å; V841-I881 HydrophobicContact CG2-CG2 3.95Å
842I95.4Very high83.8Confident5 Ų569.7 Ų69.73%0.02636%0.358CS..EExtended strand (participates in β ladder)trans-111.9111.1178.8-47.4178.1000107.3I811 I840 L854 A857 I881 L882 L883I811-I842 HydrophobicContact CD1-CD1 3.69Å; I811-I842 HydrophobicContact CG1-CD1 4.41Å; I840-I842 HydrophobicContact CG2-CG1 4.26Å; I842-L854 HydrophobicContact CD1-CD2 4.21Å; I842-A857 HydrophobicContact CD1-CB 3.4Å; I842-A857 HydrophobicContact CG1-CB 3.66Å; I842-I881 PolarHBondContact N-O 2.96Å; I842-L882 HydrophobicContact CB-CB 4.16Å; I842-L882 HydrophobicContact CB-CG 4.17Å; I842-L882 HydrophobicContact CG2-CD1 4.18Å; I842-L882 HydrophobicContact CG2-CG 4.14Å; I842-L882 WeakPolarHBondContact O-CA 3.25Å; I842-L883 PolarHBondContact O-N 3.17Å
843K92.8Very high84.7Confident134 Ų13466.3 Ų66.358%0.58335%0.345SS*.  trans-129.790.3179.5-172.5-179.8179.2-1760108.7L883K843-L883 HydrophobicContact CD-CD2 4.22Å; K843-L883 HydrophobicContact CG-CD2 4.25Å
844P92.3Very high85.9Confident4 Ų464.8 Ų64.83%0.02634%0.336CS..  trans-71.5144171.65.88.9000109.8E849 I850 L883 P885P844-E849 HydrophobicContact CB-CB 4.25Å; P844-I850 HydrophobicContact CB-CG1 4.05Å; P844-I850 HydrophobicContact CG-CG1 3.91Å; P844-L883 WeakPolarHBondContact CD-O 3.46Å; P844-P885 HydrophobicContact CB-CG 4.17Å; P844-P885 HydrophobicContact CG-CG 4.24Å
845D84.5Confident87.6Confident121 Ų12157.9 Ų57.965%0.64731%0.307SS*.SBendtrans-78.9-27.3178.3-69.4-28.9000112.3E849D845-E849 WeakPolarHBondContact CB-OE2 3.3Å; D845-E849 PolarHBondContact N-OE2 3.16Å
846N84.2Confident88.9Confident52 Ų5252.7 Ų52.728%0.27829%0.285SS..SBendtrans-151.5173.9-179.559.564.3000111.5N848 E849N846-N848 PolarHBondContact O-N 2.79Å; N846-N848 WeakPolarHBondContact OD1-CA 3.32Å; N846-N848 WeakPolarHBondContact OD1-CB 3.34Å; N846-N848 PolarHBondContact OD1-N 2.83Å; N846-E849 PolarHBondContact ND2-OE1 2.9Å; N846-E849 PolarHBondContact O-N 3.21Å; N846-E849 PolarHBondContact OD1-N 3.12Å; N846-E849 VanDerWaalsContact OD1-N 3.16Å
847S83.6Confident89.9Confident57 Ų5749.3 Ų49.340%0.39926%0.262SS..G310 helixtrans-56.3-33.6179.9620000114.4E849 I850S847-E849 VanDerWaalsContact C-N 3.34Å; S847-I850 WeakPolarHBondContact O-CG1 3.44Å
848N86.6Confident90.5Very high137 Ų13747.8 Ų47.873%0.73325%0.254SS*.G310 helixtrans-79-21.6-173.9-59.2-25.1000112.3N846N846-N848 PolarHBondContact O-N 2.79Å; N846-N848 WeakPolarHBondContact OD1-CA 3.32Å; N846-N848 WeakPolarHBondContact OD1-CB 3.34Å; N846-N848 PolarHBondContact OD1-N 2.83Å
849E90.2Very high90.7Very high71 Ų7146 Ų4633%0.33225%0.246SC..G310 helixtrans-88.9-3.8-179.3-74.1175.1-152.500113.8P844 D845 N846 S847 T851 T852 S853P844-E849 HydrophobicContact CB-CB 4.25Å; D845-E849 WeakPolarHBondContact CB-OE2 3.3Å; D845-E849 PolarHBondContact N-OE2 3.16Å; N846-E849 PolarHBondContact ND2-OE1 2.9Å; N846-E849 PolarHBondContact O-N 3.21Å; N846-E849 PolarHBondContact OD1-N 3.12Å; N846-E849 VanDerWaalsContact OD1-N 3.16Å; S847-E849 VanDerWaalsContact C-N 3.34Å; E849-T851 PolarHBondContact O-N 2.9Å; E849-T852 PolarHBondContact O-N 2.62Å; E849-S853 VanDerWaalsContact O-CB 3.29Å; E849-S853 WeakPolarHBondContact O-CB 3.41Å; E849-S853 PolarHBondContact O-N 2.75Å; E849-S853 PolarHBondContact O-OG 3.23Å
850I91.6Very high90.8Very high2 Ų248.8 Ų48.81%0.0126%0.259CS..Hα-helixtrans-57.6-51.5179.8-63.3174.7000110.2P844 S847 T852 S853 L854 I888 I893P844-I850 HydrophobicContact CB-CG1 4.05Å; P844-I850 HydrophobicContact CG-CG1 3.91Å; S847-I850 WeakPolarHBondContact O-CG1 3.44Å; I850-T852 VanDerWaalsContact C-N 3.33Å; I850-T852 PolarHBondContact O-N 3.48Å; I850-S853 PolarHBondContact O-N 3.19Å; I850-L854 HydrophobicContact CG2-CD1 3.83Å; I850-L854 HydrophobicContact CG2-CG 4.33Å; I850-L854 WeakPolarHBondContact O-CB 3.4Å; I850-L854 VanDerWaalsContact O-CG 3.28Å; I850-L854 WeakPolarHBondContact O-CG 3.24Å; I850-L854 PolarHBondContact O-N 3.3Å; I850-I888 HydrophobicContact CD1-CD1 3.82Å; I850-I888 HydrophobicContact CD1-CG2 4Å; I850-I893 HydrophobicContact CG2-CG1 4.42Å
851T92Very high90.7Very high11 Ų1149.1 Ų49.17%0.06726%0.261CS..Hα-helixtrans-59-43.6-179.2-52.70000111.5E849 H855 S896 E899 L900E849-T851 PolarHBondContact O-N 2.9Å; T851-H855 PolarHBondContact O-N 3.41Å; T851-S896 WeakPolarHBondContact OG1-CB 3.39Å; T851-S896 PolarHBondContact OG1-OG 2.81Å; T851-E899 PolarHBondContact OG1-OE2 3.48Å; T851-L900 HydrophobicContact CG2-CB 4.09Å; T851-L900 HydrophobicContact CG2-CD1 4.36Å
852T92.9Very high90.4Very high81 Ų8148.6 Ų48.650%0.49725%0.251SS..Hα-helixtrans-67.1-40.8177.4-52.20000112.2E849 I850 H855 N856E849-T852 PolarHBondContact O-N 2.62Å; I850-T852 VanDerWaalsContact C-N 3.33Å; I850-T852 PolarHBondContact O-N 3.48Å; T852-H855 WeakPolarHBondContact O-CB 3.48Å; T852-H855 PolarHBondContact O-N 3.34Å; T852-N856 VanDerWaalsContact O-CG 3.31Å; T852-N856 PolarHBondContact O-N 3.5Å; T852-N856 PolarHBondContact O-ND2 3.22Å
853S94.3Very high90Very high20 Ų2053.7 Ų53.714%0.1428%0.275CS..Hα-helixtrans-66.6-39.9179.2-60.10000111.8E849 I850 N856 A857E849-S853 VanDerWaalsContact O-CB 3.29Å; E849-S853 WeakPolarHBondContact O-CB 3.41Å; E849-S853 PolarHBondContact O-N 2.75Å; E849-S853 PolarHBondContact O-OG 3.23Å; I850-S853 PolarHBondContact O-N 3.19Å; S853-N856 PolarHBondContact O-N 3.4Å; S853-A857 WeakPolarHBondContact O-CB 3.31Å; S853-A857 PolarHBondContact O-N 3.44Å
854L93.7Very high89.6Confident0 Ų047.6 Ų47.60%025%0.248CC..Hα-helixtrans-63.3-41.9172.9-71.2169.2000111.5I811 I842 I850 A857 L858 L882 I897 L900 I913I811-L854 HydrophobicContact CD1-CD2 3.86Å; I842-L854 HydrophobicContact CD1-CD2 4.21Å; I850-L854 HydrophobicContact CG2-CD1 3.83Å; I850-L854 HydrophobicContact CG2-CG 4.33Å; I850-L854 WeakPolarHBondContact O-CB 3.4Å; I850-L854 VanDerWaalsContact O-CG 3.28Å; I850-L854 WeakPolarHBondContact O-CG 3.24Å; I850-L854 PolarHBondContact O-N 3.3Å; L854-A857 WeakPolarHBondContact O-CB 3.22Å; L854-A857 PolarHBondContact O-N 3.47Å; L854-L858 PolarHBondContact O-N 3.24Å; L854-L882 HydrophobicContact CD2-CD1 3.76Å; L854-L882 HydrophobicContact CG-CD1 4.48Å; L854-I897 HydrophobicContact CD1-CG1 3.78Å; L854-L900 HydrophobicContact CB-CD2 4.07Å; L854-I913 HydrophobicContact CB-CD1 4.05Å; L854-I913 HydrophobicContact CD2-CD1 4.05Å
855H91.5Very high89.1Confident32 Ų3249.3 Ų49.315%0.14826%0.256CS..Hα-helixtrans-61.5-46.8175.3-175.670.8000112T851 T852 A857 L858 L859 L900T851-H855 PolarHBondContact O-N 3.41Å; T852-H855 WeakPolarHBondContact O-CB 3.48Å; T852-H855 PolarHBondContact O-N 3.34Å; H855-A857 VanDerWaalsContact C-N 3.28Å; H855-A857 PolarHBondContact O-N 2.94Å; H855-L858 WeakPolarHBondContact O-CB 3.5Å; H855-L858 PolarHBondContact O-N 3.18Å; H855-L858 VanDerWaalsContact O-N 3.14Å; H855-L859 PolarHBondContact O-N 3.2Å; H855-L900 HydrophobicContact CB-CD1 3.91Å
856N92.5Very high88.8Confident87 Ų8745.7 Ų45.747%0.46524%0.24SC..Hα-helixtrans-61.6-36.9176.3-68.8-20.2000112.2T852 S853 L858 L859 K860T852-N856 VanDerWaalsContact O-CG 3.31Å; T852-N856 PolarHBondContact O-N 3.5Å; T852-N856 PolarHBondContact O-ND2 3.22Å; S853-N856 PolarHBondContact O-N 3.4Å; N856-L858 VanDerWaalsContact C-N 3.35Å; N856-L859 PolarHBondContact O-N 2.85Å; N856-K860 PolarHBondContact O-N 2.77Å
857A93.1Very high88.5Confident6 Ų649.3 Ų49.35%0.0525%0.253CS..Hα-helixtrans-64.4-38.6175.100000112.3L809 I840 I842 S853 L854 H855 K860 Y861L809-A857 HydrophobicContact CD2-CB 4.16Å; I840-A857 HydrophobicContact CG2-CB 3.78Å; I842-A857 HydrophobicContact CD1-CB 3.4Å; I842-A857 HydrophobicContact CG1-CB 3.66Å; S853-A857 WeakPolarHBondContact O-CB 3.31Å; S853-A857 PolarHBondContact O-N 3.44Å; L854-A857 WeakPolarHBondContact O-CB 3.22Å; L854-A857 PolarHBondContact O-N 3.47Å; H855-A857 VanDerWaalsContact C-N 3.28Å; H855-A857 PolarHBondContact O-N 2.94Å; A857-K860 PolarHBondContact O-N 2.82Å; A857-Y861 WeakPolarHBondContact O-CB 3.42Å; A857-Y861 PolarHBondContact O-N 2.92Å
858L90.8Very high88.1Confident1 Ų148.1 Ų48.11%0.00524%0.242CC..Hα-helixtrans-64.8-42.4173.8-77.1176.5000112.4L802 L809 L854 H855 N856 Y861 Y862 L900 L912 I913L802-L858 HydrophobicContact CD2-CB 4.49Å; L809-L858 HydrophobicContact CB-CD2 4.14Å; L809-L858 HydrophobicContact CD2-CD2 4.32Å; L854-L858 PolarHBondContact O-N 3.24Å; H855-L858 WeakPolarHBondContact O-CB 3.5Å; H855-L858 PolarHBondContact O-N 3.18Å; H855-L858 VanDerWaalsContact O-N 3.14Å; N856-L858 VanDerWaalsContact C-N 3.35Å; L858-Y861 PolarHBondContact O-N 2.94Å; L858-Y862 WeakPolarHBondContact O-CB 3.18Å; L858-Y862 PolarHBondContact O-N 3.07Å; L858-L900 HydrophobicContact CD1-CD2 3.88Å; L858-L912 HydrophobicContact CD1-CB 4.13Å; L858-L912 HydrophobicContact CD1-CD1 4.04Å; L858-L912 HydrophobicContact CD2-CB 4.02Å; L858-I913 HydrophobicContact CD1-CD1 3.88Å; L858-I913 HydrophobicContact CD1-CG1 4.02Å; L858-I913 HydrophobicContact CD2-CD1 4.18Å; L858-I913 HydrophobicContact CD2-CG1 3.65Å; L858-I913 HydrophobicContact CG-CD1 3.9Å; L858-I913 HydrophobicContact CG-CG1 3.94Å
859L90Very high87.2Confident34 Ų3447.5 Ų47.518%0.17824%0.238CC..Hα-helixtrans-61.2-46.2175.8-66.1177.5000111L798 H855 N856 Y861 Y862 E863L798-L859 HydrophobicContact CD2-CD2 3.74Å; H855-L859 PolarHBondContact O-N 3.2Å; N856-L859 PolarHBondContact O-N 2.85Å; L859-Y861 VanDerWaalsContact C-N 3.33Å; L859-Y861 PolarHBondContact O-N 2.82Å; L859-Y862 WeakPolarHBondContact O-CB 3.31Å; L859-Y862 PolarHBondContact O-N 3.35Å; L859-E863 WeakPolarHBondContact O-CG 3.37Å; L859-E863 PolarHBondContact O-N 3.22Å
860K89.7Confident86Confident93 Ų9350.4 Ų50.440%0.40426%0.256SS..Hα-helixtrans-61-42.2175.4-173.3177.3177.5-170.60111.8I840 N856 A857 E863 I864I840-K860 HydrophobicContact CG1-CD 4.36Å; I840-K860 HydrophobicContact CG2-CD 4.3Å; N856-K860 PolarHBondContact O-N 2.77Å; A857-K860 PolarHBondContact O-N 2.82Å; K860-E863 PolarHBondContact O-N 2.89Å; K860-I864 HydrophobicContact CG-CD1 4.01Å; K860-I864 WeakPolarHBondContact O-CD1 3.4Å; K860-I864 VanDerWaalsContact O-CG1 3.24Å; K860-I864 WeakPolarHBondContact O-CG1 3.38Å; K860-I864 PolarHBondContact O-N 2.81Å
861Y91Very high84.5Confident10 Ų1055.2 Ų55.24%0.03928%0.282CS..Hα-helixtrans-61.7-44.5176.1175.6-115.4000111.8L805 N807 L809 I840 A857 L858 L859 I864 Q865 C878L805-Y861 HydrophobicContact CD1-CD1 3.99Å; L805-Y861 HydrophobicContact CD1-CE1 4.09Å; L805-Y861 HydrophobicContact CD2-CD1 4.14Å; L805-Y861 HydrophobicContact CD2-CE1 3.85Å; L805-Y861 HydrophobicContact CG-CE1 4.48Å; N807-Y861 WeakPolarHBondContact O-CE1 3.06Å; N807-Y861 PolarHBondContact O-OH 2.85Å; L809-Y861 HydrophobicContact CB-CD1 3.96Å; L809-Y861 HydrophobicContact CB-CD2 4.49Å; L809-Y861 HydrophobicContact CB-CE1 4.2Å; L809-Y861 HydrophobicContact CB-CG 4.1Å; L809-Y861 HydrophobicContact CD1-CD2 3.81Å; L809-Y861 HydrophobicContact CD1-CE2 4.31Å; L809-Y861 HydrophobicContact CD1-CG 4.01Å; L809-Y861 HydrophobicContact CG-CG 4.46Å; I840-Y861 HydrophobicContact CD1-CD2 4.12Å; I840-Y861 HydrophobicContact CD1-CG 4.34Å; A857-Y861 WeakPolarHBondContact O-CB 3.42Å; A857-Y861 PolarHBondContact O-N 2.92Å; L858-Y861 PolarHBondContact O-N 2.94Å; L859-Y861 VanDerWaalsContact C-N 3.33Å; L859-Y861 PolarHBondContact O-N 2.82Å; Y861-I864 PolarHBondContact O-N 2.78Å; Y861-Q865 HydrophobicContact CD1-CG 4.38Å; Y861-Q865 HydrophobicContact CD2-CG 4.12Å; Y861-Q865 HydrophobicContact CE1-CG 4.02Å; Y861-Q865 HydrophobicContact CE2-CG 3.72Å; Y861-Q865 HydrophobicContact CG-CG 4.44Å; Y861-Q865 WeakPolarHBondContact O-CG 3.38Å; Y861-Q865 PolarHBondContact O-N 2.84Å; Y861-C878 HydrophobicContact CD2-CB 4.01Å; Y861-C878 HydrophobicContact CE2-CB 3.89Å
862Y86.3Confident82.8Confident62 Ų6263.1 Ų63.124%0.24332%0.324CS..Hα-helixtrans-59.5-47.2176.1179.4-99.8000111.8S801 L802 L805 L858 L859 I864 Q865 C866S801-Y862 WeakPolarHBondContact O-CE2 3.44Å; L802-Y862 HydrophobicContact CD2-CG 4.43Å; L805-Y862 HydrophobicContact CD1-CD2 4.38Å; L805-Y862 HydrophobicContact CD2-CD2 3.93Å; L805-Y862 HydrophobicContact CG-CD2 4.05Å; L858-Y862 WeakPolarHBondContact O-CB 3.18Å; L858-Y862 PolarHBondContact O-N 3.07Å; L859-Y862 WeakPolarHBondContact O-CB 3.31Å; L859-Y862 PolarHBondContact O-N 3.35Å; Y862-I864 VanDerWaalsContact C-N 3.29Å; Y862-I864 PolarHBondContact O-N 2.87Å; Y862-Q865 PolarHBondContact O-N 3.43Å; Y862-C866 VanDerWaalsContact CZ-SG 3.59Å; Y862-C866 PolarHBondContact O-N 3.31Å; Y862-C866 PolarHBondContact O-SG 3Å; Y862-C866 VanDerWaalsContact O-SG 3.38Å
863E85.7Confident80.8Confident112 Ų11267.2 Ų67.252%0.52334%0.337SS..Hα-helixtrans-56.9-41.9175.5-72.7177-173.100112.5L859 K860 C866 K867L859-E863 WeakPolarHBondContact O-CG 3.37Å; L859-E863 PolarHBondContact O-N 3.22Å; K860-E863 PolarHBondContact O-N 2.89Å; E863-C866 PolarHBondContact O-N 2.83Å; E863-K867 WeakPolarHBondContact O-CG 3.19Å; E863-K867 PolarHBondContact O-N 2.79Å; E863-K867 VanDerWaalsContact O-N 3.14Å
864I84.3Confident79Confident6 Ų673.8 Ų73.83%0.03137%0.369CS..Hα-helixtrans-68.1-43.8178.3-64.7161.4000110.8E838 I840 K860 Y861 Y862 C866 K867 I868 C878E838-I864 HydrophobicContact CG-CD1 4.19Å; E838-I864 WeakPolarHBondContact OE1-CD1 3.44Å; E838-I864 WeakPolarHBondContact OE1-CG1 3.45Å; E838-I864 WeakPolarHBondContact OE2-CG2 3.45Å; I840-I864 HydrophobicContact CD1-CD1 3.99Å; I840-I864 HydrophobicContact CG1-CD1 4.06Å; K860-I864 HydrophobicContact CG-CD1 4.01Å; K860-I864 WeakPolarHBondContact O-CD1 3.4Å; K860-I864 VanDerWaalsContact O-CG1 3.24Å; K860-I864 WeakPolarHBondContact O-CG1 3.38Å; K860-I864 PolarHBondContact O-N 2.81Å; Y861-I864 PolarHBondContact O-N 2.78Å; Y862-I864 VanDerWaalsContact C-N 3.29Å; Y862-I864 PolarHBondContact O-N 2.87Å; I864-C866 VanDerWaalsContact C-N 3.3Å; I864-C866 PolarHBondContact O-N 3.42Å; I864-K867 WeakPolarHBondContact O-CB 3.48Å; I864-K867 PolarHBondContact O-N 3.15Å; I864-K867 VanDerWaalsContact O-N 3.11Å; I864-I868 HydrophobicContact CG2-CD1 3.66Å; I864-I868 HydrophobicContact CG2-CG1 4.23Å; I864-I868 WeakPolarHBondContact O-CG1 3.44Å; I864-I868 PolarHBondContact O-N 3.23Å; I864-C878 WeakPolarHBondContact CG2-SG 3.32Å
865Q81.9Confident77.3Confident41 Ų4182.7 Ų82.719%0.19241%0.408CS..Hα-helixtrans-61.9-37.5176.6-71.3-60.9-4600112.2L805 Y861 Y862 N869L805-Q865 HydrophobicContact CD2-CB 4.12Å; L805-Q865 HydrophobicContact CD2-CG 4.02Å; Y861-Q865 HydrophobicContact CD1-CG 4.38Å; Y861-Q865 HydrophobicContact CD2-CG 4.12Å; Y861-Q865 HydrophobicContact CE1-CG 4.02Å; Y861-Q865 HydrophobicContact CE2-CG 3.72Å; Y861-Q865 HydrophobicContact CG-CG 4.44Å; Y861-Q865 WeakPolarHBondContact O-CG 3.38Å; Y861-Q865 PolarHBondContact O-N 2.84Å; Y862-Q865 PolarHBondContact O-N 3.43Å; Q865-N869 WeakPolarHBondContact O-CB 3.11Å; Q865-N869 VanDerWaalsContact O-CG 3.29Å; Q865-N869 PolarHBondContact O-N 2.81Å; Q865-N869 PolarHBondContact O-ND2 3.03Å
866C79Confident76.1Confident44 Ų4483.8 Ų83.830%0.29742%0.417SS..Hα-helixtrans-63-40.3172.6-71.10000112.4Y862 E863 I864 N870Y862-C866 VanDerWaalsContact CZ-SG 3.59Å; Y862-C866 PolarHBondContact O-N 3.31Å; Y862-C866 PolarHBondContact O-SG 3Å; Y862-C866 VanDerWaalsContact O-SG 3.38Å; E863-C866 PolarHBondContact O-N 2.83Å; I864-C866 VanDerWaalsContact C-N 3.3Å; I864-C866 PolarHBondContact O-N 3.42Å; C866-N870 VanDerWaalsContact O-CG 3.28Å; C866-N870 PolarHBondContact O-N 2.91Å; C866-N870 PolarHBondContact O-ND2 2.73Å
867K77.7Confident75.4Confident128 Ų12884.5 Ų84.556%0.55741%0.413SS*.Hα-helixtrans-65.7-48175.8-70.5173.5-174.7173.20111.8E863 I864 N869 N870 D871E863-K867 WeakPolarHBondContact O-CG 3.19Å; E863-K867 PolarHBondContact O-N 2.79Å; E863-K867 VanDerWaalsContact O-N 3.14Å; I864-K867 WeakPolarHBondContact O-CB 3.48Å; I864-K867 PolarHBondContact O-N 3.15Å; I864-K867 VanDerWaalsContact O-N 3.11Å; K867-N869 VanDerWaalsContact C-N 3.28Å; K867-N869 PolarHBondContact O-N 2.93Å; K867-N870 PolarHBondContact O-N 3.15Å; K867-D871 PolarHBondContact O-N 3.29Å
868I74.8Confident75Confident33 Ų3384.9 Ų84.917%0.16942%0.416CS..Hα-helixtrans-61.9-35.5179.4-65.6169.9000111.6I864 N870I864-I868 HydrophobicContact CG2-CD1 3.66Å; I864-I868 HydrophobicContact CG2-CG1 4.23Å; I864-I868 WeakPolarHBondContact O-CG1 3.44Å; I864-I868 PolarHBondContact O-N 3.23Å; I868-N870 VanDerWaalsContact C-N 3.27Å; I868-N870 PolarHBondContact O-N 3.13Å
869N68.4Low75Confident123 Ų12384.9 Ų84.966%0.65842%0.415SS*.Hα-helixtrans-70.3-22.9176.2-75.6-25000113.4Q865 K867Q865-N869 WeakPolarHBondContact O-CB 3.11Å; Q865-N869 VanDerWaalsContact O-CG 3.29Å; Q865-N869 PolarHBondContact O-N 2.81Å; Q865-N869 PolarHBondContact O-ND2 3.03Å; K867-N869 VanDerWaalsContact C-N 3.28Å; K867-N869 PolarHBondContact O-N 2.93Å
870N65.7Low75.2Confident133 Ų13383.2 Ų83.271%0.71141%0.407SS*.Hα-helixtrans-87-32178.2-69.3-17.6000112.4C866 K867 I868C866-N870 VanDerWaalsContact O-CG 3.28Å; C866-N870 PolarHBondContact O-N 2.91Å; C866-N870 PolarHBondContact O-ND2 2.73Å; K867-N870 PolarHBondContact O-N 3.15Å; I868-N870 VanDerWaalsContact C-N 3.27Å; I868-N870 PolarHBondContact O-N 3.13Å
871D59.7Low75.4Confident102 Ų10278.9 Ų78.955%0.54539%0.388SS..  trans-96.8116.7-178.3-66.8-30.2000110.9K867 E873K867-D871 PolarHBondContact O-N 3.29Å; D871-E873 PolarHBondContact O-N 2.93Å
872N55.2Low75.7Confident177 Ų17778.5 Ų78.595%0.94739%0.386SS*.  trans-69.118.9175.9-83-28000114.1
873E51.2Low76.1Confident167 Ų16776.2 Ų76.278%0.7838%0.378SS*.SBendtrans-86.1171.8-179.9-72.6-165.3162.800112.8D871 K875D871-E873 PolarHBondContact O-N 2.93Å; E873-K875 PolarHBondContact O-N 3.3Å
874I56.1Low76.6Confident158 Ų15871 Ų7181%0.8135%0.354SS*.  trans-47.5120.1-176.8-61.5164.8000109.7T876I874-T876 PolarHBondContact O-N 3.24Å
875K57.9Low76.8Confident187 Ų18771.3 Ų71.381%0.81336%0.357SS*.  trans-55.895.6176.7-74-177.8177.1179.70110.5E873 R877E873-K875 PolarHBondContact O-N 3.3Å; K875-R877 PolarHBondContact O-N 2.75Å
876T66.8Low76.9Confident55 Ų5571.8 Ų71.834%0.33736%0.361SS..PPolyproline II helixtrans-64.2125.7168.742.40000108.3I874 C878I874-T876 PolarHBondContact O-N 3.24Å; T876-C878 PolarHBondContact O-N 3.28Å
877R77.9Confident77.2Confident102 Ų10271.6 Ų71.639%0.38536%0.356SS..EExtended strand (participates in β ladder)trans-76.5121.8178.7-176170.8171.5-154.3-14.1107.9S836 I837 E838 K875 M1005 E1007S836-R877 PolarHBondContact O-N 3.21Å; I837-R877 CarbonylContact C-O 3.29Å; I837-R877 VanDerWaalsContact CA-O 3.27Å; I837-R877 WeakPolarHBondContact CA-O 3.43Å; I837-R877 WeakPolarHBondContact CG2-O 3.12Å; E838-R877 PolarHBondContact N-O 3.36Å; K875-R877 PolarHBondContact O-N 2.75Å; R877-M1005 PolarHBondContact NH2-O 3.45Å; R877-E1007 IonicContact CZ-OE1 3.75Å; R877-E1007 IonicContact NE-OE1 2.77Å; R877-E1007 PolarHBondContact NE-OE1 3.12Å; R877-E1007 IonicContact NH2-OE1 2.69Å; R877-E1007 PolarHBondContact NH2-OE1 2.84Å
878C85.7Confident77.8Confident15 Ų1566.1 Ų66.110%0.10133%0.333CS..EExtended strand (participates in β ladder)trans-87.9129.7175.2-64.50000109.9E838 Y861 I864 T876E838-C878 WeakPolarHBondContact O-CA 3.4Å; Y861-C878 HydrophobicContact CD2-CB 4.01Å; Y861-C878 HydrophobicContact CE2-CB 3.89Å; I864-C878 WeakPolarHBondContact CG2-SG 3.32Å; T876-C878 PolarHBondContact O-N 3.28Å
879H90.7Very high78.6Confident0 Ų064.7 Ų64.70%033%0.327CS..EExtended strand (participates in β ladder)trans-137.9133.8178.7-159.292000111.2T812 I837 E838 W839 I840 M1005T812-H879 PolarHBondContact OG1-NE2 3.15Å; I837-H879 HydrophobicContact CG2-CB 3.82Å; E838-H879 PolarHBondContact O-N 3.09Å; W839-H879 WeakPolarHBondContact CA-O 3.16Å; W839-H879 HydrophobicContact CE3-CB 4.4Å; W839-H879 HydrophobicContact CZ3-CB 4.4Å; W839-H879 AromaticContact CZ3-CD2 3.6Å; I840-H879 PolarHBondContact N-O 3.39Å; H879-M1005 HydrophobicContact CB-CE 4.06Å
880G93.2Very high79.8Confident0 Ų059 Ų590%030%0.296CS..EExtended strand (participates in β ladder)trans-87.6141.2175.900000111.8I810 I811 T812 I840I810-G880 WeakPolarHBondContact O-CA 3.34Å; I810-G880 PolarHBondContact O-N 3.42Å; I811-G880 CarbonylContact C-O 3.54Å; I811-G880 WeakPolarHBondContact CA-O 3.46Å; T812-G880 PolarHBondContact N-O 3.37Å; I840-G880 CarbonylContact O-C 3.48Å; I840-G880 VanDerWaalsContact O-CA 3.32Å; I840-G880 WeakPolarHBondContact O-CA 3.27Å
881I94.9Very high81Confident2 Ų255.2 Ų55.21%0.0127%0.272CS..EExtended strand (participates in β ladder)trans-125.4121.2167.6-169.7160.7000109T812 I814 V826 I829 L830 W839 I840 V841 I842T812-I881 WeakPolarHBondContact O-CA 3.48Å; I814-I881 HydrophobicContact CG1-CD1 4.29Å; I814-I881 HydrophobicContact CG1-CG1 4.29Å; V826-I881 HydrophobicContact CB-CD1 4.48Å; V826-I881 HydrophobicContact CG1-CD1 4.09Å; V826-I881 HydrophobicContact CG1-CG1 4.47Å; V826-I881 HydrophobicContact CG2-CD1 4.11Å; V826-I881 HydrophobicContact CG2-CG1 4.41Å; I829-I881 HydrophobicContact CD1-CD1 4.27Å; I829-I881 HydrophobicContact CG2-CD1 4.15Å; L830-I881 HydrophobicContact CD2-CG2 4.22Å; W839-I881 HydrophobicContact CE3-CB 3.89Å; W839-I881 HydrophobicContact CE3-CG2 3.85Å; W839-I881 HydrophobicContact CZ3-CB 3.76Å; W839-I881 HydrophobicContact CZ3-CD1 4.15Å; W839-I881 HydrophobicContact CZ3-CG1 4.48Å; W839-I881 HydrophobicContact CZ3-CG2 4.2Å; I840-I881 PolarHBondContact O-N 3.1Å; V841-I881 HydrophobicContact CB-CG2 4.31Å; V841-I881 HydrophobicContact CG1-CG2 4.38Å; V841-I881 HydrophobicContact CG2-CG2 3.95Å; I842-I881 PolarHBondContact N-O 2.96Å
882L96.3Very high82.5Confident1 Ų153.1 Ų53.11%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-107.3117.8-179.8-172.2160.1000109.5I811 T812 I814 I842 L854 I893I811-L882 HydrophobicContact CG2-CB 3.66Å; T812-L882 PolarHBondContact O-N 3.39Å; I814-L882 PolarHBondContact N-O 3.13Å; I842-L882 HydrophobicContact CB-CB 4.16Å; I842-L882 HydrophobicContact CB-CG 4.17Å; I842-L882 HydrophobicContact CG2-CD1 4.18Å; I842-L882 HydrophobicContact CG2-CG 4.14Å; I842-L882 WeakPolarHBondContact O-CA 3.25Å; L854-L882 HydrophobicContact CD2-CD1 3.76Å; L854-L882 HydrophobicContact CG-CD1 4.48Å; L882-I893 HydrophobicContact CD1-CD1 4.1Å; L882-I893 HydrophobicContact CD1-CG1 4.31Å; L882-I893 HydrophobicContact CD1-CG2 4.21Å; L882-I893 HydrophobicContact CD2-CD1 3.52Å; L882-I893 HydrophobicContact CD2-CG1 4.27Å; L882-I893 HydrophobicContact CG-CD1 4.43Å
883L95.9Very high84.4Confident14 Ų1444.8 Ų44.87%0.07322%0.215CC..EExtended strand (participates in β ladder)trans-93.9110.5172.5175.160.4000108.9K822 E823 V826 I842 K843 P844K822-L883 HydrophobicContact CB-CD1 4.08Å; K822-L883 HydrophobicContact CD-CD1 3.95Å; K822-L883 HydrophobicContact CG-CD1 3.79Å; E823-L883 HydrophobicContact CG-CD2 4.24Å; V826-L883 HydrophobicContact CG2-CB 4.33Å; V826-L883 HydrophobicContact CG2-CD1 4.03Å; I842-L883 PolarHBondContact O-N 3.17Å; K843-L883 HydrophobicContact CD-CD2 4.22Å; K843-L883 HydrophobicContact CG-CD2 4.25Å; P844-L883 WeakPolarHBondContact CD-O 3.46Å
884C94.4Very high86.4Confident2 Ų237.1 Ų37.11%0.01418%0.179CC..  trans-66.4134.2-178.8-63.90000111.4I814 C815 K822 I888 I893I814-C884 PolarHBondContact O-N 3.45Å; C815-C884 HydrophobicContact CB-CB 4.04Å; K822-C884 WeakPolarHBondContact CE-O 3.48Å; C884-I888 HydrophobicContact CB-CB 4.28Å; C884-I888 VanDerWaalsContact CB-O 3.31Å; C884-I888 WeakPolarHBondContact CB-O 3.45Å; C884-I888 PolarHBondContact SG-O 3.05Å; C884-I893 VanDerWaalsContact SG-CD1 3.53Å
885P89.2Confident88.1Confident14 Ų1431.2 Ų31.29%0.09115%0.154CC..  trans-73.6157.716529-27.9000110.1P844 I887 I888P844-P885 HydrophobicContact CB-CG 4.17Å; P844-P885 HydrophobicContact CG-CG 4.24Å; P885-I887 PolarHBondContact O-N 3.07Å; P885-I888 HydrophobicContact CG-CD1 4.03Å; P885-I888 WeakPolarHBondContact O-CB 3.5Å; P885-I888 WeakPolarHBondContact O-CG1 3.43Å
886D83.3Confident89.8Confident50 Ų5023 Ų2327%0.26712%0.119SC..THydrogen-bonded Turntrans50.3-134.9173.3-56.5-34.5000114N1038D886-N1038 PolarHBondContact OD1-ND2 2.97Å
887I86.4Confident91Very high40 Ų4021.1 Ų21.121%0.20511%0.107CC..THydrogen-bonded Turntrans-110.265.5177-172.4122000110P817 P885 F936 P937 V939 L942P817-I887 HydrophobicContact CB-CD1 3.97Å; P885-I887 PolarHBondContact O-N 3.07Å; I887-F936 HydrophobicContact CD1-CD1 4.06Å; I887-F936 HydrophobicContact CD1-CE1 4.18Å; I887-P937 WeakPolarHBondContact CD1-O 3.34Å; I887-V939 HydrophobicContact CD1-CG2 4.34Å; I887-L942 HydrophobicContact CD1-CD1 4.16Å; I887-L942 HydrophobicContact CG1-CD1 4.07Å
888I89.7Confident91.6Very high13 Ų1316.3 Ų16.37%0.0679%0.09CC..  trans-116.5138.5-177.3-64176.9000110.7C815 I850 C884 P885 E892C815-I888 WeakPolarHBondContact CB-O 3.27Å; I850-I888 HydrophobicContact CD1-CD1 3.82Å; I850-I888 HydrophobicContact CD1-CG2 4Å; C884-I888 HydrophobicContact CB-CB 4.28Å; C884-I888 VanDerWaalsContact CB-O 3.31Å; C884-I888 WeakPolarHBondContact CB-O 3.45Å; C884-I888 PolarHBondContact SG-O 3.05Å; P885-I888 HydrophobicContact CG-CD1 4.03Å; P885-I888 WeakPolarHBondContact O-CB 3.5Å; P885-I888 WeakPolarHBondContact O-CG1 3.43Å; I888-E892 HydrophobicContact CG2-CB 3.66Å; I888-E892 HydrophobicContact CG2-CG 4.08Å
889G91.4Very high91.8Very high4 Ų419.3 Ų19.34%0.04110%0.102CC..  trans-115.8-166-179.600000113.5R891 E892 I893G889-R891 PolarHBondContact O-N 2.94Å; G889-E892 PolarHBondContact N-OE2 3.3Å; G889-I893 WeakPolarHBondContact O-CD1 3.41Å; G889-I893 WeakPolarHBondContact O-CG1 3.45Å; G889-I893 PolarHBondContact O-N 3.48Å
890S93.3Very high91.7Very high3 Ų319.8 Ų19.82%0.02111%0.105CC..Hα-helixtrans-66-24.5177.462.50000112.7I893 L894 W947S890-I893 PolarHBondContact O-N 3.39Å; S890-L894 WeakPolarHBondContact O-CB 3.28Å; S890-L894 WeakPolarHBondContact O-CG 3.47Å; S890-L894 PolarHBondContact O-N 2.65Å; S890-W947 PolarHBondContact OG-O 3.33Å
891R92.6Very high91.3Very high54 Ų5421.1 Ų21.120%0.20411%0.111CC..Hα-helixtrans-60.9-52.1178.9-174.9-179.161.1-171.5-12.8112.8G889 I893 L894 A895 W947 Y1023 L1026G889-R891 PolarHBondContact O-N 2.94Å; R891-I893 VanDerWaalsContact C-N 3.34Å; R891-L894 PolarHBondContact O-N 3.44Å; R891-A895 PolarHBondContact O-N 3.04Å; R891-W947 VanDerWaalsContact CA-CZ3 3.46Å; R891-W947 HydrophobicContact CB-CD2 4.35Å; R891-W947 HydrophobicContact CB-CE3 3.62Å; R891-W947 HydrophobicContact CB-CH2 4.23Å; R891-W947 HydrophobicContact CB-CZ3 3.57Å; R891-W947 HydrophobicContact CG-CE3 4.3Å; R891-W947 HydrophobicContact CG-CH2 4.01Å; R891-W947 HydrophobicContact CG-CZ3 3.84Å; R891-Y1023 HydrophobicContact CG-CE2 4.28Å; R891-L1026 PolarHBondContact NH1-O 2.79Å
892E91.3Very high90.9Very high58 Ų5827.8 Ų27.827%0.27114%0.142SC..Hα-helixtrans-70.4-35.4-179.9-59.566.9-148.100110.6I888 G889 A895 S896I888-E892 HydrophobicContact CG2-CB 3.66Å; I888-E892 HydrophobicContact CG2-CG 4.08Å; G889-E892 PolarHBondContact N-OE2 3.3Å; E892-A895 WeakPolarHBondContact O-CB 3.29Å; E892-A895 PolarHBondContact O-N 2.66Å; E892-S896 PolarHBondContact O-N 2.76Å; E892-S896 PolarHBondContact O-OG 3.37Å
893I94Very high90.3Very high2 Ų234 Ų341%0.0117%0.169CC..Hα-helixtrans-61.6-46174.5-67.9165.3000111V813 I850 L882 C884 G889 S890 R891 A895 S896 I897 I915V813-I893 HydrophobicContact CB-CD1 4.27Å; V813-I893 HydrophobicContact CG1-CD1 3.35Å; V813-I893 HydrophobicContact CG2-CD1 3.86Å; I850-I893 HydrophobicContact CG2-CG1 4.42Å; L882-I893 HydrophobicContact CD1-CD1 4.1Å; L882-I893 HydrophobicContact CD1-CG1 4.31Å; L882-I893 HydrophobicContact CD1-CG2 4.21Å; L882-I893 HydrophobicContact CD2-CD1 3.52Å; L882-I893 HydrophobicContact CD2-CG1 4.27Å; L882-I893 HydrophobicContact CG-CD1 4.43Å; C884-I893 VanDerWaalsContact SG-CD1 3.53Å; G889-I893 WeakPolarHBondContact O-CD1 3.41Å; G889-I893 WeakPolarHBondContact O-CG1 3.45Å; G889-I893 PolarHBondContact O-N 3.48Å; S890-I893 PolarHBondContact O-N 3.39Å; R891-I893 VanDerWaalsContact C-N 3.34Å; I893-A895 VanDerWaalsContact C-N 3.3Å; I893-A895 PolarHBondContact O-N 3.36Å; I893-S896 CarbonylContact O-C 3.6Å; I893-S896 WeakPolarHBondContact O-CB 3.33Å; I893-S896 PolarHBondContact O-N 3.08Å; I893-I897 HydrophobicContact CG2-CD1 3.84Å; I893-I897 HydrophobicContact CG2-CG1 4.36Å; I893-I897 VanDerWaalsContact O-CG1 3.3Å; I893-I897 WeakPolarHBondContact O-CG1 3.49Å; I893-I897 PolarHBondContact O-N 3.16Å; I893-I915 HydrophobicContact CG2-CD1 4.09Å
894L94.2Very high89.8Confident6 Ų633.9 Ų33.93%0.03117%0.168CC..Hα-helixtrans-64.2-36.9177-74.2168.1000111.7K721 S890 R891 I897 A898 I915 W947 F1010K721-L894 WeakPolarHBondContact O-CB 3.38Å; S890-L894 WeakPolarHBondContact O-CB 3.28Å; S890-L894 WeakPolarHBondContact O-CG 3.47Å; S890-L894 PolarHBondContact O-N 2.65Å; R891-L894 PolarHBondContact O-N 3.44Å; L894-I897 HydrophobicContact CD2-CD1 4.33Å; L894-I897 PolarHBondContact O-N 3.45Å; L894-A898 WeakPolarHBondContact O-CB 3.11Å; L894-A898 PolarHBondContact O-N 3.3Å; L894-I915 HydrophobicContact CD2-CD1 3.63Å; L894-I915 HydrophobicContact CD2-CG1 4.43Å; L894-I915 HydrophobicContact CG-CD1 3.81Å; L894-W947 HydrophobicContact CD1-CZ3 4.01Å; L894-F1010 HydrophobicContact CD1-CE1 4.08Å; L894-F1010 HydrophobicContact CD1-CZ 3.98Å
895A91.6Very high89Confident34 Ų3441.4 Ų41.428%0.28120%0.203SC..Hα-helixtrans-62.3-42.2171.700000112R891 E892 I893 A898 E899R891-A895 PolarHBondContact O-N 3.04Å; E892-A895 WeakPolarHBondContact O-CB 3.29Å; E892-A895 PolarHBondContact O-N 2.66Å; I893-A895 VanDerWaalsContact C-N 3.3Å; I893-A895 PolarHBondContact O-N 3.36Å; A895-A898 PolarHBondContact O-N 2.89Å; A895-E899 WeakPolarHBondContact O-CB 3.45Å; A895-E899 PolarHBondContact O-N 3.31Å
896S92.4Very high88.2Confident13 Ų1341.9 Ų41.99%0.09121%0.205CC..Hα-helixtrans-66.5-35.5173.7-67.80000113.1T851 E892 I893 E899 L900T851-S896 WeakPolarHBondContact OG1-CB 3.39Å; T851-S896 PolarHBondContact OG1-OG 2.81Å; E892-S896 PolarHBondContact O-N 2.76Å; E892-S896 PolarHBondContact O-OG 3.37Å; I893-S896 CarbonylContact O-C 3.6Å; I893-S896 WeakPolarHBondContact O-CB 3.33Å; I893-S896 PolarHBondContact O-N 3.08Å; S896-E899 PolarHBondContact O-N 2.92Å; S896-L900 VanDerWaalsContact O-CB 3.31Å; S896-L900 WeakPolarHBondContact O-CB 3.28Å; S896-L900 PolarHBondContact O-N 3.47Å
897I92Very high87.7Confident16 Ų1645.4 Ų45.48%0.08222%0.224CC..Hα-helixtrans-65.3-43.6173.6-69.3166.6000110.1L854 I893 L894 L900 H901 I913 I915L854-I897 HydrophobicContact CD1-CG1 3.78Å; I893-I897 HydrophobicContact CG2-CD1 3.84Å; I893-I897 HydrophobicContact CG2-CG1 4.36Å; I893-I897 VanDerWaalsContact O-CG1 3.3Å; I893-I897 WeakPolarHBondContact O-CG1 3.49Å; I893-I897 PolarHBondContact O-N 3.16Å; L894-I897 HydrophobicContact CD2-CD1 4.33Å; L894-I897 PolarHBondContact O-N 3.45Å; I897-L900 PolarHBondContact O-N 3.17Å; I897-H901 WeakPolarHBondContact O-CB 3.4Å; I897-H901 PolarHBondContact O-N 3.46Å; I897-I913 HydrophobicContact CD1-CB 4.39Å; I897-I913 HydrophobicContact CD1-CG2 3.77Å; I897-I913 HydrophobicContact CG1-CD1 4.46Å; I897-I913 HydrophobicContact CG1-CG2 4.29Å; I897-I913 HydrophobicContact CG2-CB 4.44Å; I897-I915 HydrophobicContact CD1-CD1 4.22Å; I897-I915 HydrophobicContact CD1-CG1 4.24Å
898A90.3Very high86.9Confident2 Ų247.6 Ų47.62%0.01723%0.233CC..Hα-helixtrans-63.4-43.2176.100000111.7L720 K721 L894 A895 L900 H901 Q902L720-A898 HydrophobicContact CB-CB 3.9Å; K721-A898 HydrophobicContact CG-CB 3.8Å; L894-A898 WeakPolarHBondContact O-CB 3.11Å; L894-A898 PolarHBondContact O-N 3.3Å; A895-A898 PolarHBondContact O-N 2.89Å; A898-L900 VanDerWaalsContact C-N 3.35Å; A898-L900 PolarHBondContact O-N 3.25Å; A898-H901 PolarHBondContact O-N 3.36Å; A898-Q902 PolarHBondContact O-N 2.9Å
899E89.7Confident85.9Confident77 Ų7750 Ų5036%0.3625%0.246SC..Hα-helixtrans-60.3-43.7174.2-170.3-161.5171.700111.7T851 A895 S896 Q902 K903T851-E899 PolarHBondContact OG1-OE2 3.48Å; A895-E899 WeakPolarHBondContact O-CB 3.45Å; A895-E899 PolarHBondContact O-N 3.31Å; S896-E899 PolarHBondContact O-N 2.92Å; E899-Q902 PolarHBondContact O-N 3.33Å; E899-K903 HydrophobicContact CG-CD 4.31Å; E899-K903 WeakPolarHBondContact O-CB 3.46Å; E899-K903 WeakPolarHBondContact O-CG 3.45Å; E899-K903 PolarHBondContact O-N 3.3Å; E899-K903 VanDerWaalsContact OE1-CE 3.24Å; E899-K903 WeakPolarHBondContact OE1-CE 3.3Å; E899-K903 IonicContact OE1-NZ 3Å; E899-K903 PolarHBondContact OE1-NZ 3.31Å
900L88.7Confident85.2Confident11 Ų1151.7 Ų51.76%0.05826%0.255CS..Hα-helixtrans-62.4-43.4176-177.762.5000111.5T851 L854 H855 L858 S896 I897 A898 Q902 K903 L904 I913T851-L900 HydrophobicContact CG2-CB 4.09Å; T851-L900 HydrophobicContact CG2-CD1 4.36Å; L854-L900 HydrophobicContact CB-CD2 4.07Å; H855-L900 HydrophobicContact CB-CD1 3.91Å; L858-L900 HydrophobicContact CD1-CD2 3.88Å; S896-L900 VanDerWaalsContact O-CB 3.31Å; S896-L900 WeakPolarHBondContact O-CB 3.28Å; S896-L900 PolarHBondContact O-N 3.47Å; I897-L900 PolarHBondContact O-N 3.17Å; A898-L900 VanDerWaalsContact C-N 3.35Å; A898-L900 PolarHBondContact O-N 3.25Å; L900-Q902 VanDerWaalsContact C-N 3.33Å; L900-Q902 PolarHBondContact O-N 2.89Å; L900-K903 PolarHBondContact O-N 2.99Å; L900-L904 HydrophobicContact CD1-CD1 4.02Å; L900-L904 HydrophobicContact CD1-CG 4.24Å; L900-L904 HydrophobicContact CG-CD1 4Å; L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 VanDerWaalsContact O-CG 3.31Å; L900-L904 WeakPolarHBondContact O-CG 3.24Å; L900-L904 PolarHBondContact O-N 3.27Å; L900-I913 HydrophobicContact CD2-CD1 4.09Å
901H86.7Confident84.5Confident27 Ų2754 Ų5413%0.12527%0.267CS..Hα-helixtrans-60.9-43.7178.2-173-83.8000111.5L720 I897 A898 L904 E905 L906 N907 T910L720-H901 HydrophobicContact CD1-CB 4.09Å; I897-H901 WeakPolarHBondContact O-CB 3.4Å; I897-H901 PolarHBondContact O-N 3.46Å; A898-H901 PolarHBondContact O-N 3.36Å; H901-L904 PolarHBondContact O-N 3.48Å; H901-E905 PolarHBondContact O-N 3.33Å; H901-L906 WeakPolarHBondContact NE2-CB 3.26Å; H901-L906 PolarHBondContact O-N 2.89Å; H901-N907 PolarHBondContact NE2-O 3.4Å; H901-T910 PolarHBondContact NE2-O 3.43Å
902Q84.8Confident84.2Confident143 Ų14352.1 Ų52.167%0.66826%0.261SS*.Hα-helixtrans-65.3-43.1175.5-169.4179.85.500112.3A898 E899 L900 L904 E905A898-Q902 PolarHBondContact O-N 2.9Å; E899-Q902 PolarHBondContact O-N 3.33Å; L900-Q902 VanDerWaalsContact C-N 3.33Å; L900-Q902 PolarHBondContact O-N 2.89Å; Q902-L904 VanDerWaalsContact C-N 3.27Å; Q902-L904 PolarHBondContact O-N 3.48Å; Q902-E905 PolarHBondContact O-N 3.41Å; Q902-E905 VanDerWaalsContact O-N 3.13Å
903K85.3Confident84.2Confident130 Ų13049.8 Ų49.857%0.56525%0.25SS*.Hα-helixtrans-62.8-32.4177.5-81.5174168.9170.50113.3E899 L900 E905E899-K903 HydrophobicContact CG-CD 4.31Å; E899-K903 WeakPolarHBondContact O-CB 3.46Å; E899-K903 WeakPolarHBondContact O-CG 3.45Å; E899-K903 PolarHBondContact O-N 3.3Å; E899-K903 VanDerWaalsContact OE1-CE 3.24Å; E899-K903 WeakPolarHBondContact OE1-CE 3.3Å; E899-K903 IonicContact OE1-NZ 3Å; E899-K903 PolarHBondContact OE1-NZ 3.31Å; L900-K903 PolarHBondContact O-N 2.99Å; K903-E905 VanDerWaalsContact C-N 3.3Å
904L83.8Confident84Confident13 Ų1351 Ų517%0.06826%0.256CS..THydrogen-bonded Turntrans-85.8-0177.9-66.4174.5000112.9N799 L802 L900 H901 Q902 L906 L912N799-L904 PolarHBondContact ND2-O 3.01Å; N799-L904 WeakPolarHBondContact OD1-CD2 3.19Å; N799-L904 PolarHBondContact OD1-O 3.4Å; L802-L904 HydrophobicContact CD1-CD1 4.37Å; L900-L904 HydrophobicContact CD1-CD1 4.02Å; L900-L904 HydrophobicContact CD1-CG 4.24Å; L900-L904 HydrophobicContact CG-CD1 4Å; L900-L904 WeakPolarHBondContact O-CB 3.41Å; L900-L904 VanDerWaalsContact O-CG 3.31Å; L900-L904 WeakPolarHBondContact O-CG 3.24Å; L900-L904 PolarHBondContact O-N 3.27Å; H901-L904 PolarHBondContact O-N 3.48Å; Q902-L904 VanDerWaalsContact C-N 3.27Å; Q902-L904 PolarHBondContact O-N 3.48Å; L904-L906 HydrophobicContact CB-CD1 3.97Å; L904-L906 HydrophobicContact CB-CD2 4.25Å; L904-L906 HydrophobicContact CB-CG 3.68Å; L904-L906 HydrophobicContact CD1-CD1 4.11Å; L904-L906 PolarHBondContact O-N 3.32Å; L904-L906 VanDerWaalsContact O-N 3.14Å; L904-L912 HydrophobicContact CD1-CD1 4.09Å
905E77.7Confident84.1Confident160 Ų16051.1 Ų51.175%0.74826%0.256SS*.THydrogen-bonded Turntrans49.138.6-178.5-61.1-175.316500112.9H901 Q902 K903H901-E905 PolarHBondContact O-N 3.33Å; Q902-E905 PolarHBondContact O-N 3.41Å; Q902-E905 VanDerWaalsContact O-N 3.13Å; K903-E905 VanDerWaalsContact C-N 3.3Å
906L73.8Confident84.1Confident24 Ų2449.5 Ų49.513%0.12624%0.243CC..  trans-70.8149.1-173.6-68.3168.2000111.6H901 L904 L912H901-L906 WeakPolarHBondContact NE2-CB 3.26Å; H901-L906 PolarHBondContact O-N 2.89Å; L904-L906 HydrophobicContact CB-CD1 3.97Å; L904-L906 HydrophobicContact CB-CD2 4.25Å; L904-L906 HydrophobicContact CB-CG 3.68Å; L904-L906 HydrophobicContact CD1-CD1 4.11Å; L904-L906 PolarHBondContact O-N 3.32Å; L904-L906 VanDerWaalsContact O-N 3.14Å; L906-L912 HydrophobicContact CD1-CD1 3.39Å; L906-L912 HydrophobicContact CD1-CG 3.82Å; L906-L912 HydrophobicContact CD2-CD1 4.12Å; L906-L912 HydrophobicContact CG-CD1 4.4Å
907N72.3Confident84.2Confident123 Ų12348.9 Ų48.966%0.65824%0.239SC*.  trans-58142.9170.1-71.4-25.6000110H901 N909 T910H901-N907 PolarHBondContact NE2-O 3.4Å; N907-N909 PolarHBondContact O-N 3.01Å; N907-T910 PolarHBondContact N-OG1 2.96Å; N907-T910 PolarHBondContact O-N 2.97Å; N907-T910 PolarHBondContact O-OG1 3.29Å
908E69.2Low84.4Confident87 Ų8748.2 Ų48.241%0.40724%0.235SC..THydrogen-bonded Turntrans-57.3-19.8176.8-71.8-175.2165.200113.2A716 W740A716-E908 HydrophobicContact CB-CG 4.45Å; W740-E908 WeakPolarHBondContact CZ2-O 3.33Å
909N69.6Low84.6Confident64 Ų6448.1 Ų48.134%0.34223%0.234SC..THydrogen-bonded Turntrans-84.8-11.6180-64-7.2000114.3Q736 I738 N907Q736-N909 PolarHBondContact O-ND2 2.9Å; I738-N909 HydrophobicContact CD1-CB 4.36Å; I738-N909 HydrophobicContact CG1-CB 4.38Å; I738-N909 WeakPolarHBondContact CG1-OD1 3.33Å; I738-N909 PolarHBondContact N-OD1 3.4Å; N907-N909 PolarHBondContact O-N 3.01Å
910T75.7Confident84.9Confident38 Ų3844.4 Ų44.423%0.23322%0.217CC..  trans-104118.8-171.525.30000111.4H901 N907H901-T910 PolarHBondContact NE2-O 3.43Å; N907-T910 PolarHBondContact N-OG1 2.96Å; N907-T910 PolarHBondContact O-N 2.97Å; N907-T910 PolarHBondContact O-OG1 3.29Å
911I79.7Confident85.1Confident53 Ų5343.9 Ų43.927%0.27221%0.214SC..  trans-107.3113.9171.5-60.1173.6000107.3P726 P808 I913P726-I911 HydrophobicContact CG-CD1 4.2Å; P808-I911 HydrophobicContact CB-CG2 4.5Å; P808-I911 WeakPolarHBondContact CB-O 3.34Å; I911-I913 VanDerWaalsContact CG2-O 3.26Å; I911-I913 WeakPolarHBondContact CG2-O 3.41Å
912L85.2Confident85.4Confident13 Ų1342.6 Ų42.67%0.06821%0.208CC..  trans-88.5-30179.1-65-176.5000113L802 L805 P808 L809 L858 L904 L906L802-L912 HydrophobicContact CB-CD1 4.3Å; L805-L912 HydrophobicContact CD1-CD2 4.46Å; P808-L912 CarbonylContact C-O 3.59Å; P808-L912 WeakPolarHBondContact CA-O 3.27Å; L809-L912 PolarHBondContact N-O 3.06Å; L858-L912 HydrophobicContact CD1-CB 4.13Å; L858-L912 HydrophobicContact CD1-CD1 4.04Å; L858-L912 HydrophobicContact CD2-CB 4.02Å; L904-L912 HydrophobicContact CD1-CD1 4.09Å; L906-L912 HydrophobicContact CD1-CD1 3.39Å; L906-L912 HydrophobicContact CD1-CG 3.82Å; L906-L912 HydrophobicContact CD2-CD1 4.12Å; L906-L912 HydrophobicContact CG-CD1 4.4Å
913I90.9Very high85.8Confident10 Ų1035.9 Ų35.95%0.05118%0.177CC..EExtended strand (participates in β ladder)trans-126.8128-177.2-59.7-179.6000108.7L809 I811 L854 L858 I897 L900 I911L809-I913 WeakPolarHBondContact O-CA 3.47Å; I811-I913 HydrophobicContact CD1-CG2 3.4Å; I811-I913 HydrophobicContact CG1-CG2 4.05Å; L854-I913 HydrophobicContact CB-CD1 4.05Å; L854-I913 HydrophobicContact CD2-CD1 4.05Å; L858-I913 HydrophobicContact CD1-CD1 3.88Å; L858-I913 HydrophobicContact CD1-CG1 4.02Å; L858-I913 HydrophobicContact CD2-CD1 4.18Å; L858-I913 HydrophobicContact CD2-CG1 3.65Å; L858-I913 HydrophobicContact CG-CD1 3.9Å; L858-I913 HydrophobicContact CG-CG1 3.94Å; I897-I913 HydrophobicContact CD1-CB 4.39Å; I897-I913 HydrophobicContact CD1-CG2 3.77Å; I897-I913 HydrophobicContact CG1-CD1 4.46Å; I897-I913 HydrophobicContact CG1-CG2 4.29Å; I897-I913 HydrophobicContact CG2-CB 4.44Å; L900-I913 HydrophobicContact CD2-CD1 4.09Å; I911-I913 VanDerWaalsContact CG2-O 3.26Å; I911-I913 WeakPolarHBondContact CG2-O 3.41Å
914K91.4Very high86Confident28 Ų2830 Ų3012%0.12215%0.152CC..EExtended strand (participates in β ladder)trans-120.5128.4173.9-177.2-175.9176.1-163.50109.1P808 L809 I810 I811 G916 E1007 N1008 S1011P808-K914 HydrophobicContact CB-CB 4.01Å; P808-K914 HydrophobicContact CG-CB 4.02Å; P808-K914 HydrophobicContact CG-CD 4.49Å; L809-K914 PolarHBondContact O-N 3.27Å; I810-K914 CarbonylContact C-O 3.55Å; I810-K914 VanDerWaalsContact CA-O 3.28Å; I810-K914 WeakPolarHBondContact CA-O 3.49Å; I811-K914 PolarHBondContact N-O 3.29Å; K914-G916 PolarHBondContact O-N 3.14Å; K914-E1007 WeakPolarHBondContact CE-O 3.42Å; K914-E1007 PolarHBondContact NZ-O 3.06Å; K914-N1008 PolarHBondContact NZ-OD1 2.94Å; K914-S1011 VanDerWaalsContact CE-OG 3.24Å; K914-S1011 WeakPolarHBondContact CE-OG 3.05Å
915I94.4Very high86.2Confident8 Ų831.1 Ų31.14%0.04116%0.155CC..EExtended strand (participates in β ladder)trans-80118.6169.6-60.1179.3000107.7I811 V813 I893 L894 I897 V918 F1010I811-I915 WeakPolarHBondContact O-CA 3.48Å; V813-I915 HydrophobicContact CG2-CD1 4.2Å; V813-I915 HydrophobicContact CG2-CG1 4.37Å; V813-I915 HydrophobicContact CG2-CG2 4.06Å; I893-I915 HydrophobicContact CG2-CD1 4.09Å; L894-I915 HydrophobicContact CD2-CD1 3.63Å; L894-I915 HydrophobicContact CD2-CG1 4.43Å; L894-I915 HydrophobicContact CG-CD1 3.81Å; I897-I915 HydrophobicContact CD1-CD1 4.22Å; I897-I915 HydrophobicContact CD1-CG1 4.24Å; I915-V918 HydrophobicContact CG2-CG2 3.57Å; I915-F1010 HydrophobicContact CB-CD1 3.63Å; I915-F1010 HydrophobicContact CB-CE1 3.96Å; I915-F1010 HydrophobicContact CB-CG 4.33Å; I915-F1010 HydrophobicContact CD1-CE1 4.18Å; I915-F1010 HydrophobicContact CG2-CB 4.16Å; I915-F1010 HydrophobicContact CG2-CD1 3.58Å; I915-F1010 HydrophobicContact CG2-CD2 4.43Å; I915-F1010 HydrophobicContact CG2-CE1 4.01Å; I915-F1010 HydrophobicContact CG2-CG 3.8Å
916G92.6Very high86.6Confident0 Ų023.5 Ų23.50%012%0.12CC..EExtended strand (participates in β ladder)trans-82-48.2177.800000111.9I811 K914 D1006 F1010I811-G916 PolarHBondContact O-N 3.14Å; K914-G916 PolarHBondContact O-N 3.14Å; G916-D1006 CarbonylContact C-O 3.49Å; G916-F1010 WeakPolarHBondContact O-CB 3.47Å; G916-F1010 PolarHBondContact O-N 3.04Å
917C94.3Very high87.2Confident0 Ų022.5 Ų22.50%011%0.114CC..EExtended strand (participates in β ladder)trans-148.5143.9-175.5179.40000110.5T812 V813 Y950T812-C917 CarbonylContact C-O 3.57Å; T812-C917 WeakPolarHBondContact CA-O 3.37Å; T812-C917 HydrophobicContact CG2-CB 4.28Å; V813-C917 PolarHBondContact N-O 3.02Å; C917-Y950 VanDerWaalsContact SG-CD2 3.54Å; C917-Y950 VanDerWaalsContact SG-CE2 3.58Å
918V95.5Very high87.8Confident1 Ų117.2 Ų17.21%0.0069%0.086CC..EExtended strand (participates in β ladder)trans-121.1126.3172.1-176.20000109V813 I915 W947 N949 Y950 F1010V813-V918 HydrophobicContact CB-CB 4.47Å; V813-V918 HydrophobicContact CB-CG1 4.24Å; V813-V918 HydrophobicContact CB-CG2 4.12Å; V813-V918 HydrophobicContact CG1-CG1 4.17Å; V813-V918 WeakPolarHBondContact O-CA 3.43Å; I915-V918 HydrophobicContact CG2-CG2 3.57Å; V918-W947 WeakPolarHBondContact CG1-O 3.33Å; V918-N949 PolarHBondContact N-OD1 3.02Å; V918-N949 WeakPolarHBondContact O-CB 3.49Å; V918-N949 PolarHBondContact O-N 3.5Å; V918-Y950 PolarHBondContact O-N 2.96Å; V918-F1010 HydrophobicContact CB-CD2 4.2Å; V918-F1010 HydrophobicContact CB-CE2 4.33Å; V918-F1010 HydrophobicContact CG2-CD2 3.44Å; V918-F1010 VanDerWaalsContact CG2-CD2 3.44Å; V918-F1010 HydrophobicContact CG2-CE2 3.46Å; V918-F1010 VanDerWaalsContact CG2-CE2 3.46Å; V918-F1010 HydrophobicContact CG2-CG 4.05Å; V918-F1010 HydrophobicContact CG2-CZ 4.1Å
919A94.9Very high88.3Confident0 Ų013.2 Ų13.20%07%0.067CC..EExtended strand (participates in β ladder)trans-125.8129.8177.100000111.1V813 I814 C815 Y950 L952 L1004V813-A919 PolarHBondContact O-N 3.46Å; I814-A919 WeakPolarHBondContact CA-O 3.04Å; I814-A919 HydrophobicContact CD1-CB 3.88Å; C815-A919 PolarHBondContact N-O 3.45Å; A919-Y950 WeakPolarHBondContact CA-O 3.49Å; A919-L952 HydrophobicContact CB-CD1 3.63Å; A919-L952 HydrophobicContact CB-CD2 4.28Å; A919-L952 HydrophobicContact CB-CG 3.87Å; A919-L1004 HydrophobicContact CB-CD2 3.46Å; A919-L1004 VanDerWaalsContact CB-CD2 3.46Å
920T95.4Very high88.7Confident0 Ų011.8 Ų11.80%06%0.06CC..EExtended strand (participates in β ladder)trans-103.6114.8-179.8-51.80000109.5C815 I922 L942 I943 T948 Y950 L951 L952C815-T920 CarbonylContact O-C 3.6Å; C815-T920 WeakPolarHBondContact O-CA 3.36Å; C815-T920 PolarHBondContact SG-OG1 3.36Å; T920-I922 HydrophobicContact CG2-CD1 4.3Å; T920-I922 HydrophobicContact CG2-CG1 4.12Å; T920-L942 HydrophobicContact CG2-CB 3.91Å; T920-L942 HydrophobicContact CG2-CD1 4.18Å; T920-I943 HydrophobicContact CG2-CG2 4.08Å; T920-T948 WeakPolarHBondContact OG1-CB 3.46Å; T920-T948 PolarHBondContact OG1-OG1 2.93Å; T920-Y950 PolarHBondContact N-O 2.88Å; T920-L951 WeakPolarHBondContact O-CD1 3.28Å; T920-L952 PolarHBondContact O-N 3.34Å
921C94.7Very high88.4Confident0 Ų013.3 Ų13.30%07%0.066CC..EExtended strand (participates in β ladder)trans-80127.9174.5-62.40000110.4C815 G816 P817 S820 K822 L952 T954C815-C921 PolarHBondContact O-N 3Å; G816-C921 VanDerWaalsContact CA-O 3.3Å; G816-C921 WeakPolarHBondContact CA-O 3.39Å; P817-C921 WeakPolarHBondContact CD-O 3.39Å; S820-C921 WeakPolarHBondContact CB-O 3.2Å; K822-C921 HydrophobicContact CB-CB 3.95Å; C921-L952 CarbonylContact C-O 3.6Å; C921-L952 WeakPolarHBondContact CA-O 2.9Å; C921-T954 HydrophobicContact CB-CG2 3.97Å
922I93.2Very high87.9Confident0 Ų011.6 Ų11.60%06%0.062CC..EExtended strand (participates in β ladder)trans-137.3127.5174.2-59.2-171000109.3T920 A927 V939 I943 L951 L952 L953 T954T920-I922 HydrophobicContact CG2-CD1 4.3Å; T920-I922 HydrophobicContact CG2-CG1 4.12Å; I922-A927 HydrophobicContact CG2-CB 4.12Å; I922-V939 HydrophobicContact CD1-CG1 3.61Å; I922-I943 HydrophobicContact CD1-CG2 3.9Å; I922-L951 HydrophobicContact CB-CD1 3.87Å; I922-L951 HydrophobicContact CD1-CD1 3.51Å; I922-L951 HydrophobicContact CG1-CD1 3.57Å; I922-L952 PolarHBondContact N-O 2.7Å; I922-L953 WeakPolarHBondContact O-CA 3.34Å; I922-T954 PolarHBondContact O-N 2.92Å; I922-T954 PolarHBondContact O-OG1 2.98Å
923D91.7Very high87.1Confident1 Ų114.6 Ų14.61%0.0057%0.072CC..  trans-87.8118.4158.9-174.5-23.9000107.3R925 M926 A927 T954D923-R925 PolarHBondContact O-N 3.23Å; D923-R925 VanDerWaalsContact OD1-CB 3.27Å; D923-R925 WeakPolarHBondContact OD1-CB 3.39Å; D923-R925 WeakPolarHBondContact OD1-CG 3.4Å; D923-R925 IonicContact OD1-CZ 2.96Å; D923-R925 PolarHBondContact OD1-N 3Å; D923-R925 IonicContact OD1-NE 2.87Å; D923-R925 PolarHBondContact OD1-NE 3.05Å; D923-R925 IonicContact OD1-NH2 2.79Å; D923-R925 IonicContact OD2-CZ 2.63Å; D923-R925 VanDerWaalsContact OD2-CZ 3.28Å; D923-R925 IonicContact OD2-NE 3.05Å; D923-R925 PolarHBondContact OD2-NE 3.4Å; D923-R925 VanDerWaalsContact OD2-NE 3.1Å; D923-R925 IonicContact OD2-NH2 3.94Å; D923-R925 PolarHBondContact OD2-NH2 3.3Å; D923-M926 HydrophobicContact CB-CG 4.26Å; D923-M926 WeakPolarHBondContact O-CA 3.29Å; D923-M926 WeakPolarHBondContact O-CB 3.38Å; D923-M926 PolarHBondContact O-N 3.37Å; D923-A927 PolarHBondContact O-N 2.84Å; D923-T954 PolarHBondContact N-OG1 3.29Å
924L89.6Confident86.5Confident8 Ų814.8 Ų14.84%0.0427%0.073CC..THydrogen-bonded Turntrans-57.4-23.7-178.4-64.1178.1000112.6M926 A927 L953 F971 I974 E975 L978L924-M926 PolarHBondContact O-N 3.14Å; L924-A927 PolarHBondContact O-N 3.23Å; L924-L953 HydrophobicContact CD1-CD2 4.47Å; L924-L953 HydrophobicContact CD2-CD2 3.85Å; L924-L953 HydrophobicContact CG-CD2 4.07Å; L924-F971 HydrophobicContact CB-CD1 3.69Å; L924-F971 HydrophobicContact CB-CE1 3.88Å; L924-F971 HydrophobicContact CD1-CB 4.46Å; L924-F971 HydrophobicContact CD1-CD1 4.39Å; L924-I974 HydrophobicContact CD2-CG2 3.99Å; L924-I974 WeakPolarHBondContact O-CD1 3.24Å; L924-E975 HydrophobicContact CD1-CG 3.83Å; L924-L978 HydrophobicContact CD2-CD1 3.65Å
925R88.8Confident86.2Confident35 Ų3514.1 Ų14.113%0.1327%0.072CC..THydrogen-bonded Turntrans-68.5-19.1174.2-62.7172.8-62.7176.23.7113.7D923 F971D923-R925 PolarHBondContact O-N 3.23Å; D923-R925 VanDerWaalsContact OD1-CB 3.27Å; D923-R925 WeakPolarHBondContact OD1-CB 3.39Å; D923-R925 WeakPolarHBondContact OD1-CG 3.4Å; D923-R925 IonicContact OD1-CZ 2.96Å; D923-R925 PolarHBondContact OD1-N 3Å; D923-R925 IonicContact OD1-NE 2.87Å; D923-R925 PolarHBondContact OD1-NE 3.05Å; D923-R925 IonicContact OD1-NH2 2.79Å; D923-R925 IonicContact OD2-CZ 2.63Å; D923-R925 VanDerWaalsContact OD2-CZ 3.28Å; D923-R925 IonicContact OD2-NE 3.05Å; D923-R925 PolarHBondContact OD2-NE 3.4Å; D923-R925 VanDerWaalsContact OD2-NE 3.1Å; D923-R925 IonicContact OD2-NH2 3.94Å; D923-R925 PolarHBondContact OD2-NH2 3.3Å; R925-F971 HydrophobicContact CG-CE1 3.75Å; R925-F971 HydrophobicContact CG-CZ 3.47Å; R925-F971 VanDerWaalsContact CG-CZ 3.47Å
926M86.8Confident85.8Confident1 Ų113.9 Ų13.91%0.0057%0.07CC..THydrogen-bonded Turntrans-97-17.6176.3-73.2-61.9119.600113.8D923 L924 I928 F936 V1094 L1096 S1097D923-M926 HydrophobicContact CB-CG 4.26Å; D923-M926 WeakPolarHBondContact O-CA 3.29Å; D923-M926 WeakPolarHBondContact O-CB 3.38Å; D923-M926 PolarHBondContact O-N 3.37Å; L924-M926 PolarHBondContact O-N 3.14Å; M926-I928 PolarHBondContact O-N 2.82Å; M926-I928 VanDerWaalsContact O-N 3.09Å; M926-F936 WeakPolarHBondContact O-CB 3.45Å; M926-V1094 HydrophobicContact CE-CB 4.25Å; M926-V1094 HydrophobicContact CE-CG1 3.18Å; M926-V1094 HydrophobicContact CG-CG1 4.08Å; M926-V1094 HydrophobicContact SD-CG1 3.29Å; M926-V1094 WeakPolarHBondContact SD-CG1 3.25Å; M926-L1096 HydrophobicContact CE-CB 3.37Å; M926-L1096 HydrophobicContact CE-CG 4.32Å; M926-L1096 HydrophobicContact SD-CB 3.83Å; M926-L1096 HydrophobicContact SD-CD1 4.12Å; M926-L1096 HydrophobicContact SD-CG 4.22Å; M926-S1097 VanDerWaalsContact CE-CA 3.48Å; M926-S1097 WeakPolarHBondContact CE-OG 3.31Å
927A85.8Confident85.4Confident2 Ų214.2 Ų14.22%0.0177%0.073CC..SBendtrans-64.1-22.7-164.800000113.6I922 D923 L924 T935 F936 I974I922-A927 HydrophobicContact CG2-CB 4.12Å; D923-A927 PolarHBondContact O-N 2.84Å; L924-A927 PolarHBondContact O-N 3.23Å; A927-T935 CarbonylContact O-C 3.4Å; A927-T935 VanDerWaalsContact O-CA 3.28Å; A927-T935 WeakPolarHBondContact O-CA 3.46Å; A927-F936 PolarHBondContact O-N 3.09Å; A927-I974 HydrophobicContact CB-CG2 3.67Å
928I84.6Confident85Confident13 Ų1314.7 Ų14.77%0.0678%0.077CC..EExtended strand (participates in β ladder)trans-126.1137.8-174.8-65.3-177.4000111M926 M934 V969 I974M926-I928 PolarHBondContact O-N 2.82Å; M926-I928 VanDerWaalsContact O-N 3.09Å; I928-M934 CarbonylContact C-O 3.57Å; I928-M934 WeakPolarHBondContact CA-O 3.46Å; I928-V969 HydrophobicContact CD1-CG1 3.88Å; I928-V969 HydrophobicContact CG2-CG2 4.41Å; I928-I974 HydrophobicContact CD1-CB 4.41Å; I928-I974 HydrophobicContact CD1-CD1 3.67Å; I928-I974 HydrophobicContact CD1-CG1 3.56Å; I928-I974 HydrophobicContact CD1-CG2 4.38Å; I928-I974 HydrophobicContact CG1-CD1 4.07Å; I928-I974 HydrophobicContact CG1-CG1 4.36Å
929M80.2Confident84.7Confident2 Ų214.6 Ų14.61%0.018%0.077CC..EExtended strand (participates in β ladder)trans-104.2150.9167.6-65.3179.752.700110.1M934 F936 P937 P1034 F1068 Y1073 L1096M929-M934 HydrophobicContact CB-CB 4.46Å; M929-M934 HydrophobicContact CB-CE 3.95Å; M929-M934 HydrophobicContact CE-CE 3.5Å; M929-M934 VanDerWaalsContact CE-CE 3.5Å; M929-M934 HydrophobicContact CG-CE 4.3Å; M929-M934 PolarHBondContact N-O 3.17Å; M929-M934 PolarHBondContact O-N 3.27Å; M929-M934 VanDerWaalsContact O-O 3.05Å; M929-M934 HydrophobicContact SD-CE 3.5Å; M929-M934 VanDerWaalsContact SD-CE 3.5Å; M929-F936 HydrophobicContact CG-CD2 4.11Å; M929-F936 HydrophobicContact SD-CD2 4.03Å; M929-P937 VanDerWaalsContact SD-CD 3.55Å; M929-P937 HydrophobicContact SD-CG 3.99Å; M929-P1034 HydrophobicContact CE-CG 4.47Å; M929-F1068 HydrophobicContact CE-CB 4.24Å; M929-F1068 HydrophobicContact CE-CD1 4.09Å; M929-F1068 HydrophobicContact CE-CD2 3.58Å; M929-F1068 HydrophobicContact CE-CE1 4.38Å; M929-F1068 HydrophobicContact CE-CE2 3.86Å; M929-F1068 HydrophobicContact CE-CG 3.7Å; M929-F1068 HydrophobicContact CE-CZ 4.28Å; M929-Y1073 HydrophobicContact CE-CE1 4.02Å; M929-Y1073 HydrophobicContact CE-CE2 4.32Å; M929-Y1073 WeakPolarHBondContact CE-OH 3.46Å; M929-Y1073 HydrophobicContact SD-CE1 4.42Å; M929-L1096 HydrophobicContact CG-CD1 4.35Å
930D76.9Confident84.3Confident34 Ų3415 Ų1518%0.1828%0.079CC..THydrogen-bonded Turntrans57.363.5168.1-164.442000115.3G932 R933 F1068D930-G932 VanDerWaalsContact C-N 3.34Å; D930-G932 PolarHBondContact O-N 2.94Å; D930-G932 VanDerWaalsContact O-N 3.15Å; D930-R933 VanDerWaalsContact O-CB 3.28Å; D930-R933 WeakPolarHBondContact O-CB 3.45Å; D930-R933 WeakPolarHBondContact O-CD 3.45Å; D930-R933 VanDerWaalsContact O-CG 3.29Å; D930-R933 WeakPolarHBondContact O-CG 3.41Å; D930-R933 PolarHBondContact O-N 3.27Å; D930-R933 VanDerWaalsContact OD2-CD 3.3Å; D930-R933 WeakPolarHBondContact OD2-CD 3.3Å; D930-R933 IonicContact OD2-NH1 3.91Å; D930-F1068 HydrophobicContact CB-CE1 3.74Å; D930-F1068 HydrophobicContact CB-CZ 3.63Å
931D70.3Confident83.8Confident70 Ų7016 Ų1637%0.3748%0.084SC..THydrogen-bonded Turntrans5143.5169.2-16730.3000115.1
932G68.4Low83.6Confident17 Ų1716.6 Ų16.618%0.1759%0.086CC..THydrogen-bonded Turntrans92.9-6.2177.100000114.8D930 V969D930-G932 VanDerWaalsContact C-N 3.34Å; D930-G932 PolarHBondContact O-N 2.94Å; D930-G932 VanDerWaalsContact O-N 3.15Å; G932-V969 VanDerWaalsContact N-CG2 3.34Å
933R69.9Low83.5Confident76 Ų7616.6 Ų16.629%0.2879%0.086SC..THydrogen-bonded Turntrans-85.4-23.9-167.3-63166.6-179176.71.9115R122 I123 D930R122-R933 WeakPolarHBondContact CG-O 3.44Å; I123-R933 PolarHBondContact N-O 3.21Å; I123-R933 CarbonylContact O-C 3.47Å; I123-R933 WeakPolarHBondContact O-CA 3.11Å; I123-R933 WeakPolarHBondContact O-CB 3.31Å; I123-R933 VanDerWaalsContact O-O 3.06Å; D930-R933 VanDerWaalsContact O-CB 3.28Å; D930-R933 WeakPolarHBondContact O-CB 3.45Å; D930-R933 WeakPolarHBondContact O-CD 3.45Å; D930-R933 VanDerWaalsContact O-CG 3.29Å; D930-R933 WeakPolarHBondContact O-CG 3.41Å; D930-R933 PolarHBondContact O-N 3.27Å; D930-R933 VanDerWaalsContact OD2-CD 3.3Å; D930-R933 WeakPolarHBondContact OD2-CD 3.3Å; D930-R933 IonicContact OD2-NH1 3.91Å
934M78.2Confident83.4Confident14 Ų1417.3 Ų17.37%0.0699%0.093CC..EExtended strand (participates in β ladder)trans-146133.5-174.7-161.3179.471.700110R122 I928 M929 P937 F1068R122-M934 HydrophobicContact CG-CB 4.26Å; R122-M934 HydrophobicContact CG-CG 4.26Å; I928-M934 CarbonylContact C-O 3.57Å; I928-M934 WeakPolarHBondContact CA-O 3.46Å; M929-M934 HydrophobicContact CB-CB 4.46Å; M929-M934 HydrophobicContact CB-CE 3.95Å; M929-M934 HydrophobicContact CE-CE 3.5Å; M929-M934 VanDerWaalsContact CE-CE 3.5Å; M929-M934 HydrophobicContact CG-CE 4.3Å; M929-M934 PolarHBondContact N-O 3.17Å; M929-M934 PolarHBondContact O-N 3.27Å; M929-M934 VanDerWaalsContact O-O 3.05Å; M929-M934 HydrophobicContact SD-CE 3.5Å; M929-M934 VanDerWaalsContact SD-CE 3.5Å; M934-P937 HydrophobicContact CE-CG 4.37Å; M934-F1068 HydrophobicContact CE-CD2 3.89Å; M934-F1068 HydrophobicContact CE-CE2 3.3Å; M934-F1068 HydrophobicContact CE-CZ 4.12Å; M934-F1068 HydrophobicContact SD-CE2 3.85Å
935T83.8Confident83.4Confident15 Ų1517.6 Ų17.69%0.0929%0.094CC..EExtended strand (participates in β ladder)trans-69.6156.4166.851.70000110.3A927 L940 L977A927-T935 CarbonylContact O-C 3.4Å; A927-T935 VanDerWaalsContact O-CA 3.28Å; A927-T935 WeakPolarHBondContact O-CA 3.46Å; T935-L940 HydrophobicContact CG2-CD1 4.41Å; T935-L940 HydrophobicContact CG2-CD2 3.98Å; T935-L940 HydrophobicContact CG2-CG 4.24Å; T935-L977 HydrophobicContact CG2-CD2 3.63Å
936F87.1Confident83.4Confident2 Ų215.9 Ų15.91%0.0099%0.087CC..PPolyproline II helixtrans-56.2135.2171.1-165-87.1000109.9P817 P818 I887 M926 A927 M929 G938 V939 L1036 Y1073 L1096P817-F936 HydrophobicContact CB-CD1 3.62Å; P817-F936 HydrophobicContact CB-CE1 3.71Å; P817-F936 HydrophobicContact CB-CG 4.41Å; P818-F936 HydrophobicContact CG-CE1 4.47Å; P818-F936 HydrophobicContact CG-CZ 4.41Å; I887-F936 HydrophobicContact CD1-CD1 4.06Å; I887-F936 HydrophobicContact CD1-CE1 4.18Å; M926-F936 WeakPolarHBondContact O-CB 3.45Å; A927-F936 PolarHBondContact O-N 3.09Å; M929-F936 HydrophobicContact CG-CD2 4.11Å; M929-F936 HydrophobicContact SD-CD2 4.03Å; F936-G938 PolarHBondContact O-N 3.19Å; F936-V939 HydrophobicContact CB-CG2 3.82Å; F936-V939 HydrophobicContact CD1-CG2 4.19Å; F936-V939 HydrophobicContact CG-CG2 4.47Å; F936-V939 WeakPolarHBondContact O-CB 3.31Å; F936-V939 WeakPolarHBondContact O-CG2 3Å; F936-V939 PolarHBondContact O-N 3.18Å; F936-V939 VanDerWaalsContact O-N 3.15Å; F936-L1036 HydrophobicContact CD1-CD1 4.24Å; F936-L1036 HydrophobicContact CE1-CD1 3.2Å; F936-L1036 HydrophobicContact CE2-CD1 4.42Å; F936-L1036 HydrophobicContact CZ-CD1 3.32Å; F936-L1036 HydrophobicContact CZ-CD2 4.43Å; F936-Y1073 HydrophobicContact CE2-CD1 4.21Å; F936-Y1073 HydrophobicContact CE2-CG 4.13Å; F936-L1096 HydrophobicContact CD2-CD1 4.41Å
937P84.3Confident83.7Confident8 Ų816.1 Ų16.15%0.0529%0.088CC..THydrogen-bonded Turntrans-67.9132-163.1-15.730.9000110.4I887 M929 M934 P1032 P1034I887-P937 WeakPolarHBondContact CD1-O 3.34Å; M929-P937 VanDerWaalsContact SD-CD 3.55Å; M929-P937 HydrophobicContact SD-CG 3.99Å; M934-P937 HydrophobicContact CE-CG 4.37Å; P937-P1032 HydrophobicContact CB-CB 3.71Å; P937-P1032 HydrophobicContact CB-CG 4.32Å; P937-P1034 HydrophobicContact CG-CG 4.27Å
938G85.1Confident84.1Confident9 Ų916.1 Ų16.19%0.0939%0.088CC..THydrogen-bonded Turntrans89.5-11.6-177.600000115.3F936 E941 L942F936-G938 PolarHBondContact O-N 3.19Å; G938-E941 WeakPolarHBondContact CA-OE2 3.46Å; G938-E941 PolarHBondContact O-N 3.23Å; G938-L942 WeakPolarHBondContact O-CG 3.34Å; G938-L942 PolarHBondContact O-N 2.87Å; G938-L942 VanDerWaalsContact O-N 3.1Å
939V88.7Confident84.5Confident0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-64.5-42.9-177.9166.80000112.1P817 I887 I922 F936 E941 L942 I943 L978P817-V939 HydrophobicContact CB-CG2 4.11Å; P817-V939 HydrophobicContact CG-CG2 3.88Å; I887-V939 HydrophobicContact CD1-CG2 4.34Å; I922-V939 HydrophobicContact CD1-CG1 3.61Å; F936-V939 HydrophobicContact CB-CG2 3.82Å; F936-V939 HydrophobicContact CD1-CG2 4.19Å; F936-V939 HydrophobicContact CG-CG2 4.47Å; F936-V939 WeakPolarHBondContact O-CB 3.31Å; F936-V939 WeakPolarHBondContact O-CG2 3Å; F936-V939 PolarHBondContact O-N 3.18Å; F936-V939 VanDerWaalsContact O-N 3.15Å; V939-E941 VanDerWaalsContact C-N 3.28Å; V939-E941 PolarHBondContact O-N 3.39Å; V939-L942 WeakPolarHBondContact O-CB 3.43Å; V939-L942 PolarHBondContact O-N 3.44Å; V939-I943 WeakPolarHBondContact O-CG1 3.28Å; V939-I943 PolarHBondContact O-N 3.27Å; V939-I943 VanDerWaalsContact O-N 3.14Å; V939-L978 HydrophobicContact CG1-CD2 4.37Å
940L86.4Confident85.2Confident8 Ų816.9 Ų16.94%0.0429%0.091CC..Hα-helixtrans-62.9-38.3-178.9-62.4-175.2000111.4L121 T935 I943 A944 V981L121-L940 HydrophobicContact CB-CD1 4.45Å; T935-L940 HydrophobicContact CG2-CD1 4.41Å; T935-L940 HydrophobicContact CG2-CD2 3.98Å; T935-L940 HydrophobicContact CG2-CG 4.24Å; L940-I943 HydrophobicContact CD2-CD1 4.43Å; L940-I943 WeakPolarHBondContact O-CG1 3.45Å; L940-I943 PolarHBondContact O-N 2.95Å; L940-A944 PolarHBondContact O-N 2.98Å; L940-V981 HydrophobicContact CD2-CG2 3.63Å
941E86.2Confident86Confident22 Ų2215.3 Ų15.310%0.1038%0.082CC..Hα-helixtrans-68.4-36.4177-63.378.4-178.500111.9P119 N120 G938 V939 I943 A944P119-E941 VanDerWaalsContact CA-OE1 3.24Å; P119-E941 WeakPolarHBondContact CA-OE1 3.31Å; P119-E941 HydrophobicContact CB-CG 4.21Å; P119-E941 VanDerWaalsContact CB-OE1 3.26Å; P119-E941 WeakPolarHBondContact CB-OE1 3.48Å; N120-E941 PolarHBondContact N-OE1 2.95Å; N120-E941 PolarHBondContact OD1-OE1 2.93Å; G938-E941 WeakPolarHBondContact CA-OE2 3.46Å; G938-E941 PolarHBondContact O-N 3.23Å; V939-E941 VanDerWaalsContact C-N 3.28Å; V939-E941 PolarHBondContact O-N 3.39Å; E941-I943 VanDerWaalsContact C-N 3.33Å; E941-A944 WeakPolarHBondContact O-CB 3.48Å
942L90.5Very high87Confident11 Ų1112 Ų126%0.0586%0.064CC..Hα-helixtrans-64.7-37.7174.3-70.7178.8000112.1C815 I887 T920 G938 V939 T948C815-L942 HydrophobicContact CB-CD2 4.41Å; I887-L942 HydrophobicContact CD1-CD1 4.16Å; I887-L942 HydrophobicContact CG1-CD1 4.07Å; T920-L942 HydrophobicContact CG2-CB 3.91Å; T920-L942 HydrophobicContact CG2-CD1 4.18Å; G938-L942 WeakPolarHBondContact O-CG 3.34Å; G938-L942 PolarHBondContact O-N 2.87Å; G938-L942 VanDerWaalsContact O-N 3.1Å; V939-L942 WeakPolarHBondContact O-CB 3.43Å; V939-L942 PolarHBondContact O-N 3.44Å; L942-T948 WeakPolarHBondContact O-CB 3.45Å
943I91Very high88.2Confident0 Ų011.9 Ų11.90%06%0.06CC..Hα-helixtrans-92.4-0.9-177.166.2160.9000114.3T920 I922 V939 L940 E941 T948 L951 L978 V981 N982 L985T920-I943 HydrophobicContact CG2-CG2 4.08Å; I922-I943 HydrophobicContact CD1-CG2 3.9Å; V939-I943 WeakPolarHBondContact O-CG1 3.28Å; V939-I943 PolarHBondContact O-N 3.27Å; V939-I943 VanDerWaalsContact O-N 3.14Å; L940-I943 HydrophobicContact CD2-CD1 4.43Å; L940-I943 WeakPolarHBondContact O-CG1 3.45Å; L940-I943 PolarHBondContact O-N 2.95Å; E941-I943 VanDerWaalsContact C-N 3.33Å; I943-T948 HydrophobicContact CB-CG2 4.31Å; I943-L951 HydrophobicContact CG2-CD1 4.38Å; I943-L978 HydrophobicContact CD1-CB 4.22Å; I943-L978 HydrophobicContact CD1-CD2 3.59Å; I943-L978 HydrophobicContact CD1-CG 4.5Å; I943-V981 HydrophobicContact CD1-CB 3.79Å; I943-V981 HydrophobicContact CD1-CG1 3.73Å; I943-V981 HydrophobicContact CD1-CG2 4.17Å; I943-V981 HydrophobicContact CG1-CB 4.4Å; I943-V981 HydrophobicContact CG1-CG1 3.77Å; I943-N982 VanDerWaalsContact O-CB 3.27Å; I943-N982 WeakPolarHBondContact O-CB 3.42Å; I943-N982 PolarHBondContact O-ND2 2.9Å; I943-L985 HydrophobicContact CB-CD2 4.18Å; I943-L985 HydrophobicContact CG2-CD2 4.48Å
944A89.7Confident89.2Confident17 Ų178.3 Ų8.314%0.145%0.046CC..SBendtrans-54.2146.2-179.200000111.6L940 E941 G946 W947L940-A944 PolarHBondContact O-N 2.98Å; E941-A944 WeakPolarHBondContact O-CB 3.48Å; A944-G946 PolarHBondContact O-N 3.31Å; A944-W947 PolarHBondContact O-N 2.94Å
945E88.3Confident89.7Confident13 Ų138 Ų86%0.0615%0.047CC..BIsolated β-bridgetrans-57129.3-174.4-166-170.5164.500112.2W947 R984 A1018E945-W947 VanDerWaalsContact C-N 3.28Å; E945-W947 PolarHBondContact O-N 3.25Å; E945-R984 WeakPolarHBondContact OE1-CD 3.41Å; E945-R984 IonicContact OE1-CZ 2.75Å; E945-R984 IonicContact OE1-NE 3.71Å; E945-R984 IonicContact OE1-NH1 3.65Å; E945-R984 PolarHBondContact OE1-NH1 2.64Å; E945-R984 IonicContact OE2-NH1 3.06Å; E945-A1018 HydrophobicContact CB-CB 4.36Å; E945-A1018 HydrophobicContact CG-CB 3.92Å
946G90Very high89.8Confident0 Ų08 Ų80%05%0.047CC..THydrogen-bonded Turntrans88.6-23.8-177.500000114.2A944 F1010 R1019A944-G946 PolarHBondContact O-N 3.31Å; G946-F1010 WeakPolarHBondContact O-CE2 3.41Å; G946-R1019 WeakPolarHBondContact O-CD 3.42Å; G946-R1019 WeakPolarHBondContact O-CG 3.46Å; G946-R1019 PolarHBondContact O-NH1 3.1Å
947W93.5Very high89.6Confident5 Ų59.4 Ų9.42%0.0196%0.057CC..THydrogen-bonded Turntrans-85.5-22-176.5-62.495.2000113.3S890 R891 L894 V918 A944 E945 R1019 S1022 Y1023 L1026S890-W947 PolarHBondContact OG-O 3.33Å; R891-W947 VanDerWaalsContact CA-CZ3 3.46Å; R891-W947 HydrophobicContact CB-CD2 4.35Å; R891-W947 HydrophobicContact CB-CE3 3.62Å; R891-W947 HydrophobicContact CB-CH2 4.23Å; R891-W947 HydrophobicContact CB-CZ3 3.57Å; R891-W947 HydrophobicContact CG-CE3 4.3Å; R891-W947 HydrophobicContact CG-CH2 4.01Å; R891-W947 HydrophobicContact CG-CZ3 3.84Å; L894-W947 HydrophobicContact CD1-CZ3 4.01Å; V918-W947 WeakPolarHBondContact CG1-O 3.33Å; A944-W947 PolarHBondContact O-N 2.94Å; E945-W947 VanDerWaalsContact C-N 3.28Å; E945-W947 PolarHBondContact O-N 3.25Å; W947-R1019 HydrophobicContact CD2-CG 3.91Å; W947-R1019 HydrophobicContact CE3-CG 4.15Å; W947-R1019 HydrophobicContact CG-CG 4.32Å; W947-R1019 HydrophobicContact CH2-CB 4.17Å; W947-R1019 HydrophobicContact CH2-CG 4.33Å; W947-R1019 HydrophobicContact CZ2-CB 3.94Å; W947-R1019 HydrophobicContact CZ2-CG 4.13Å; W947-R1019 HydrophobicContact CZ3-CG 4.34Å; W947-S1022 PolarHBondContact NE1-OG 2.88Å; W947-Y1023 AromaticContact CH2-CD2 3.63Å; W947-Y1023 HydrophobicContact CH2-CD2 3.63Å; W947-Y1023 HydrophobicContact CH2-CE2 4.41Å; W947-Y1023 HydrophobicContact CH2-CG 4.48Å; W947-Y1023 HydrophobicContact CZ2-CD2 4Å; W947-L1026 HydrophobicContact CZ2-CD1 4.17Å
948T94Very high89.4Confident2 Ų216.5 Ų16.51%0.0129%0.087CC..BIsolated β-bridgetrans-132147.3173.7-166.40000111.1T920 L942 I943 Y950 L985T920-T948 WeakPolarHBondContact OG1-CB 3.46Å; T920-T948 PolarHBondContact OG1-OG1 2.93Å; L942-T948 WeakPolarHBondContact O-CB 3.45Å; I943-T948 HydrophobicContact CB-CG2 4.31Å; T948-Y950 PolarHBondContact OG1-O 2.8Å; T948-L985 HydrophobicContact CG2-CD1 3.48Å; T948-L985 VanDerWaalsContact CG2-CD1 3.48Å
949N93Very high89Confident8 Ų821 Ų214%0.04312%0.116CC..SBendtrans-94.8-44.6174.4-61.5106.5000111.1V918 E1009 F1010 L1015V918-N949 PolarHBondContact N-OD1 3.02Å; V918-N949 WeakPolarHBondContact O-CB 3.49Å; V918-N949 PolarHBondContact O-N 3.5Å; N949-E1009 HydrophobicContact CB-CG 4.1Å; N949-E1009 PolarHBondContact ND2-O 3.06Å; N949-E1009 VanDerWaalsContact ND2-O 3.16Å; N949-F1010 WeakPolarHBondContact OD1-CD2 3.4Å; N949-L1015 WeakPolarHBondContact ND2-CD1 3.42Å
950Y93.5Very high88.5Confident24 Ų2426.3 Ų26.39%0.09415%0.145CC..EExtended strand (participates in β ladder)trans-128.9135.3-172.5-59.4-73.8000111.9C917 V918 A919 T920 T948 S986 L988 A1003 L1004 E1009C917-Y950 VanDerWaalsContact SG-CD2 3.54Å; C917-Y950 VanDerWaalsContact SG-CE2 3.58Å; V918-Y950 PolarHBondContact O-N 2.96Å; A919-Y950 WeakPolarHBondContact CA-O 3.49Å; T920-Y950 PolarHBondContact N-O 2.88Å; T948-Y950 PolarHBondContact OG1-O 2.8Å; Y950-S986 WeakPolarHBondContact CA-O 3.28Å; Y950-L988 HydrophobicContact CD1-CD1 3.58Å; Y950-L988 HydrophobicContact CD1-CG 4.02Å; Y950-L988 HydrophobicContact CE1-CD1 4.22Å; Y950-L988 HydrophobicContact CG-CD1 3.82Å; Y950-A1003 HydrophobicContact CE1-CB 4.15Å; Y950-A1003 HydrophobicContact CE2-CB 4.06Å; Y950-A1003 WeakPolarHBondContact CE2-O 3.41Å; Y950-L1004 HydrophobicContact CD2-CD2 4.36Å; Y950-E1009 HydrophobicContact CE2-CG 4.03Å
951L93.2Very high88Confident0 Ų028.6 Ų28.60%016%0.155CC..EExtended strand (participates in β ladder)trans-96109.7168177.555.6000109.3T920 I922 I943 L953 L978 L985 S986 L988T920-L951 WeakPolarHBondContact O-CD1 3.28Å; I922-L951 HydrophobicContact CB-CD1 3.87Å; I922-L951 HydrophobicContact CD1-CD1 3.51Å; I922-L951 HydrophobicContact CG1-CD1 3.57Å; I943-L951 HydrophobicContact CG2-CD1 4.38Å; L951-L953 HydrophobicContact CD2-CD2 4.24Å; L951-L953 HydrophobicContact CG-CD2 4.05Å; L951-L978 HydrophobicContact CD2-CB 4.36Å; L951-L978 HydrophobicContact CD2-CD1 4.06Å; L951-L985 HydrophobicContact CB-CD1 4.09Å; L951-L985 HydrophobicContact CB-CD2 3.7Å; L951-L985 HydrophobicContact CB-CG 3.75Å; L951-L985 HydrophobicContact CD2-CD2 3.81Å; L951-L985 HydrophobicContact CG-CD2 4.32Å; L951-S986 PolarHBondContact N-O 3.39Å; L951-L988 PolarHBondContact O-N 2.79Å
952L93.2Very high87.7Confident0 Ų031.6 Ų31.60%018%0.175CC..EExtended strand (participates in β ladder)trans-90.8108.8-180-49.8-175000109.2V825 A919 T920 C921 I922 T954 L988 I990 L1004V825-L952 HydrophobicContact CG1-CD1 4.09Å; A919-L952 HydrophobicContact CB-CD1 3.63Å; A919-L952 HydrophobicContact CB-CD2 4.28Å; A919-L952 HydrophobicContact CB-CG 3.87Å; T920-L952 PolarHBondContact O-N 3.34Å; C921-L952 CarbonylContact C-O 3.6Å; C921-L952 WeakPolarHBondContact CA-O 2.9Å; I922-L952 PolarHBondContact N-O 2.7Å; L952-T954 PolarHBondContact O-N 3.34Å; L952-L988 CarbonylContact C-O 3.47Å; L952-L988 WeakPolarHBondContact CA-O 3.1Å; L952-L988 HydrophobicContact CD2-CB 3.74Å; L952-L988 HydrophobicContact CD2-CD1 3.86Å; L952-L988 HydrophobicContact CD2-CG 4.29Å; L952-I990 HydrophobicContact CB-CD1 4.11Å; L952-I990 HydrophobicContact CD1-CD1 3.91Å; L952-I990 HydrophobicContact CD2-CD1 3.78Å; L952-I990 HydrophobicContact CG-CD1 4.13Å; L952-L1004 HydrophobicContact CD1-CD2 4.41Å
953L92Very high87.3Confident16 Ų1638.2 Ų38.28%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-82.4104.8177.2-59.6179.1000109.3I922 L924 L951 L988 F989 I990I922-L953 WeakPolarHBondContact O-CA 3.34Å; L924-L953 HydrophobicContact CD1-CD2 4.47Å; L924-L953 HydrophobicContact CD2-CD2 3.85Å; L924-L953 HydrophobicContact CG-CD2 4.07Å; L951-L953 HydrophobicContact CD2-CD2 4.24Å; L951-L953 HydrophobicContact CG-CD2 4.05Å; L953-L988 PolarHBondContact N-O 3.44Å; L953-F989 HydrophobicContact CB-CD2 4.01Å; L953-I990 CarbonylContact O-C 3.57Å; L953-I990 PolarHBondContact O-N 2.98Å
954T91.7Very high86.9Confident0 Ų039.6 Ų39.60%022%0.222CC..  trans-99.611.3-17257.90000114.5S820 R821 V825 C921 I922 D923 L952 I990S820-T954 VanDerWaalsContact O-CB 3.27Å; S820-T954 WeakPolarHBondContact O-CB 3.34Å; S820-T954 WeakPolarHBondContact O-CG2 3.3Å; S820-T954 PolarHBondContact O-OG1 3.4Å; R821-T954 PolarHBondContact NH1-O 2.89Å; V825-T954 HydrophobicContact CG2-CG2 3.8Å; C921-T954 HydrophobicContact CB-CG2 3.97Å; I922-T954 PolarHBondContact O-N 2.92Å; I922-T954 PolarHBondContact O-OG1 2.98Å; D923-T954 PolarHBondContact N-OG1 3.29Å; L952-T954 PolarHBondContact O-N 3.34Å; T954-I990 WeakPolarHBondContact CA-O 3.5Å
955G88.1Confident86.8Confident9 Ų939.3 Ų39.39%0.09322%0.218CC..SBendtrans-61179.3174.400000113.2P991 D992G955-P991 VanDerWaalsContact O-CA 3.32Å; G955-P991 WeakPolarHBondContact O-CA 3.27Å; G955-D992 PolarHBondContact O-N 3.41Å
956P86.8Confident86.6Confident13 Ų1343.7 Ų43.78%0.08424%0.237CC..  trans-67.1160.3177.631.5-32.8000110.4N960 Q961 F989P956-N960 HydrophobicContact CB-CB 4.29Å; P956-Q961 HydrophobicContact CG-CB 4.45Å; P956-F989 WeakPolarHBondContact O-CZ 3.36Å
957P82.8Confident86.2Confident33 Ų3346.4 Ų46.421%0.21425%0.251CS..  trans-55.1147.8172.722.8-32.8000110.9S959 N960 Q961 P991 D992P957-S959 PolarHBondContact O-N 2.81Å; P957-N960 HydrophobicContact CG-CB 4.24Å; P957-N960 CarbonylContact O-C 3.58Å; P957-N960 WeakPolarHBondContact O-CA 3.47Å; P957-N960 PolarHBondContact O-N 2.85Å; P957-Q961 PolarHBondContact O-N 3.3Å; P957-Q961 VanDerWaalsContact O-N 3.17Å; P957-P991 HydrophobicContact CB-CB 4.07Å; P957-D992 WeakPolarHBondContact CD-OD2 3.34Å
958K79Confident85.6Confident157 Ų15748.3 Ų48.368%0.68327%0.272SS*.G310 helixtrans-52.5-29.4-176.2-68.1-173177.3-175.10113.9N960 Q961 F989K958-N960 VanDerWaalsContact C-N 3.27Å; K958-N960 PolarHBondContact O-N 3.42Å; K958-Q961 PolarHBondContact O-N 3.06Å; K958-F989 HydrophobicContact CG-CE1 4.24Å; K958-F989 HydrophobicContact CG-CE2 4.49Å; K958-F989 HydrophobicContact CG-CZ 3.97Å
959S77.5Confident85.1Confident102 Ų10248.5 Ų48.571%0.71327%0.273SS*.G310 helixtrans-64.8-28.1175.262.20000114.1P957P957-S959 PolarHBondContact O-N 2.81Å
960N78.6Confident84.7Confident113 Ų11350 Ų5060%0.60428%0.283SS*.G310 helixtrans-109.43.7-176.7-62-2.6000111.5P956 P957 K958P956-N960 HydrophobicContact CB-CB 4.29Å; P957-N960 HydrophobicContact CG-CB 4.24Å; P957-N960 CarbonylContact O-C 3.58Å; P957-N960 WeakPolarHBondContact O-CA 3.47Å; P957-N960 PolarHBondContact O-N 2.85Å; K958-N960 VanDerWaalsContact C-N 3.27Å; K958-N960 PolarHBondContact O-N 3.42Å
961Q76.2Confident84.4Confident55 Ų5549.4 Ų49.426%0.25728%0.281SS..  trans-79.7128.9-178.4-165.3173.70.100109P956 P957 K958 F971P956-Q961 HydrophobicContact CG-CB 4.45Å; P957-Q961 PolarHBondContact O-N 3.3Å; P957-Q961 VanDerWaalsContact O-N 3.17Å; K958-Q961 PolarHBondContact O-N 3.06Å; Q961-F971 HydrophobicContact CG-CD2 3.92Å; Q961-F971 HydrophobicContact CG-CE2 3.61Å; Q961-F971 VanDerWaalsContact NE2-CD2 3.33Å
962V79Confident84Confident86 Ų8653.5 Ų53.552%0.52131%0.306SS..  trans-71.3167.3168-74.60000110A964 F971V962-A964 VanDerWaalsContact C-N 3.33Å; V962-A964 WeakPolarHBondContact CG2-O 3.32Å; V962-F971 HydrophobicContact CG2-CE2 3.88Å; V962-F971 HydrophobicContact CG2-CZ 4.04Å; V962-F971 WeakPolarHBondContact O-CD2 3.38Å; V962-F971 WeakPolarHBondContact O-CE2 3.48Å
963N81.8Confident83.3Confident150 Ų15056 Ų5680%0.80232%0.318SS*.SBendtrans-82.1-15.6178.4-68.5-15.4000113.2F971N963-F971 PolarHBondContact O-N 3.14Å; N963-F971 VanDerWaalsContact O-N 3.15Å
964A83.9Confident83Confident28 Ų2855.3 Ų55.323%0.23131%0.314CS..BIsolated β-bridgetrans-146.8163-173.200000111.7V962 V969V962-A964 VanDerWaalsContact C-N 3.33Å; V962-A964 WeakPolarHBondContact CG2-O 3.32Å; A964-V969 CarbonylContact C-O 3.53Å; A964-V969 WeakPolarHBondContact CA-O 3.47Å; A964-V969 WeakPolarHBondContact CB-O 3.28Å
965T86.7Confident82.7Confident11 Ų1159 Ų597%0.06733%0.331CS..  trans-65.1167.2170.768.70000111.2M967 G968 V969 F971 I974T965-M967 PolarHBondContact O-N 3.4Å; T965-M967 VanDerWaalsContact O-N 3.12Å; T965-M967 PolarHBondContact OG1-N 3.3Å; T965-G968 PolarHBondContact O-N 3.2Å; T965-V969 HydrophobicContact CG2-CB 4.27Å; T965-V969 PolarHBondContact N-O 2.86Å; T965-V969 PolarHBondContact OG1-N 3.32Å; T965-F971 HydrophobicContact CG2-CD1 4.34Å; T965-F971 HydrophobicContact CG2-CE1 3.87Å; T965-I974 HydrophobicContact CG2-CD1 3.55Å
966K84.1Confident82.4Confident106 Ų10664.4 Ų64.446%0.46135%0.354SS..THydrogen-bonded Turntrans-58.5-22.6172.2-80-170.4170.5-174.10113.7G968 F1060 G1098K966-G968 VanDerWaalsContact C-N 3.32Å; K966-F1060 HydrophobicContact CB-CE1 4.37Å; K966-F1060 HydrophobicContact CB-CE2 3.68Å; K966-F1060 HydrophobicContact CB-CZ 3.56Å; K966-F1060 HydrophobicContact CD-CD2 4.04Å; K966-F1060 HydrophobicContact CD-CE2 3.95Å; K966-F1060 HydrophobicContact CD-CG 4.45Å; K966-F1060 HydrophobicContact CD-CZ 4.28Å; K966-G1098 VanDerWaalsContact CE-CA 3.43Å
967M81.5Confident82.1Confident57 Ų5765 Ų6528%0.28136%0.356SS..THydrogen-bonded Turntrans-83.1-8.2176-66-65.2-170.800112.7T965 F1060 L1063 L1096T965-M967 PolarHBondContact O-N 3.4Å; T965-M967 VanDerWaalsContact O-N 3.12Å; T965-M967 PolarHBondContact OG1-N 3.3Å; M967-F1060 HydrophobicContact CE-CE2 3.72Å; M967-F1060 HydrophobicContact CE-CZ 3.72Å; M967-F1060 HydrophobicContact CG-CE2 4.45Å; M967-F1060 HydrophobicContact CG-CZ 4.21Å; M967-F1060 HydrophobicContact SD-CE1 4.49Å; M967-F1060 HydrophobicContact SD-CE2 4.13Å; M967-F1060 HydrophobicContact SD-CZ 3.6Å; M967-F1060 VanDerWaalsContact SD-CZ 3.6Å; M967-L1063 HydrophobicContact CE-CD1 3.81Å; M967-L1096 HydrophobicContact CE-CD2 4.3Å
968G81.7Confident82.2Confident45 Ų4563.6 Ų63.646%0.46435%0.347SS..SBendtrans97.44.4179.200000115.3T965 K966 P970T965-G968 PolarHBondContact O-N 3.2Å; K966-G968 VanDerWaalsContact C-N 3.32Å; G968-P970 WeakPolarHBondContact O-CD 3.25Å
969V82.4Confident82.5Confident6 Ų660.6 Ų60.64%0.03634%0.335CS..  trans-80.8123.4-179.6-173.40000111I928 G932 A964 T965 I974I928-V969 HydrophobicContact CD1-CG1 3.88Å; I928-V969 HydrophobicContact CG2-CG2 4.41Å; G932-V969 VanDerWaalsContact N-CG2 3.34Å; A964-V969 CarbonylContact C-O 3.53Å; A964-V969 WeakPolarHBondContact CA-O 3.47Å; A964-V969 WeakPolarHBondContact CB-O 3.28Å; T965-V969 HydrophobicContact CG2-CB 4.27Å; T965-V969 PolarHBondContact N-O 2.86Å; T965-V969 PolarHBondContact OG1-N 3.32Å; V969-I974 HydrophobicContact CG1-CD1 4.29Å; V969-I974 HydrophobicContact CG1-CG1 4.09Å
970P85.3Confident82.6Confident39 Ų3956.5 Ų56.525%0.25331%0.307SS..BIsolated β-bridgetrans-62.2138.7178.1-23.735.2000113G968 T972 E973G968-P970 WeakPolarHBondContact O-CD 3.25Å; P970-T972 VanDerWaalsContact C-N 3.25Å; P970-T972 PolarHBondContact O-N 2.88Å; P970-E973 HydrophobicContact CB-CG 4.27Å; P970-E973 HydrophobicContact CG-CG 4.45Å; P970-E973 WeakPolarHBondContact CG-OE1 3.3Å; P970-E973 PolarHBondContact O-N 2.96Å
971F86.6Confident82.9Confident12 Ų1251.3 Ų51.35%0.05328%0.279CS..Hα-helixtrans-64-29.6179.8-70.8-46.7000114L924 R925 Q961 V962 N963 T965 E973 I974 E975L924-F971 HydrophobicContact CB-CD1 3.69Å; L924-F971 HydrophobicContact CB-CE1 3.88Å; L924-F971 HydrophobicContact CD1-CB 4.46Å; L924-F971 HydrophobicContact CD1-CD1 4.39Å; R925-F971 HydrophobicContact CG-CE1 3.75Å; R925-F971 HydrophobicContact CG-CZ 3.47Å; R925-F971 VanDerWaalsContact CG-CZ 3.47Å; Q961-F971 HydrophobicContact CG-CD2 3.92Å; Q961-F971 HydrophobicContact CG-CE2 3.61Å; Q961-F971 VanDerWaalsContact NE2-CD2 3.33Å; V962-F971 HydrophobicContact CG2-CE2 3.88Å; V962-F971 HydrophobicContact CG2-CZ 4.04Å; V962-F971 WeakPolarHBondContact O-CD2 3.38Å; V962-F971 WeakPolarHBondContact O-CE2 3.48Å; N963-F971 PolarHBondContact O-N 3.14Å; N963-F971 VanDerWaalsContact O-N 3.15Å; T965-F971 HydrophobicContact CG2-CD1 4.34Å; T965-F971 HydrophobicContact CG2-CE1 3.87Å; F971-E973 VanDerWaalsContact C-N 3.28Å; F971-E973 PolarHBondContact O-N 2.87Å; F971-I974 HydrophobicContact CD1-CD1 4.23Å; F971-I974 PolarHBondContact O-N 3.36Å; F971-E975 WeakPolarHBondContact O-CG 3.46Å; F971-E975 PolarHBondContact O-N 2.85Å
972T84.5Confident83.4Confident85 Ų8548.8 Ų48.852%0.52127%0.267SS..Hα-helixtrans-60.7-38.917748.80000111.9P970 I974 E975 E976P970-T972 VanDerWaalsContact C-N 3.25Å; P970-T972 PolarHBondContact O-N 2.88Å; T972-I974 VanDerWaalsContact C-N 3.34Å; T972-E975 PolarHBondContact O-N 2.83Å; T972-E976 WeakPolarHBondContact O-CB 3.4Å; T972-E976 WeakPolarHBondContact O-CG 3.34Å; T972-E976 PolarHBondContact O-N 3.45Å
973E80.1Confident83.3Confident54 Ų5447.9 Ų47.925%0.25226%0.263SS..Hα-helixtrans-67.4-37.8177.3-66.6176.3-161.500111.5Y125 P970 F971 E976 L977Y125-E973 PolarHBondContact OH-OE2 2.65Å; P970-E973 HydrophobicContact CB-CG 4.27Å; P970-E973 HydrophobicContact CG-CG 4.45Å; P970-E973 WeakPolarHBondContact CG-OE1 3.3Å; P970-E973 PolarHBondContact O-N 2.96Å; F971-E973 VanDerWaalsContact C-N 3.28Å; F971-E973 PolarHBondContact O-N 2.87Å; E973-E976 PolarHBondContact O-N 3.41Å; E973-L977 WeakPolarHBondContact O-CB 3.07Å; E973-L977 PolarHBondContact O-N 3.06Å
974I84.4Confident83.2Confident1 Ų148.5 Ų48.51%0.00525%0.254CS..Hα-helixtrans-66.5-45176.4-47.7-166.4000110.3L924 A927 I928 T965 V969 F971 T972 L977 L978L924-I974 HydrophobicContact CD2-CG2 3.99Å; L924-I974 WeakPolarHBondContact O-CD1 3.24Å; A927-I974 HydrophobicContact CB-CG2 3.67Å; I928-I974 HydrophobicContact CD1-CB 4.41Å; I928-I974 HydrophobicContact CD1-CD1 3.67Å; I928-I974 HydrophobicContact CD1-CG1 3.56Å; I928-I974 HydrophobicContact CD1-CG2 4.38Å; I928-I974 HydrophobicContact CG1-CD1 4.07Å; I928-I974 HydrophobicContact CG1-CG1 4.36Å; T965-I974 HydrophobicContact CG2-CD1 3.55Å; V969-I974 HydrophobicContact CG1-CD1 4.29Å; V969-I974 HydrophobicContact CG1-CG1 4.09Å; F971-I974 HydrophobicContact CD1-CD1 4.23Å; F971-I974 PolarHBondContact O-N 3.36Å; T972-I974 VanDerWaalsContact C-N 3.34Å; I974-L977 WeakPolarHBondContact O-CB 3.27Å; I974-L977 PolarHBondContact O-N 3.47Å; I974-L978 HydrophobicContact CG2-CD1 4.14Å; I974-L978 HydrophobicContact CG2-CG 4.36Å; I974-L978 VanDerWaalsContact O-CG 3.27Å; I974-L978 WeakPolarHBondContact O-CG 3.44Å; I974-L978 PolarHBondContact O-N 3.12Å
975E86.5Confident83.2Confident77 Ų7747.7 Ų47.736%0.3625%0.246SC..Hα-helixtrans-62.2-42.7177.3-71.4179.5153.600111.5L924 F971 T972 L978 H979L924-E975 HydrophobicContact CD1-CG 3.83Å; F971-E975 WeakPolarHBondContact O-CG 3.46Å; F971-E975 PolarHBondContact O-N 2.85Å; T972-E975 PolarHBondContact O-N 2.83Å; E975-L978 PolarHBondContact O-N 2.92Å; E975-H979 VanDerWaalsContact O-CB 3.29Å; E975-H979 WeakPolarHBondContact O-CB 3.42Å; E975-H979 PolarHBondContact O-N 2.79Å
976E81.2Confident83Confident123 Ų12350 Ų5058%0.57526%0.263SS*.Hα-helixtrans-61.5-42.7174.1-75.8-174.5-173.700111.9T972 E973 H979 S980T972-E976 WeakPolarHBondContact O-CB 3.4Å; T972-E976 WeakPolarHBondContact O-CG 3.34Å; T972-E976 PolarHBondContact O-N 3.45Å; E973-E976 PolarHBondContact O-N 3.41Å; E976-H979 PolarHBondContact O-N 3.43Å; E976-S980 WeakPolarHBondContact O-CB 3.47Å; E976-S980 PolarHBondContact O-N 3.48Å
977L81.3Confident83.2Confident25 Ų2548.4 Ų48.413%0.13126%0.257CS..Hα-helixtrans-60.5-51175.2177.364.4000111.3C116 T935 E973 I974 H979 S980 V981C116-L977 HydrophobicContact CB-CD1 3.92Å; C116-L977 WeakPolarHBondContact SG-CD1 3.35Å; T935-L977 HydrophobicContact CG2-CD2 3.63Å; E973-L977 WeakPolarHBondContact O-CB 3.07Å; E973-L977 PolarHBondContact O-N 3.06Å; I974-L977 WeakPolarHBondContact O-CB 3.27Å; I974-L977 PolarHBondContact O-N 3.47Å; L977-H979 VanDerWaalsContact C-N 3.32Å; L977-H979 PolarHBondContact O-N 2.85Å; L977-S980 PolarHBondContact O-N 3.33Å; L977-S980 VanDerWaalsContact O-N 3.16Å; L977-S980 PolarHBondContact O-OG 2.86Å; L977-V981 VanDerWaalsContact O-CG2 3.3Å; L977-V981 WeakPolarHBondContact O-CG2 3.3Å; L977-V981 PolarHBondContact O-N 2.87Å
978L85.2Confident83.5Confident3 Ų347.4 Ų47.42%0.01625%0.253CS..Hα-helixtrans-63.4-38.3-179.7-62.8173.8000111.7L924 V939 I943 L951 I974 E975 V981 N982L924-L978 HydrophobicContact CD2-CD1 3.65Å; V939-L978 HydrophobicContact CG1-CD2 4.37Å; I943-L978 HydrophobicContact CD1-CB 4.22Å; I943-L978 HydrophobicContact CD1-CD2 3.59Å; I943-L978 HydrophobicContact CD1-CG 4.5Å; L951-L978 HydrophobicContact CD2-CB 4.36Å; L951-L978 HydrophobicContact CD2-CD1 4.06Å; I974-L978 HydrophobicContact CG2-CD1 4.14Å; I974-L978 HydrophobicContact CG2-CG 4.36Å; I974-L978 VanDerWaalsContact O-CG 3.27Å; I974-L978 WeakPolarHBondContact O-CG 3.44Å; I974-L978 PolarHBondContact O-N 3.12Å; E975-L978 PolarHBondContact O-N 2.92Å; L978-V981 PolarHBondContact O-N 2.81Å; L978-N982 PolarHBondContact O-N 3.43Å
979H84.4Confident83.8Confident94 Ų9448.7 Ų48.744%0.43525%0.246SC..Hα-helixtrans-67.5-35.2175.3-178.4-84.7000112.3E975 E976 L977 V981 N982 P983E975-H979 VanDerWaalsContact O-CB 3.29Å; E975-H979 WeakPolarHBondContact O-CB 3.42Å; E975-H979 PolarHBondContact O-N 2.79Å; E976-H979 PolarHBondContact O-N 3.43Å; L977-H979 VanDerWaalsContact C-N 3.32Å; L977-H979 PolarHBondContact O-N 2.85Å; H979-V981 VanDerWaalsContact C-N 3.26Å; H979-V981 PolarHBondContact O-N 3.2Å; H979-N982 CarbonylContact O-C 3.52Å; H979-N982 VanDerWaalsContact O-C 3.28Å; H979-N982 PolarHBondContact O-N 2.84Å; H979-P983 WeakPolarHBondContact O-CA 3.47Å
980S79.7Confident84.1Confident17 Ų1748.5 Ų48.512%0.11924%0.244CC..Hα-helixtrans-65.4-29.7177.374.30000112.9C116 E976 L977C116-S980 WeakPolarHBondContact CB-OG 3.33Å; E976-S980 WeakPolarHBondContact O-CB 3.47Å; E976-S980 PolarHBondContact O-N 3.48Å; L977-S980 PolarHBondContact O-N 3.33Å; L977-S980 VanDerWaalsContact O-N 3.16Å; L977-S980 PolarHBondContact O-OG 2.86Å
981V83.5Confident84.1Confident3 Ų347.6 Ų47.62%0.01824%0.238CC..Hα-helixtrans-72.2-42179175.70000111.6C116 H117 L940 I943 L977 L978 H979C116-V981 HydrophobicContact CB-CG2 4.26Å; C116-V981 WeakPolarHBondContact O-CG2 3.46Å; H117-V981 HydrophobicContact CB-CG1 4.47Å; L940-V981 HydrophobicContact CD2-CG2 3.63Å; I943-V981 HydrophobicContact CD1-CB 3.79Å; I943-V981 HydrophobicContact CD1-CG1 3.73Å; I943-V981 HydrophobicContact CD1-CG2 4.17Å; I943-V981 HydrophobicContact CG1-CB 4.4Å; I943-V981 HydrophobicContact CG1-CG1 3.77Å; L977-V981 VanDerWaalsContact O-CG2 3.3Å; L977-V981 WeakPolarHBondContact O-CG2 3.3Å; L977-V981 PolarHBondContact O-N 2.87Å; L978-V981 PolarHBondContact O-N 2.81Å; H979-V981 VanDerWaalsContact C-N 3.26Å; H979-V981 PolarHBondContact O-N 3.2Å
982N86.8Confident83.9Confident2 Ų249.4 Ų49.41%0.01125%0.248CC..  trans-141.990.4179.9-178-4.2000110.4I943 L978 H979 R984 L985I943-N982 VanDerWaalsContact O-CB 3.27Å; I943-N982 WeakPolarHBondContact O-CB 3.42Å; I943-N982 PolarHBondContact O-ND2 2.9Å; L978-N982 PolarHBondContact O-N 3.43Å; H979-N982 CarbonylContact O-C 3.52Å; H979-N982 VanDerWaalsContact O-C 3.28Å; H979-N982 PolarHBondContact O-N 2.84Å; N982-R984 PolarHBondContact O-N 3.25Å; N982-R984 VanDerWaalsContact O-N 3.12Å; N982-R984 PolarHBondContact OD1-N 3.22Å; N982-L985 HydrophobicContact CB-CB 4.05Å; N982-L985 HydrophobicContact CB-CD2 4.37Å; N982-L985 WeakPolarHBondContact O-CB 3.25Å; N982-L985 PolarHBondContact O-N 2.92Å; N982-L985 VanDerWaalsContact O-N 3.09Å; N982-L985 PolarHBondContact OD1-N 3.13Å
983P77.9Confident83.8Confident68 Ų6845.3 Ų45.344%0.44222%0.224SC..THydrogen-bonded Turntrans-66-13.1-178.9-23.734.3000114.9H979H979-P983 WeakPolarHBondContact O-CA 3.47Å
984R79.2Confident84Confident162 Ų16248.4 Ų48.461%0.61124%0.236SC*.THydrogen-bonded Turntrans-92.9-2.8177.5-67.1-176172113.18.1112.6E945 N982 S986E945-R984 WeakPolarHBondContact OE1-CD 3.41Å; E945-R984 IonicContact OE1-CZ 2.75Å; E945-R984 IonicContact OE1-NE 3.71Å; E945-R984 IonicContact OE1-NH1 3.65Å; E945-R984 PolarHBondContact OE1-NH1 2.64Å; E945-R984 IonicContact OE2-NH1 3.06Å; N982-R984 PolarHBondContact O-N 3.25Å; N982-R984 VanDerWaalsContact O-N 3.12Å; N982-R984 PolarHBondContact OD1-N 3.22Å; R984-S986 PolarHBondContact O-N 3.46Å
985L83.5Confident83.4Confident11 Ų1149 Ų496%0.05824%0.24CC..PPolyproline II helixtrans-68.1126.1-174.8-169.454.5000111.3I943 T948 L951 N982 H987I943-L985 HydrophobicContact CB-CD2 4.18Å; I943-L985 HydrophobicContact CG2-CD2 4.48Å; T948-L985 HydrophobicContact CG2-CD1 3.48Å; T948-L985 VanDerWaalsContact CG2-CD1 3.48Å; L951-L985 HydrophobicContact CB-CD1 4.09Å; L951-L985 HydrophobicContact CB-CD2 3.7Å; L951-L985 HydrophobicContact CB-CG 3.75Å; L951-L985 HydrophobicContact CD2-CD2 3.81Å; L951-L985 HydrophobicContact CG-CD2 4.32Å; N982-L985 HydrophobicContact CB-CB 4.05Å; N982-L985 HydrophobicContact CB-CD2 4.37Å; N982-L985 WeakPolarHBondContact O-CB 3.25Å; N982-L985 PolarHBondContact O-N 2.92Å; N982-L985 VanDerWaalsContact O-N 3.09Å; N982-L985 PolarHBondContact OD1-N 3.13Å; L985-H987 PolarHBondContact O-CD2 2.91Å
986S84.3Confident82.6Confident60 Ų6052.3 Ų52.342%0.4226%0.255SS..EExtended strand (participates in β ladder)trans-88120.8174.8-69.30000110.3Y950 L951 R984Y950-S986 WeakPolarHBondContact CA-O 3.28Å; L951-S986 PolarHBondContact N-O 3.39Å; R984-S986 PolarHBondContact O-N 3.46Å
987H86.8Confident82.3Confident73 Ų7350.9 Ų50.934%0.33825%0.251SS..EExtended strand (participates in β ladder)trans-89125.8179.9-62.3-108.1000110.6L985L985-H987 PolarHBondContact O-CD2 2.91Å
988L88.2Confident82.1Confident36 Ų3652.6 Ų52.619%0.18827%0.265CS..EExtended strand (participates in β ladder)trans-119.2121.8174.5-60.6177.4000109.2Y950 L951 L952 L953 T1000 A1003Y950-L988 HydrophobicContact CD1-CD1 3.58Å; Y950-L988 HydrophobicContact CD1-CG 4.02Å; Y950-L988 HydrophobicContact CE1-CD1 4.22Å; Y950-L988 HydrophobicContact CG-CD1 3.82Å; L951-L988 PolarHBondContact O-N 2.79Å; L952-L988 CarbonylContact C-O 3.47Å; L952-L988 WeakPolarHBondContact CA-O 3.1Å; L952-L988 HydrophobicContact CD2-CB 3.74Å; L952-L988 HydrophobicContact CD2-CD1 3.86Å; L952-L988 HydrophobicContact CD2-CG 4.29Å; L953-L988 PolarHBondContact N-O 3.44Å; L988-T1000 HydrophobicContact CD1-CG2 4.2Å; L988-A1003 HydrophobicContact CD1-CB 4.49Å
989F87.3Confident81.9Confident72 Ų7258.9 Ų58.932%0.31630%0.295SS..EExtended strand (participates in β ladder)trans-84.9117.7177.8-172.8-110.1000110.2L953 P956 K958 P991L953-F989 HydrophobicContact CB-CD2 4.01Å; P956-F989 WeakPolarHBondContact O-CZ 3.36Å; K958-F989 HydrophobicContact CG-CE1 4.24Å; K958-F989 HydrophobicContact CG-CE2 4.49Å; K958-F989 HydrophobicContact CG-CZ 3.97Å; F989-P991 HydrophobicContact CD1-CG 4.28Å; F989-P991 HydrophobicContact CE1-CB 3.75Å; F989-P991 HydrophobicContact CE1-CG 3.87Å; F989-P991 HydrophobicContact CZ-CB 3.96Å
990I88.5Confident81.8Confident2 Ų255 Ų551%0.0128%0.277CS..  trans-127.979.3-178.8-55.8-174.3000108L952 L953 T954 D992 G993 K994 T995 T1000L952-I990 HydrophobicContact CB-CD1 4.11Å; L952-I990 HydrophobicContact CD1-CD1 3.91Å; L952-I990 HydrophobicContact CD2-CD1 3.78Å; L952-I990 HydrophobicContact CG-CD1 4.13Å; L953-I990 CarbonylContact O-C 3.57Å; L953-I990 PolarHBondContact O-N 2.98Å; T954-I990 WeakPolarHBondContact CA-O 3.5Å; I990-D992 PolarHBondContact O-N 3.2Å; I990-G993 VanDerWaalsContact CG2-C 3.4Å; I990-G993 PolarHBondContact O-N 2.83Å; I990-K994 VanDerWaalsContact CG2-C 3.45Å; I990-K994 WeakPolarHBondContact CG2-O 2.82Å; I990-T995 HydrophobicContact CD1-CG2 4.21Å; I990-T995 HydrophobicContact CG2-CG2 4.1Å; I990-T1000 HydrophobicContact CD1-CG2 3.69Å; I990-T1000 HydrophobicContact CG1-CG2 4.15Å
991P86Confident81.9Confident19 Ų1954.7 Ų54.712%0.12327%0.274CS..G310 helixtrans-60.2132.4-171.525.6-33.2000111G955 P957 F989 G993 K994G955-P991 VanDerWaalsContact O-CA 3.32Å; G955-P991 WeakPolarHBondContact O-CA 3.27Å; P957-P991 HydrophobicContact CB-CB 4.07Å; F989-P991 HydrophobicContact CD1-CG 4.28Å; F989-P991 HydrophobicContact CE1-CB 3.75Å; F989-P991 HydrophobicContact CE1-CG 3.87Å; F989-P991 HydrophobicContact CZ-CB 3.96Å; P991-G993 PolarHBondContact O-N 3.45Å; P991-K994 WeakPolarHBondContact O-CB 2.98Å; P991-K994 PolarHBondContact O-N 2.96Å
992D83.3Confident82Confident50 Ų5060.3 Ų60.327%0.26730%0.3SS..G310 helixtrans52.426-177.5-59-48.3000114.5R821 G955 P957 I990 K994R821-D992 IonicContact CZ-OD1 3.56Å; R821-D992 IonicContact NH1-OD1 2.64Å; R821-D992 PolarHBondContact NH1-OD1 3.32Å; R821-D992 IonicContact NH2-OD1 2.65Å; R821-D992 PolarHBondContact NH2-OD1 3.27Å; G955-D992 PolarHBondContact O-N 3.41Å; P957-D992 WeakPolarHBondContact CD-OD2 3.34Å; I990-D992 PolarHBondContact O-N 3.2Å; D992-K994 PolarHBondContact O-N 3.37Å
993G82.3Confident82Confident0 Ų061 Ų610%031%0.307CS..G310 helixtrans72.17.3-176.800000114.4N828 I990 P991N828-G993 VanDerWaalsContact ND2-C 3.32Å; N828-G993 PolarHBondContact ND2-O 3.5Å; I990-G993 VanDerWaalsContact CG2-C 3.4Å; I990-G993 PolarHBondContact O-N 2.83Å; P991-G993 PolarHBondContact O-N 3.45Å
994K83.3Confident82.5Confident119 Ų11958 Ų5852%0.51729%0.286SS..  trans-87.1122.1179.1-63.9178.5-178.41740111.6N828 I990 P991 D992 E996N828-K994 WeakPolarHBondContact ND2-CA 2.93Å; I990-K994 VanDerWaalsContact CG2-C 3.45Å; I990-K994 WeakPolarHBondContact CG2-O 2.82Å; P991-K994 WeakPolarHBondContact O-CB 2.98Å; P991-K994 PolarHBondContact O-N 2.96Å; D992-K994 PolarHBondContact O-N 3.37Å; K994-E996 PolarHBondContact O-N 3.44Å
995T72.7Confident82.8Confident13 Ų1351.3 Ų51.38%0.0826%0.263CS..  trans-86.1105.5173.652.20000109.9I829 I990 L1001I829-T995 HydrophobicContact CG1-CG2 4.38Å; I990-T995 HydrophobicContact CD1-CG2 4.21Å; I990-T995 HydrophobicContact CG2-CG2 4.1Å; T995-L1001 HydrophobicContact CG2-CD2 4.33Å
996E69.7Low83.1Confident147 Ų14753.6 Ų53.669%0.68728%0.275SS*.  trans-90.7-24.2175.2-64.3-177.3172.400112.6K994K994-E996 PolarHBondContact O-N 3.44Å
997N73.5Confident83.2Confident92 Ų9253.4 Ų53.449%0.49227%0.268SS..  trans-104.4130.5-168.3-61.9-21.2000112.5H999 T1000N997-H999 VanDerWaalsContact C-N 3.31Å; N997-H999 PolarHBondContact O-N 3.04Å; N997-T1000 PolarHBondContact O-N 3.12Å
998S77.3Confident83.4Confident61 Ų6153.2 Ų53.243%0.42727%0.269SS..Hα-helixtrans-60-38.4173.854.90000112.7T1000 L1001 E1002S998-T1000 VanDerWaalsContact C-N 3.29Å; S998-T1000 PolarHBondContact O-N 3.29Å; S998-L1001 WeakPolarHBondContact O-CB 3.33Å; S998-L1001 PolarHBondContact O-N 3.1Å; S998-E1002 PolarHBondContact O-N 3.16Å
999H82.3Confident83.4Confident136 Ų13654.2 Ų54.263%0.6327%0.273SS*.Hα-helixtrans-61.7-33.7179.1-64.6-51.3000113.7N997 L1001 E1002 A1003N997-H999 VanDerWaalsContact C-N 3.31Å; N997-H999 PolarHBondContact O-N 3.04Å; H999-L1001 VanDerWaalsContact C-N 3.28Å; H999-L1001 PolarHBondContact O-N 3.14Å; H999-E1002 IonicContact CE1-OE2 2.66Å; H999-E1002 IonicContact ND1-OE2 3.1Å; H999-E1002 PolarHBondContact ND1-OE2 3.16Å; H999-E1002 PolarHBondContact O-N 3.21Å; H999-A1003 WeakPolarHBondContact O-CB 3.29Å; H999-A1003 PolarHBondContact O-N 3.21Å
1000T82.4Confident83.7Confident11 Ų1151 Ų517%0.06726%0.258CS..Hα-helixtrans-63.6-39.2175.3-58.30000110.6L988 I990 N997 S998 L1004L988-T1000 HydrophobicContact CD1-CG2 4.2Å; I990-T1000 HydrophobicContact CD1-CG2 3.69Å; I990-T1000 HydrophobicContact CG1-CG2 4.15Å; N997-T1000 PolarHBondContact O-N 3.12Å; S998-T1000 VanDerWaalsContact C-N 3.29Å; S998-T1000 PolarHBondContact O-N 3.29Å; T1000-L1004 HydrophobicContact CG2-CD1 4.39Å; T1000-L1004 VanDerWaalsContact O-CG 3.3Å; T1000-L1004 WeakPolarHBondContact O-CG 3.43Å; T1000-L1004 PolarHBondContact O-N 3.4Å; T1000-L1004 VanDerWaalsContact O-N 3.12Å
1001L82.2Confident83.8Confident11 Ų1151 Ų516%0.05826%0.259CS..Hα-helixtrans-73.5-40.4178.3-67.1166.7000111.6I829 F832 T995 S998 H999 A1003 L1004 M1005I829-L1001 HydrophobicContact CB-CD2 4.34Å; I829-L1001 HydrophobicContact CG1-CD2 3.84Å; I829-L1001 HydrophobicContact CG2-CD2 4.21Å; F832-L1001 HydrophobicContact CB-CD1 4.05Å; F832-L1001 HydrophobicContact CD1-CD1 2.94Å; F832-L1001 HydrophobicContact CD1-CG 4.43Å; F832-L1001 HydrophobicContact CD2-CD1 4.19Å; F832-L1001 HydrophobicContact CE1-CD1 3.19Å; F832-L1001 HydrophobicContact CE2-CD1 4.38Å; F832-L1001 HydrophobicContact CG-CD1 3.48Å; F832-L1001 VanDerWaalsContact CG-CD1 3.48Å; F832-L1001 HydrophobicContact CZ-CD1 3.93Å; T995-L1001 HydrophobicContact CG2-CD2 4.33Å; S998-L1001 WeakPolarHBondContact O-CB 3.33Å; S998-L1001 PolarHBondContact O-N 3.1Å; H999-L1001 VanDerWaalsContact C-N 3.28Å; H999-L1001 PolarHBondContact O-N 3.14Å; L1001-A1003 VanDerWaalsContact C-N 3.26Å; L1001-A1003 PolarHBondContact O-N 3.22Å; L1001-L1004 PolarHBondContact O-N 3.37Å; L1001-L1004 VanDerWaalsContact O-N 3.17Å; L1001-M1005 VanDerWaalsContact O-CB 3.28Å; L1001-M1005 WeakPolarHBondContact O-CB 3.39Å; L1001-M1005 WeakPolarHBondContact O-CG 3.31Å; L1001-M1005 PolarHBondContact O-N 3.2Å
1002E85Confident83.9Confident121 Ų12152.5 Ų52.557%0.56527%0.266SS*.Hα-helixtrans-55.2-44.5172.5-70.8169.9174.700111.2S998 H999 M1005 D1006S998-E1002 PolarHBondContact O-N 3.16Å; H999-E1002 IonicContact CE1-OE2 2.66Å; H999-E1002 IonicContact ND1-OE2 3.1Å; H999-E1002 PolarHBondContact ND1-OE2 3.16Å; H999-E1002 PolarHBondContact O-N 3.21Å; E1002-M1005 PolarHBondContact O-N 2.9Å; E1002-D1006 PolarHBondContact O-N 3Å
1003A86.4Confident84.2Confident17 Ų1751.2 Ų51.214%0.1426%0.26CS..Hα-helixtrans-63.1-40.2176.600000113.4Y950 L988 H999 L1001 M1005Y950-A1003 HydrophobicContact CE1-CB 4.15Å; Y950-A1003 HydrophobicContact CE2-CB 4.06Å; Y950-A1003 WeakPolarHBondContact CE2-O 3.41Å; L988-A1003 HydrophobicContact CD1-CB 4.49Å; H999-A1003 WeakPolarHBondContact O-CB 3.29Å; H999-A1003 PolarHBondContact O-N 3.21Å; L1001-A1003 VanDerWaalsContact C-N 3.26Å; L1001-A1003 PolarHBondContact O-N 3.22Å; A1003-M1005 VanDerWaalsContact C-N 3.31Å
1004L87.4Confident84.4Confident4 Ų454.1 Ų54.12%0.02128%0.275CS..Hα-helixtrans-75.1-19.4177.2-67176.6000113.6T812 I829 A919 Y950 L952 T1000 L1001T812-L1004 WeakPolarHBondContact CG2-O 3.33Å; T812-L1004 PolarHBondContact OG1-O 2.81Å; I829-L1004 HydrophobicContact CD1-CD1 3.77Å; I829-L1004 HydrophobicContact CG1-CD1 4.44Å; A919-L1004 HydrophobicContact CB-CD2 3.46Å; A919-L1004 VanDerWaalsContact CB-CD2 3.46Å; Y950-L1004 HydrophobicContact CD2-CD2 4.36Å; L952-L1004 HydrophobicContact CD1-CD2 4.41Å; T1000-L1004 HydrophobicContact CG2-CD1 4.39Å; T1000-L1004 VanDerWaalsContact O-CG 3.3Å; T1000-L1004 WeakPolarHBondContact O-CG 3.43Å; T1000-L1004 PolarHBondContact O-N 3.4Å; T1000-L1004 VanDerWaalsContact O-N 3.12Å; L1001-L1004 PolarHBondContact O-N 3.37Å; L1001-L1004 VanDerWaalsContact O-N 3.17Å
1005M86.9Confident84.7Confident22 Ų2249.2 Ų49.211%0.10826%0.255CS..THydrogen-bonded Turntrans-96.11178.9-68.6-58.2-53.700113.6I837 W839 R877 H879 L1001 E1002 A1003 E1007I837-M1005 HydrophobicContact CD1-CE 3.68Å; W839-M1005 HydrophobicContact CH2-CE 4.2Å; W839-M1005 HydrophobicContact CH2-SD 3.33Å; W839-M1005 WeakPolarHBondContact CH2-SD 3.24Å; W839-M1005 HydrophobicContact CZ2-SD 3.89Å; W839-M1005 HydrophobicContact CZ3-SD 4.22Å; R877-M1005 PolarHBondContact NH2-O 3.45Å; H879-M1005 HydrophobicContact CB-CE 4.06Å; L1001-M1005 VanDerWaalsContact O-CB 3.28Å; L1001-M1005 WeakPolarHBondContact O-CB 3.39Å; L1001-M1005 WeakPolarHBondContact O-CG 3.31Å; L1001-M1005 PolarHBondContact O-N 3.2Å; E1002-M1005 PolarHBondContact O-N 2.9Å; A1003-M1005 VanDerWaalsContact C-N 3.31Å; M1005-E1007 PolarHBondContact O-N 3.2Å
1006D88.6Confident85.7Confident59 Ų5948.6 Ų48.632%0.31625%0.251SS..  trans-65.3127.8174.7-163.8-46.9000110.2G916 E1002 N1008 E1009G916-D1006 CarbonylContact C-O 3.49Å; E1002-D1006 PolarHBondContact O-N 3Å; D1006-N1008 WeakPolarHBondContact OD1-CA 3.36Å; D1006-N1008 PolarHBondContact OD1-N 3.19Å; D1006-E1009 HydrophobicContact CB-CB 3.88Å; D1006-E1009 PolarHBondContact OD1-N 2.82Å
1007E87.8Confident86.8Confident57 Ų5743.6 Ų43.627%0.26623%0.226SC..SBendtrans-87.4-11.5-176.4-58.2-171.1158.300113.7I810 R877 K914 M1005I810-E1007 HydrophobicContact CD1-CB 3.98Å; I810-E1007 HydrophobicContact CD1-CG 3.72Å; I810-E1007 VanDerWaalsContact CD1-OE1 3.25Å; I810-E1007 WeakPolarHBondContact CD1-OE1 3.44Å; I810-E1007 WeakPolarHBondContact CD1-OE2 3.45Å; I810-E1007 HydrophobicContact CG2-CB 4.28Å; I810-E1007 HydrophobicContact CG2-CG 4.16Å; R877-E1007 IonicContact CZ-OE1 3.75Å; R877-E1007 IonicContact NE-OE1 2.77Å; R877-E1007 PolarHBondContact NE-OE1 3.12Å; R877-E1007 IonicContact NH2-OE1 2.69Å; R877-E1007 PolarHBondContact NH2-OE1 2.84Å; K914-E1007 WeakPolarHBondContact CE-O 3.42Å; K914-E1007 PolarHBondContact NZ-O 3.06Å; M1005-E1007 PolarHBondContact O-N 3.2Å
1008N89.3Confident87.6Confident69 Ų6939.3 Ų39.337%0.36920%0.203SC..SBendtrans-124.3-10.3-170.5-65.4-49.9000113.1K914 D1006 F1010 S1011 N1012K914-N1008 PolarHBondContact NZ-OD1 2.94Å; D1006-N1008 WeakPolarHBondContact OD1-CA 3.36Å; D1006-N1008 PolarHBondContact OD1-N 3.19Å; N1008-F1010 VanDerWaalsContact C-N 3.34Å; N1008-F1010 PolarHBondContact O-N 2.88Å; N1008-S1011 CarbonylContact O-C 3.16Å; N1008-S1011 VanDerWaalsContact O-CA 3.24Å; N1008-S1011 WeakPolarHBondContact O-CA 3.29Å; N1008-S1011 WeakPolarHBondContact O-CB 3.49Å; N1008-S1011 PolarHBondContact O-N 2.9Å; N1008-N1012 PolarHBondContact O-N 2.85Å; N1008-N1012 VanDerWaalsContact O-N 3.09Å
1009E89.7Confident88.3Confident57 Ų5736.4 Ų36.427%0.26618%0.183SC..SBendtrans-57.2-44.4-178.9-166.953.1-134.800112.2N949 Y950 D1006 S1011 N1012N949-E1009 HydrophobicContact CB-CG 4.1Å; N949-E1009 PolarHBondContact ND2-O 3.06Å; N949-E1009 VanDerWaalsContact ND2-O 3.16Å; Y950-E1009 HydrophobicContact CE2-CG 4.03Å; D1006-E1009 HydrophobicContact CB-CB 3.88Å; D1006-E1009 PolarHBondContact OD1-N 2.82Å; E1009-S1011 VanDerWaalsContact C-N 3.27Å; E1009-S1011 PolarHBondContact O-N 2.7Å; E1009-N1012 VanDerWaalsContact O-CB 3.29Å; E1009-N1012 WeakPolarHBondContact O-CB 3.31Å; E1009-N1012 PolarHBondContact O-N 3.1Å
1010F93.1Very high88.9Confident3 Ų330 Ų301%0.01315%0.153CC..THydrogen-bonded Turntrans-69.5-26.5173.5-168.6-110.2000112.9L894 I915 G916 V918 G946 N949 N1008 N1012 R1019L894-F1010 HydrophobicContact CD1-CE1 4.08Å; L894-F1010 HydrophobicContact CD1-CZ 3.98Å; I915-F1010 HydrophobicContact CB-CD1 3.63Å; I915-F1010 HydrophobicContact CB-CE1 3.96Å; I915-F1010 HydrophobicContact CB-CG 4.33Å; I915-F1010 HydrophobicContact CD1-CE1 4.18Å; I915-F1010 HydrophobicContact CG2-CB 4.16Å; I915-F1010 HydrophobicContact CG2-CD1 3.58Å; I915-F1010 HydrophobicContact CG2-CD2 4.43Å; I915-F1010 HydrophobicContact CG2-CE1 4.01Å; I915-F1010 HydrophobicContact CG2-CG 3.8Å; G916-F1010 WeakPolarHBondContact O-CB 3.47Å; G916-F1010 PolarHBondContact O-N 3.04Å; V918-F1010 HydrophobicContact CB-CD2 4.2Å; V918-F1010 HydrophobicContact CB-CE2 4.33Å; V918-F1010 HydrophobicContact CG2-CD2 3.44Å; V918-F1010 VanDerWaalsContact CG2-CD2 3.44Å; V918-F1010 HydrophobicContact CG2-CE2 3.46Å; V918-F1010 VanDerWaalsContact CG2-CE2 3.46Å; V918-F1010 HydrophobicContact CG2-CG 4.05Å; V918-F1010 HydrophobicContact CG2-CZ 4.1Å; G946-F1010 WeakPolarHBondContact O-CE2 3.41Å; N949-F1010 WeakPolarHBondContact OD1-CD2 3.4Å; N1008-F1010 VanDerWaalsContact C-N 3.34Å; N1008-F1010 PolarHBondContact O-N 2.88Å; F1010-N1012 PolarHBondContact O-N 3.14Å; F1010-R1019 VanDerWaalsContact CE2-NH1 3.27Å; F1010-R1019 VanDerWaalsContact CZ-CZ 3.42Å; F1010-R1019 PolarHBondContact O-NH1 3.32Å; F1010-R1019 VanDerWaalsContact O-NH1 3.08Å; F1010-R1019 PolarHBondContact O-NH2 2.93Å
1011S90.7Very high89.3Confident4 Ų429.4 Ų29.43%0.02815%0.15CC..THydrogen-bonded Turntrans-83.212.9173.6-58.40000112.9K914 N1008 E1009 P1013 Q1016K914-S1011 VanDerWaalsContact CE-OG 3.24Å; K914-S1011 WeakPolarHBondContact CE-OG 3.05Å; N1008-S1011 CarbonylContact O-C 3.16Å; N1008-S1011 VanDerWaalsContact O-CA 3.24Å; N1008-S1011 WeakPolarHBondContact O-CA 3.29Å; N1008-S1011 WeakPolarHBondContact O-CB 3.49Å; N1008-S1011 PolarHBondContact O-N 2.9Å; E1009-S1011 VanDerWaalsContact C-N 3.27Å; E1009-S1011 PolarHBondContact O-N 2.7Å; S1011-P1013 WeakPolarHBondContact O-CD 3.22Å; S1011-Q1016 PolarHBondContact O-NE2 3.48Å
1012N88.7Confident89.8Confident49 Ų4929 Ų2926%0.26215%0.148SC..  trans-58.8126171.4-176.1-33.8000109.9N1008 E1009 F1010 I1014 L1015 Q1016N1008-N1012 PolarHBondContact O-N 2.85Å; N1008-N1012 VanDerWaalsContact O-N 3.09Å; E1009-N1012 VanDerWaalsContact O-CB 3.29Å; E1009-N1012 WeakPolarHBondContact O-CB 3.31Å; E1009-N1012 PolarHBondContact O-N 3.1Å; F1010-N1012 PolarHBondContact O-N 3.14Å; N1012-I1014 PolarHBondContact O-N 2.84Å; N1012-I1014 VanDerWaalsContact O-N 3.14Å; N1012-I1014 WeakPolarHBondContact OD1-CB 3.16Å; N1012-I1014 PolarHBondContact OD1-N 2.88Å; N1012-L1015 HydrophobicContact CB-CB 4.24Å; N1012-L1015 HydrophobicContact CB-CD1 4.03Å; N1012-L1015 HydrophobicContact CB-CG 4.01Å; N1012-L1015 PolarHBondContact O-N 3.21Å; N1012-Q1016 WeakPolarHBondContact O-CG 3.45Å; N1012-Q1016 PolarHBondContact O-N 3.35Å
1013P88.5Confident90.1Very high24 Ų2423.7 Ų23.716%0.15612%0.123CC..Hα-helixtrans-54.5-33.2-179-27.734.7000114.1Y729 Y756 S1011 R1017Y729-P1013 HydrophobicContact CE1-CB 4.28Å; Y756-P1013 HydrophobicContact CD2-CG 4.32Å; S1011-P1013 WeakPolarHBondContact O-CD 3.22Å; P1013-R1017 WeakPolarHBondContact O-CB 3.19Å; P1013-R1017 PolarHBondContact O-N 3.47Å
1014I87Confident90.3Very high61 Ų6122.9 Ų22.931%0.31312%0.116SC..Hα-helixtrans-67.1-43.8178.3-60.3173.7000110.4I753 N1012 R1017 A1018I753-I1014 HydrophobicContact CD1-CD1 4.33Å; I753-I1014 HydrophobicContact CD1-CG1 4.1Å; N1012-I1014 PolarHBondContact O-N 2.84Å; N1012-I1014 VanDerWaalsContact O-N 3.14Å; N1012-I1014 WeakPolarHBondContact OD1-CB 3.16Å; N1012-I1014 PolarHBondContact OD1-N 2.88Å; I1014-R1017 PolarHBondContact O-N 2.86Å; I1014-A1018 PolarHBondContact O-N 3.13Å
1015L90.6Very high90.4Very high16 Ų1623 Ų238%0.08412%0.117CC..Hα-helixtrans-72.2-37.6179.1-60.9-177.7000111.6N949 N1012 R1017 A1018 R1019N949-L1015 WeakPolarHBondContact ND2-CD1 3.42Å; N1012-L1015 HydrophobicContact CB-CB 4.24Å; N1012-L1015 HydrophobicContact CB-CD1 4.03Å; N1012-L1015 HydrophobicContact CB-CG 4.01Å; N1012-L1015 PolarHBondContact O-N 3.21Å; L1015-R1017 VanDerWaalsContact C-N 3.33Å; L1015-R1017 PolarHBondContact O-N 3.41Å; L1015-A1018 PolarHBondContact O-N 2.87Å; L1015-R1019 WeakPolarHBondContact O-CG 2.93Å; L1015-R1019 PolarHBondContact O-N 2.81Å
1016Q92.5Very high90.3Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-56.9-46.3171.4-76.8-172.768.400111.5I724 S728 Y729 S1011 N1012 R1019 L1020I724-Q1016 HydrophobicContact CD1-CB 3.7Å; I724-Q1016 HydrophobicContact CD1-CG 4.17Å; I724-Q1016 WeakPolarHBondContact CD1-O 3.32Å; S728-Q1016 PolarHBondContact OG-NE2 3.22Å; Y729-Q1016 WeakPolarHBondContact OH-CB 3.48Å; Y729-Q1016 PolarHBondContact OH-OE1 2.84Å; S1011-Q1016 PolarHBondContact O-NE2 3.48Å; N1012-Q1016 WeakPolarHBondContact O-CG 3.45Å; N1012-Q1016 PolarHBondContact O-N 3.35Å; Q1016-R1019 PolarHBondContact O-N 2.86Å; Q1016-L1020 WeakPolarHBondContact O-CB 3.31Å; Q1016-L1020 PolarHBondContact O-N 3.06Å
1017R92.2Very high90Very high41 Ų4121.2 Ų21.216%0.15511%0.11CC..Hα-helixtrans-60.8-46.6174.9-176.2-178.6-177.3-771.5112E700 A747 A748 P1013 I1014 L1015 R1019 L1020 L1021E700-R1017 IonicContact OE1-NH1 3.17Å; E700-R1017 IonicContact OE1-NH2 2.87Å; E700-R1017 IonicContact OE2-CZ 2.79Å; E700-R1017 IonicContact OE2-NH1 3.88Å; E700-R1017 IonicContact OE2-NH2 2.76Å; E700-R1017 PolarHBondContact OE2-NH2 3.37Å; A747-R1017 WeakPolarHBondContact O-CB 3.34Å; A747-R1017 VanDerWaalsContact O-CG 3.29Å; A747-R1017 WeakPolarHBondContact O-CG 3.33Å; A748-R1017 PolarHBondContact O-NE 3.49Å; A748-R1017 PolarHBondContact O-NH2 2.86Å; P1013-R1017 WeakPolarHBondContact O-CB 3.19Å; P1013-R1017 PolarHBondContact O-N 3.47Å; I1014-R1017 PolarHBondContact O-N 2.86Å; L1015-R1017 VanDerWaalsContact C-N 3.33Å; L1015-R1017 PolarHBondContact O-N 3.41Å; R1017-R1019 VanDerWaalsContact C-N 3.3Å; R1017-R1019 PolarHBondContact O-N 2.99Å; R1017-L1020 PolarHBondContact O-N 3.26Å; R1017-L1021 HydrophobicContact CG-CG 4.35Å; R1017-L1021 VanDerWaalsContact CZ-CD1 3.41Å; R1017-L1021 WeakPolarHBondContact O-CG 3.07Å; R1017-L1021 PolarHBondContact O-N 2.91Å
1018A91Very high89.3Confident3 Ų320.8 Ų20.83%0.02511%0.112CC..Hα-helixtrans-59.3-40.918000000112E945 I1014 L1015 S1022E945-A1018 HydrophobicContact CB-CB 4.36Å; E945-A1018 HydrophobicContact CG-CB 3.92Å; I1014-A1018 PolarHBondContact O-N 3.13Å; L1015-A1018 PolarHBondContact O-N 2.87Å; A1018-S1022 WeakPolarHBondContact O-CB 3.18Å; A1018-S1022 PolarHBondContact O-N 2.71Å; A1018-S1022 PolarHBondContact O-OG 2.94Å
1019R93Very high88.6Confident0 Ų018.9 Ų18.90%010%0.101CC..Hα-helixtrans-63.3-49.3172.5-69.2-170.4-63.9-89.69.8112C722 G723 G946 W947 F1010 L1015 Q1016 R1017 L1021 S1022 Y1023C722-R1019 HydrophobicContact CB-CB 4.47Å; C722-R1019 PolarHBondContact O-NE 3.4Å; G723-R1019 PolarHBondContact O-NH2 2.75Å; G946-R1019 WeakPolarHBondContact O-CD 3.42Å; G946-R1019 WeakPolarHBondContact O-CG 3.46Å; G946-R1019 PolarHBondContact O-NH1 3.1Å; W947-R1019 HydrophobicContact CD2-CG 3.91Å; W947-R1019 HydrophobicContact CE3-CG 4.15Å; W947-R1019 HydrophobicContact CG-CG 4.32Å; W947-R1019 HydrophobicContact CH2-CB 4.17Å; W947-R1019 HydrophobicContact CH2-CG 4.33Å; W947-R1019 HydrophobicContact CZ2-CB 3.94Å; W947-R1019 HydrophobicContact CZ2-CG 4.13Å; W947-R1019 HydrophobicContact CZ3-CG 4.34Å; F1010-R1019 VanDerWaalsContact CE2-NH1 3.27Å; F1010-R1019 VanDerWaalsContact CZ-CZ 3.42Å; F1010-R1019 PolarHBondContact O-NH1 3.32Å; F1010-R1019 VanDerWaalsContact O-NH1 3.08Å; F1010-R1019 PolarHBondContact O-NH2 2.93Å; L1015-R1019 WeakPolarHBondContact O-CG 2.93Å; L1015-R1019 PolarHBondContact O-N 2.81Å; Q1016-R1019 PolarHBondContact O-N 2.86Å; R1017-R1019 VanDerWaalsContact C-N 3.3Å; R1017-R1019 PolarHBondContact O-N 2.99Å; R1019-L1021 VanDerWaalsContact C-N 3.27Å; R1019-L1021 PolarHBondContact O-N 3.02Å; R1019-S1022 PolarHBondContact O-N 2.93Å; R1019-S1022 PolarHBondContact O-OG 3.15Å; R1019-Y1023 VanDerWaalsContact O-CB 3.3Å; R1019-Y1023 WeakPolarHBondContact O-CB 3.23Å; R1019-Y1023 PolarHBondContact O-N 2.89Å
1020L93Very high87.6Confident0 Ų019 Ų190%011%0.106CC..Hα-helixtrans-56.7-40.4-179.1-173.265.2000112.3F705 L718 C722 I724 I744 A747 A748 Q1016 R1017F705-L1020 HydrophobicContact CE2-CG 4.14Å; F705-L1020 WeakPolarHBondContact CE2-O 3.35Å; F705-L1020 HydrophobicContact CZ-CD1 3.83Å; F705-L1020 HydrophobicContact CZ-CD2 4.49Å; F705-L1020 HydrophobicContact CZ-CG 3.83Å; L718-L1020 HydrophobicContact CD2-CD1 3.95Å; L718-L1020 HydrophobicContact CG-CD1 4.07Å; C722-L1020 HydrophobicContact CB-CD1 4.42Å; I724-L1020 HydrophobicContact CD1-CB 4.36Å; I744-L1020 HydrophobicContact CG2-CD2 4.42Å; A747-L1020 HydrophobicContact CB-CD2 3.98Å; A748-L1020 HydrophobicContact CB-CD2 4.03Å; Q1016-L1020 WeakPolarHBondContact O-CB 3.31Å; Q1016-L1020 PolarHBondContact O-N 3.06Å; R1017-L1020 PolarHBondContact O-N 3.26Å
1021L92.8Very high86.6Confident0 Ų022.1 Ų22.10%013%0.127CC..Hα-helixtrans-81.4-30.3-179.6-64.5-159.1000114.3Q23 E700 A701 C704 F705 R1017 R1019 P1024Q23-L1021 HydrophobicContact CB-CB 3.85Å; Q23-L1021 HydrophobicContact CG-CB 3.77Å; E700-L1021 HydrophobicContact CG-CD1 4.2Å; E700-L1021 WeakPolarHBondContact OE1-CD1 3.47Å; A701-L1021 HydrophobicContact CB-CD2 3.74Å; C704-L1021 HydrophobicContact CB-CB 4.37Å; C704-L1021 HydrophobicContact CB-CD2 4.41Å; F705-L1021 HydrophobicContact CD2-CD2 4.39Å; F705-L1021 HydrophobicContact CE2-CD2 3.97Å; R1017-L1021 HydrophobicContact CG-CG 4.35Å; R1017-L1021 VanDerWaalsContact CZ-CD1 3.41Å; R1017-L1021 WeakPolarHBondContact O-CG 3.07Å; R1017-L1021 PolarHBondContact O-N 2.91Å; R1019-L1021 VanDerWaalsContact C-N 3.27Å; R1019-L1021 PolarHBondContact O-N 3.02Å; L1021-P1024 WeakPolarHBondContact O-CD 3.4Å
1022S91.1Very high85.7Confident3 Ų323.5 Ų23.52%0.02114%0.135CC..Hα-helixtrans-83.4-27.3179.254.80000112.7W947 A1018 R1019 P1024 S1025 L1026W947-S1022 PolarHBondContact NE1-OG 2.88Å; A1018-S1022 WeakPolarHBondContact O-CB 3.18Å; A1018-S1022 PolarHBondContact O-N 2.71Å; A1018-S1022 PolarHBondContact O-OG 2.94Å; R1019-S1022 PolarHBondContact O-N 2.93Å; R1019-S1022 PolarHBondContact O-OG 3.15Å; S1022-P1024 VanDerWaalsContact C-CD 3.45Å; S1022-S1025 PolarHBondContact O-N 3.43Å; S1022-L1026 WeakPolarHBondContact O-CB 3.37Å; S1022-L1026 WeakPolarHBondContact O-CG 3.42Å; S1022-L1026 PolarHBondContact O-N 2.96Å
1023Y92.7Very high84.9Confident9 Ų922.2 Ų22.24%0.03513%0.13CC..Hα-helixtrans-52.2-45.7-175.6-172.4-106.1000114.5I709 T711 L718 K721 R891 W947 R1019 S1025 L1026 C1027I709-Y1023 HydrophobicContact CD1-CD1 4.47Å; I709-Y1023 HydrophobicContact CG2-CD1 4.13Å; I709-Y1023 HydrophobicContact CG2-CE1 3.71Å; T711-Y1023 PolarHBondContact OG1-OH 3.18Å; L718-Y1023 HydrophobicContact CD1-CD1 3.6Å; L718-Y1023 HydrophobicContact CD1-CE1 3.99Å; K721-Y1023 HydrophobicContact CB-CE1 4.17Å; K721-Y1023 HydrophobicContact CB-CE2 4.21Å; K721-Y1023 HydrophobicContact CD-CE1 4.46Å; K721-Y1023 WeakPolarHBondContact CD-OH 3.5Å; R891-Y1023 HydrophobicContact CG-CE2 4.28Å; W947-Y1023 AromaticContact CH2-CD2 3.63Å; W947-Y1023 HydrophobicContact CH2-CD2 3.63Å; W947-Y1023 HydrophobicContact CH2-CE2 4.41Å; W947-Y1023 HydrophobicContact CH2-CG 4.48Å; W947-Y1023 HydrophobicContact CZ2-CD2 4Å; R1019-Y1023 VanDerWaalsContact O-CB 3.3Å; R1019-Y1023 WeakPolarHBondContact O-CB 3.23Å; R1019-Y1023 PolarHBondContact O-N 2.89Å; Y1023-S1025 VanDerWaalsContact C-N 3.33Å; Y1023-S1025 PolarHBondContact O-N 2.65Å; Y1023-L1026 PolarHBondContact O-N 2.87Å; Y1023-L1026 VanDerWaalsContact O-N 3.17Å; Y1023-C1027 HydrophobicContact CE1-CB 4.28Å; Y1023-C1027 HydrophobicContact CE2-CB 4.39Å; Y1023-C1027 WeakPolarHBondContact O-CB 3.41Å; Y1023-C1027 PolarHBondContact O-N 3.29Å; Y1023-C1027 PolarHBondContact O-SG 3.3Å; Y1023-C1027 VanDerWaalsContact O-SG 3.35Å
1024P90.9Very high84.6Confident0 Ų021.1 Ų21.10%012%0.123CC..Hα-helixtrans-57.2-44.4179.8-22.231.9000113F705 V707 I709 L1021 S1022 C1027F705-P1024 HydrophobicContact CD2-CG 4.32Å; F705-P1024 HydrophobicContact CE2-CG 4.47Å; V707-P1024 HydrophobicContact CB-CB 3.88Å; V707-P1024 HydrophobicContact CG1-CB 4.4Å; V707-P1024 WeakPolarHBondContact CG1-O 3.15Å; I709-P1024 HydrophobicContact CD1-CB 4.05Å; I709-P1024 HydrophobicContact CD1-CG 3.73Å; I709-P1024 HydrophobicContact CG1-CB 3.96Å; I709-P1024 HydrophobicContact CG1-CG 4.21Å; L1021-P1024 WeakPolarHBondContact O-CD 3.4Å; S1022-P1024 VanDerWaalsContact C-CD 3.45Å; P1024-C1027 PolarHBondContact O-SG 3.06Å
1025S88.1Confident84.4Confident5 Ų522.4 Ų22.44%0.03512%0.124CC..Hα-helixtrans-74.9-32178.7-51.10000112.4S1022 Y1023 T1028 L1029S1022-S1025 PolarHBondContact O-N 3.43Å; Y1023-S1025 VanDerWaalsContact C-N 3.33Å; Y1023-S1025 PolarHBondContact O-N 2.65Å; S1025-T1028 PolarHBondContact O-OG1 2.69Å; S1025-L1029 WeakPolarHBondContact O-CG 3.44Å
1026L85.6Confident84.2Confident9 Ų923.5 Ų23.55%0.04713%0.13CC..Hα-helixtrans-78-26.5-179.6-71.7-179.9000113.1R891 W947 S1022 Y1023 L1029R891-L1026 PolarHBondContact NH1-O 2.79Å; W947-L1026 HydrophobicContact CZ2-CD1 4.17Å; S1022-L1026 WeakPolarHBondContact O-CB 3.37Å; S1022-L1026 WeakPolarHBondContact O-CG 3.42Å; S1022-L1026 PolarHBondContact O-N 2.96Å; Y1023-L1026 PolarHBondContact O-N 2.87Å; Y1023-L1026 VanDerWaalsContact O-N 3.17Å; L1026-L1029 HydrophobicContact CD2-CD1 3.73Å
1027C81.3Confident84Confident35 Ų3525.9 Ų25.924%0.23614%0.139CC..Hα-helixtrans-83.4-19.7-179.272.40000113.8Y1023 P1024 L1029Y1023-C1027 HydrophobicContact CE1-CB 4.28Å; Y1023-C1027 HydrophobicContact CE2-CB 4.39Å; Y1023-C1027 WeakPolarHBondContact O-CB 3.41Å; Y1023-C1027 PolarHBondContact O-N 3.29Å; Y1023-C1027 PolarHBondContact O-SG 3.3Å; Y1023-C1027 VanDerWaalsContact O-SG 3.35Å; P1024-C1027 PolarHBondContact O-SG 3.06Å; C1027-L1029 VanDerWaalsContact C-N 3.3Å
1028T73.9Confident83.8Confident49 Ų4927.4 Ų27.430%0.30115%0.15SC..SBendtrans-83.4-8.2174.658.60000112.9E30 V707 S1025 T1030E30-T1028 PolarHBondContact OE1-OG1 2.85Å; V707-T1028 HydrophobicContact CG1-CG2 3.65Å; S1025-T1028 PolarHBondContact O-OG1 2.69Å; T1028-T1030 PolarHBondContact O-N 2.61Å
1029L74.5Confident83.8Confident28 Ų2827.8 Ų27.815%0.14715%0.151CC..PPolyproline II helixtrans-66.6128.4177.6-62.9172.5000111.1P119 S1025 L1026 C1027P119-L1029 HydrophobicContact CB-CD1 3.43Å; P119-L1029 VanDerWaalsContact CB-CD1 3.43Å; P119-L1029 HydrophobicContact CB-CD2 4.02Å; P119-L1029 HydrophobicContact CB-CG 4.38Å; P119-L1029 HydrophobicContact CG-CD1 3.65Å; P119-L1029 HydrophobicContact CG-CD2 3.52Å; P119-L1029 HydrophobicContact CG-CG 4.22Å; S1025-L1029 WeakPolarHBondContact O-CG 3.44Å; L1026-L1029 HydrophobicContact CD2-CD1 3.73Å; C1027-L1029 VanDerWaalsContact C-N 3.3Å
1030T69Low83.6Confident60 Ų6030.7 Ų30.737%0.36817%0.169SC..PPolyproline II helixtrans-68.3156.6161.953.10000110.4N97 T1028N97-T1030 VanDerWaalsContact CA-OG1 3.25Å; N97-T1030 WeakPolarHBondContact CA-OG1 3.31Å; N97-T1030 WeakPolarHBondContact CB-OG1 3.24Å; T1028-T1030 PolarHBondContact O-N 2.61Å
1031P71.9Confident83.6Confident69 Ų6931.8 Ų31.845%0.44818%0.175SC..PPolyproline II helixtrans-52.6148.2177.6-2431.8000112.9
1032P71.4Confident83.4Confident32 Ų3236.7 Ų36.721%0.20820%0.198CC..PPolyproline II helixtrans-55.2150.3176.422.2-33.1000112.2N120 P937 P1034 R1035N120-P1032 VanDerWaalsContact OD1-CB 3.28Å; N120-P1032 WeakPolarHBondContact OD1-CB 3.34Å; P937-P1032 HydrophobicContact CB-CB 3.71Å; P937-P1032 HydrophobicContact CB-CG 4.32Å; P1032-P1034 CarbonylContact O-C 3.55Å; P1032-R1035 WeakPolarHBondContact O-CG 3.44Å
1033S72.4Confident83.2Confident23 Ų2336.7 Ų36.716%0.16120%0.197CC..SBendtrans-120.1128.1172.2-170.90000109.6
1034P81.2Confident82.7Confident0 Ų040.6 Ų40.60%022%0.219CC..SBendcis-70.6151.20.833.8-36.9000111.3M929 P937 P1032 F1068 A1123M929-P1034 HydrophobicContact CE-CG 4.47Å; P937-P1034 HydrophobicContact CG-CG 4.27Å; P1032-P1034 CarbonylContact O-C 3.55Å; P1034-F1068 HydrophobicContact CG-CB 4.27Å; P1034-F1068 HydrophobicContact CG-CD2 3.99Å; P1034-A1123 HydrophobicContact CB-CB 3.91Å; P1034-A1123 HydrophobicContact CG-CB 4.01Å
1035R83.5Confident82.2Confident89 Ų8944.4 Ų44.434%0.33623%0.233SC..EExtended strand (participates in β ladder)trans-73.3152.4169.1-68.5178.3178.9148.9-3.5108.7P1032 A1123 D1124P1032-R1035 WeakPolarHBondContact O-CG 3.44Å; R1035-A1123 CarbonylContact O-C 3.28Å; R1035-A1123 WeakPolarHBondContact O-CA 3.35Å; R1035-D1124 HydrophobicContact CB-CB 4.33Å; R1035-D1124 PolarHBondContact N-O 2.91Å; R1035-D1124 PolarHBondContact O-N 2.75Å
1036L87.4Confident82Confident38 Ų3847.2 Ų47.220%0.19925%0.246CC..EExtended strand (participates in β ladder)trans-106.8129.8173.1-61.9174.2000108.6F936 Y1073 T1121 A1123F936-L1036 HydrophobicContact CD1-CD1 4.24Å; F936-L1036 HydrophobicContact CE1-CD1 3.2Å; F936-L1036 HydrophobicContact CE2-CD1 4.42Å; F936-L1036 HydrophobicContact CZ-CD1 3.32Å; F936-L1036 HydrophobicContact CZ-CD2 4.43Å; L1036-Y1073 HydrophobicContact CD2-CD2 4.04Å; L1036-Y1073 HydrophobicContact CD2-CE2 4.29Å; L1036-T1121 HydrophobicContact CB-CG2 3.84Å; L1036-T1121 HydrophobicContact CD1-CG2 4.48Å; L1036-T1121 HydrophobicContact CD2-CG2 4.27Å; L1036-T1121 HydrophobicContact CG-CG2 4.42Å; L1036-A1123 HydrophobicContact CD2-CB 4.41Å
1037R86.3Confident82Confident51 Ų5146.9 Ų46.919%0.19224%0.244CC..EExtended strand (participates in β ladder)trans-119.9136.5176.9-72.3-170.2174.5175.68.3110T1121 I1122 D1124R1037-T1121 WeakPolarHBondContact O-CA 3.34Å; R1037-I1122 HydrophobicContact CB-CG2 4.2Å; R1037-I1122 PolarHBondContact N-O 3.16Å; R1037-I1122 PolarHBondContact O-N 3.22Å; R1037-D1124 HydrophobicContact CG-CB 4.24Å; R1037-D1124 IonicContact CZ-OD2 3.25Å; R1037-D1124 IonicContact NE-OD2 3.59Å; R1037-D1124 PolarHBondContact NE-OD2 3.27Å; R1037-D1124 IonicContact NH1-OD2 3.86Å; R1037-D1124 PolarHBondContact NH1-OD2 3.18Å; R1037-D1124 IonicContact NH2-OD2 3.41Å; R1037-D1124 PolarHBondContact NH2-OD2 3.19Å
1038N89.2Confident82.3Confident73 Ų7347.3 Ų47.339%0.3924%0.244SC..EExtended strand (participates in β ladder)trans-90.4125.6168.2-68.7-10000109.9D886 T1119 C1120 T1121D886-N1038 PolarHBondContact OD1-ND2 2.97Å; N1038-T1119 HydrophobicContact CB-CG2 4.16Å; N1038-C1120 CarbonylContact C-O 3.57Å; N1038-C1120 VanDerWaalsContact CA-O 3.24Å; N1038-C1120 WeakPolarHBondContact CA-O 3.4Å; N1038-T1121 WeakPolarHBondContact OD1-CB 3.35Å; N1038-T1121 PolarHBondContact OD1-OG1 3.43Å
1039I90.4Very high83Confident10 Ų1048.5 Ų48.55%0.05124%0.243CC..EExtended strand (participates in β ladder)trans-119.2120.4175.7-60.7173.3000108.1L1041 T1119 C1120 I1122 L1135 N1136 F1139I1039-L1041 HydrophobicContact CG2-CD2 4.37Å; I1039-L1041 HydrophobicContact CG2-CG 4.49Å; I1039-T1119 CarbonylContact O-C 3.6Å; I1039-T1119 VanDerWaalsContact O-CA 3.26Å; I1039-T1119 WeakPolarHBondContact O-CA 3.48Å; I1039-C1120 PolarHBondContact N-O 2.92Å; I1039-C1120 PolarHBondContact O-N 2.91Å; I1039-I1122 HydrophobicContact CD1-CG2 3.63Å; I1039-I1122 HydrophobicContact CG1-CG2 4.23Å; I1039-L1135 HydrophobicContact CD1-CB 3.67Å; I1039-N1136 WeakPolarHBondContact CD1-OD1 3.22Å; I1039-N1136 WeakPolarHBondContact CG1-OD1 3.35Å; I1039-N1136 WeakPolarHBondContact CG2-OD1 3.33Å; I1039-F1139 HydrophobicContact CB-CD1 4.12Å; I1039-F1139 HydrophobicContact CG2-CD1 3.73Å; I1039-F1139 HydrophobicContact CG2-CE1 4.42Å
1040T90.3Very high83.6Confident61 Ų6155.3 Ų55.337%0.37427%0.271SS..EExtended strand (participates in β ladder)trans-104.4120.9176.1-54.80000110.3H1042 W1117 L1118 T1119T1040-H1042 VanDerWaalsContact CG2-CE1 3.44Å; T1040-H1042 WeakPolarHBondContact CG2-CE1 3.39Å; T1040-W1117 HydrophobicContact CG2-CB 4.43Å; T1040-W1117 HydrophobicContact CG2-CE3 4.35Å; T1040-L1118 WeakPolarHBondContact CA-O 3.48Å; T1040-T1119 WeakPolarHBondContact CG2-OG1 3.44Å; T1040-T1119 WeakPolarHBondContact OG1-CG2 3.45Å; T1040-T1119 PolarHBondContact OG1-OG1 3.23Å
1041L91.1Very high84.6Confident23 Ų2354.3 Ų54.312%0.1227%0.266CS..EExtended strand (participates in β ladder)trans-103.4134.1171.4-62.5179.1000109.8I1039 W1117 L1118 F1139 A1140 F1143 F1235I1039-L1041 HydrophobicContact CG2-CD2 4.37Å; I1039-L1041 HydrophobicContact CG2-CG 4.49Å; L1041-W1117 CarbonylContact O-C 3.34Å; L1041-W1117 VanDerWaalsContact O-CA 3.23Å; L1041-W1117 WeakPolarHBondContact O-CA 2.94Å; L1041-L1118 PolarHBondContact N-O 3.33Å; L1041-L1118 PolarHBondContact O-N 3.49Å; L1041-F1139 HydrophobicContact CB-CE1 4.19Å; L1041-F1139 HydrophobicContact CD1-CD1 3.27Å; L1041-F1139 HydrophobicContact CD1-CE1 3.42Å; L1041-F1139 VanDerWaalsContact CD1-CE1 3.42Å; L1041-F1139 HydrophobicContact CD1-CG 3.89Å; L1041-F1139 HydrophobicContact CD1-CZ 4.11Å; L1041-F1139 HydrophobicContact CD2-CD1 4.41Å; L1041-F1139 HydrophobicContact CG-CD1 3.52Å; L1041-F1139 HydrophobicContact CG-CE1 3.51Å; L1041-A1140 HydrophobicContact CD1-CB 4.18Å; L1041-F1143 HydrophobicContact CD1-CB 4.49Å; L1041-F1143 HydrophobicContact CD1-CD1 4.3Å; L1041-F1235 HydrophobicContact CB-CE1 3.95Å; L1041-F1235 HydrophobicContact CD1-CE1 3.89Å; L1041-F1235 HydrophobicContact CD1-CZ 3.79Å; L1041-F1235 HydrophobicContact CD2-CE1 4.42Å; L1041-F1235 HydrophobicContact CG-CE1 4.31Å
1042H89Confident85.5Confident104 Ų10451 Ų5148%0.48125%0.245SC..EExtended strand (participates in β ladder)trans-110.2141175.2-61.779.5000109.4T1040 L1115 Y1116T1040-H1042 VanDerWaalsContact CG2-CE1 3.44Å; T1040-H1042 WeakPolarHBondContact CG2-CE1 3.39Å; H1042-L1115 HydrophobicContact CB-CD2 4.11Å; H1042-Y1116 WeakPolarHBondContact CA-O 3.49Å
1043F87.9Confident86.3Confident3 Ų351.8 Ų51.81%0.01325%0.246CC..EExtended strand (participates in β ladder)trans-156.2156.9-176.557.7-80.9000110.6R1045 L1047 I1079 Y1116 L1118 F1143 L1234 F1235F1043-R1045 VanDerWaalsContact CD2-O 3.22Å; F1043-R1045 WeakPolarHBondContact CD2-O 3.38Å; F1043-R1045 WeakPolarHBondContact CE2-O 3.4Å; F1043-L1047 HydrophobicContact CE2-CD1 4.38Å; F1043-L1047 HydrophobicContact CE2-CD2 4.08Å; F1043-L1047 HydrophobicContact CE2-CG 4.2Å; F1043-L1047 HydrophobicContact CZ-CD1 4.35Å; F1043-I1079 HydrophobicContact CZ-CG2 3.93Å; F1043-Y1116 HydrophobicContact CD2-CD2 4.19Å; F1043-Y1116 HydrophobicContact CD2-CG 4.45Å; F1043-Y1116 VanDerWaalsContact CE2-CB 3.42Å; F1043-Y1116 HydrophobicContact CE2-CD2 4.12Å; F1043-Y1116 HydrophobicContact CE2-CG 4.08Å; F1043-Y1116 PolarHBondContact N-O 3.02Å; F1043-Y1116 CarbonylContact O-C 3.58Å; F1043-Y1116 WeakPolarHBondContact O-CA 3.35Å; F1043-Y1116 WeakPolarHBondContact O-CB 3.23Å; F1043-Y1116 PolarHBondContact O-N 3.33Å; F1043-Y1116 VanDerWaalsContact O-O 3.1Å; F1043-L1118 HydrophobicContact CE1-CB 4.04Å; F1043-F1143 AromaticContact CD1-CE1 3.57Å; F1043-F1143 HydrophobicContact CD1-CE1 3.57Å; F1043-F1143 HydrophobicContact CD1-CZ 4.07Å; F1043-F1143 HydrophobicContact CD2-CE1 4.31Å; F1043-F1143 HydrophobicContact CD2-CZ 4.37Å; F1043-F1143 AromaticContact CE1-CE1 3.52Å; F1043-F1143 HydrophobicContact CE1-CE1 3.52Å; F1043-F1143 AromaticContact CE1-CZ 3.58Å; F1043-F1143 HydrophobicContact CE1-CZ 3.58Å; F1043-F1143 HydrophobicContact CE2-CE1 4.27Å; F1043-F1143 AromaticContact CE2-CZ 3.91Å; F1043-F1143 HydrophobicContact CE2-CZ 3.91Å; F1043-F1143 AromaticContact CG-CE1 3.98Å; F1043-F1143 HydrophobicContact CG-CE1 3.98Å; F1043-F1143 HydrophobicContact CG-CZ 4.44Å; F1043-F1143 AromaticContact CZ-CE1 3.89Å; F1043-F1143 HydrophobicContact CZ-CE1 3.89Å; F1043-F1143 AromaticContact CZ-CZ 3.49Å; F1043-F1143 HydrophobicContact CZ-CZ 3.49Å; F1043-F1143 VanDerWaalsContact CZ-CZ 3.49Å; F1043-L1234 HydrophobicContact CB-CG 4.15Å; F1043-L1234 HydrophobicContact CD2-CD1 4.16Å; F1043-L1234 HydrophobicContact CG-CG 4.47Å; F1043-F1235 HydrophobicContact CB-CD1 4.33Å
1044N82.4Confident87.2Confident90 Ų9056.1 Ų56.148%0.48127%0.267SS..  trans-110.1-2.1-173.2-63.4-25.3000113.7K1114 L1115N1044-K1114 WeakPolarHBondContact CA-O 3.44Å; N1044-K1114 PolarHBondContact OD1-O 2.85Å; N1044-L1115 WeakPolarHBondContact OD1-CD1 3.48Å
1045R80.7Confident87.6Confident80 Ų8057.3 Ų57.330%0.30228%0.277SS..SBendtrans-100.5148.6-174.9-76-177.5163.9-161.82.7112.3F1043 Y1116 S1232 L1234F1043-R1045 VanDerWaalsContact CD2-O 3.22Å; F1043-R1045 WeakPolarHBondContact CD2-O 3.38Å; F1043-R1045 WeakPolarHBondContact CE2-O 3.4Å; R1045-Y1116 WeakPolarHBondContact O-CD2 3.36Å; R1045-S1232 VanDerWaalsContact CZ-OG 3.28Å; R1045-S1232 PolarHBondContact NH1-O 2.89Å; R1045-S1232 VanDerWaalsContact NH2-N 3.11Å; R1045-S1232 PolarHBondContact NH2-O 3.17Å; R1045-S1232 VanDerWaalsContact NH2-O 3.14Å; R1045-S1232 PolarHBondContact NH2-OG 2.83Å; R1045-L1234 HydrophobicContact CB-CD1 3.94Å
1046Q82.7Confident88Confident65 Ų6553.1 Ų53.130%0.30426%0.261SS..PPolyproline II helixtrans-80.3151.8174.6-62.1176.5-23.200110.3A1080 V1082 Y1116Q1046-A1080 CarbonylContact C-O 3.46Å; Q1046-A1080 WeakPolarHBondContact CA-O 3.49Å; Q1046-A1080 HydrophobicContact CG-CB 4.09Å; Q1046-V1082 HydrophobicContact CB-CG2 3.99Å; Q1046-Y1116 HydrophobicContact CG-CE2 4.05Å; Q1046-Y1116 PolarHBondContact NE2-OH 3.11Å
1047L86.6Confident88Confident2 Ų256 Ų561%0.0128%0.277CS..BIsolated β-bridgetrans-100.3152.6-174.8-56.3178.1000112F1043 R1049 F1052 I1079 A1080 F1081 V1082 F1143 L1234F1043-L1047 HydrophobicContact CE2-CD1 4.38Å; F1043-L1047 HydrophobicContact CE2-CD2 4.08Å; F1043-L1047 HydrophobicContact CE2-CG 4.2Å; F1043-L1047 HydrophobicContact CZ-CD1 4.35Å; L1047-R1049 PolarHBondContact O-N 2.8Å; L1047-F1052 HydrophobicContact CD1-CD2 3.88Å; L1047-F1052 HydrophobicContact CD1-CE2 3.92Å; L1047-F1052 HydrophobicContact CD1-CG 4.19Å; L1047-F1052 HydrophobicContact CD1-CZ 4.24Å; L1047-I1079 HydrophobicContact CD1-CB 4.15Å; L1047-I1079 HydrophobicContact CD1-CD1 4.29Å; L1047-I1079 HydrophobicContact CD1-CG2 4.13Å; L1047-A1080 PolarHBondContact N-O 3.09Å; L1047-F1081 HydrophobicContact CB-CD1 4.15Å; L1047-F1081 HydrophobicContact CB-CE1 4.38Å; L1047-F1081 VanDerWaalsContact O-CA 3.22Å; L1047-F1081 WeakPolarHBondContact O-CA 3.1Å; L1047-F1081 WeakPolarHBondContact O-CD1 3.35Å; L1047-V1082 PolarHBondContact O-N 2.8Å; L1047-F1143 HydrophobicContact CD1-CE2 3.83Å; L1047-F1143 HydrophobicContact CD1-CZ 3.9Å; L1047-F1143 HydrophobicContact CD2-CE2 3.96Å; L1047-F1143 HydrophobicContact CD2-CZ 3.72Å; L1047-F1143 HydrophobicContact CG-CZ 4.42Å; L1047-L1234 HydrophobicContact CD2-CD1 4.18Å
1048D86.1Confident88.2Confident44 Ų4454.9 Ų54.924%0.23528%0.281CS..PPolyproline II helixtrans-80.7116.5168.8-75.1-41.3000109.5K1050 P1051 F1052 T1148D1048-K1050 PolarHBondContact O-N 2.83Å; D1048-P1051 HydrophobicContact CB-CG 3.37Å; D1048-P1051 VanDerWaalsContact O-CD 3.27Å; D1048-P1051 WeakPolarHBondContact O-CD 3.44Å; D1048-P1051 WeakPolarHBondContact O-CG 3.49Å; D1048-F1052 VanDerWaalsContact O-CB 3.25Å; D1048-F1052 WeakPolarHBondContact O-CB 3.21Å; D1048-F1052 PolarHBondContact O-N 2.9Å; D1048-T1148 WeakPolarHBondContact OD2-CB 3.46Å; D1048-T1148 WeakPolarHBondContact OD2-CG2 3.44Å; D1048-T1148 PolarHBondContact OD2-OG1 2.71Å
1049R88.5Confident88.4Confident73 Ų7351.8 Ų51.828%0.27526%0.264SS..Hα-helixtrans-57.7-46.7-172.2-175.3178.4-110154.5-9.4113.6L1047 M1053 F1081 D1083 Y1089L1047-R1049 PolarHBondContact O-N 2.8Å; R1049-M1053 HydrophobicContact CG-CG 4.2Å; R1049-M1053 WeakPolarHBondContact O-CB 3.5Å; R1049-M1053 WeakPolarHBondContact O-CG 3.4Å; R1049-M1053 PolarHBondContact O-N 3.04Å; R1049-F1081 VanDerWaalsContact CA-CD1 3.42Å; R1049-F1081 HydrophobicContact CB-CB 4.33Å; R1049-F1081 HydrophobicContact CB-CD1 3.55Å; R1049-F1081 HydrophobicContact CB-CE1 3.96Å; R1049-F1081 HydrophobicContact CB-CG 3.95Å; R1049-F1081 HydrophobicContact CG-CD1 4.08Å; R1049-F1081 HydrophobicContact CG-CE1 4.07Å; R1049-F1081 HydrophobicContact CG-CG 4.35Å; R1049-F1081 HydrophobicContact CG-CZ 4.36Å; R1049-D1083 IonicContact CZ-OD2 2.78Å; R1049-D1083 IonicContact NH1-OD1 3.25Å; R1049-D1083 IonicContact NH1-OD2 3.57Å; R1049-D1083 PolarHBondContact NH1-OD2 3.37Å; R1049-Y1089 VanDerWaalsContact NH2-CZ 3.26Å; R1049-Y1089 PolarHBondContact NH2-OH 3.39Å; R1049-Y1089 VanDerWaalsContact NH2-OH 3.09Å
1050K88.5Confident88.4Confident171 Ų17153.6 Ų53.674%0.74327%0.272SS*.Hα-helixtrans-62.4-57.4-176.8-70-176.4-179.1179.90113.5D1048 F1052 M1053 N1054D1048-K1050 PolarHBondContact O-N 2.83Å; K1050-F1052 VanDerWaalsContact C-N 3.32Å; K1050-F1052 PolarHBondContact O-N 2.83Å; K1050-M1053 PolarHBondContact O-N 3.4Å; K1050-N1054 WeakPolarHBondContact O-CB 3.49Å; K1050-N1054 VanDerWaalsContact O-CG 3.28Å; K1050-N1054 PolarHBondContact O-N 2.99Å
1051P88.8Confident88.3Confident40 Ų4053.9 Ų53.926%0.2629%0.287SS..Hα-helixtrans-64.7-36.4-179.226.8-36000112.1D1048 N1054 A1055 T1146D1048-P1051 HydrophobicContact CB-CG 3.37Å; D1048-P1051 VanDerWaalsContact O-CD 3.27Å; D1048-P1051 WeakPolarHBondContact O-CD 3.44Å; D1048-P1051 WeakPolarHBondContact O-CG 3.49Å; P1051-N1054 PolarHBondContact O-N 2.86Å; P1051-A1055 WeakPolarHBondContact O-CB 3.21Å; P1051-A1055 PolarHBondContact O-N 3.3Å; P1051-T1146 WeakPolarHBondContact CB-O 3.45Å; P1051-T1146 WeakPolarHBondContact CG-O 3.19Å
1052F90.5Very high88.2Confident0 Ų058 Ų580%031%0.309CS..Hα-helixtrans-61.6-49.2175.2-176.9-105.9000112.6L1047 D1048 K1050 N1054 A1055 L1056 I1079 F1081 L1091 F1143 T1146L1047-F1052 HydrophobicContact CD1-CD2 3.88Å; L1047-F1052 HydrophobicContact CD1-CE2 3.92Å; L1047-F1052 HydrophobicContact CD1-CG 4.19Å; L1047-F1052 HydrophobicContact CD1-CZ 4.24Å; D1048-F1052 VanDerWaalsContact O-CB 3.25Å; D1048-F1052 WeakPolarHBondContact O-CB 3.21Å; D1048-F1052 PolarHBondContact O-N 2.9Å; K1050-F1052 VanDerWaalsContact C-N 3.32Å; K1050-F1052 PolarHBondContact O-N 2.83Å; F1052-N1054 VanDerWaalsContact C-N 3.32Å; F1052-N1054 PolarHBondContact O-N 3.02Å; F1052-A1055 PolarHBondContact O-N 3.29Å; F1052-L1056 HydrophobicContact CD1-CD1 3.93Å; F1052-L1056 HydrophobicContact CD1-CG 4.45Å; F1052-L1056 HydrophobicContact CE1-CD1 3.45Å; F1052-L1056 VanDerWaalsContact CE1-CD1 3.45Å; F1052-L1056 HydrophobicContact CE1-CG 4.11Å; F1052-L1056 HydrophobicContact CZ-CD1 3.91Å; F1052-L1056 HydrophobicContact CZ-CD2 4.27Å; F1052-L1056 HydrophobicContact CZ-CG 4.16Å; F1052-L1056 WeakPolarHBondContact O-CG 3.4Å; F1052-L1056 PolarHBondContact O-N 2.93Å; F1052-I1079 HydrophobicContact CD1-CD1 4.16Å; F1052-I1079 HydrophobicContact CE1-CD1 3.45Å; F1052-I1079 VanDerWaalsContact CE1-CD1 3.45Å; F1052-I1079 HydrophobicContact CZ-CD1 3.96Å; F1052-F1081 AromaticContact CD1-CE1 3.88Å; F1052-F1081 HydrophobicContact CD1-CE1 3.88Å; F1052-F1081 HydrophobicContact CD1-CZ 4.19Å; F1052-F1081 HydrophobicContact CG-CE1 4.5Å; F1052-L1091 HydrophobicContact CE1-CD2 3.99Å; F1052-L1091 HydrophobicContact CZ-CD2 3.73Å; F1052-F1143 HydrophobicContact CD2-CE2 4.24Å; F1052-F1143 HydrophobicContact CE2-CD2 4.33Å; F1052-F1143 AromaticContact CE2-CE2 3.83Å; F1052-F1143 HydrophobicContact CE2-CE2 3.83Å; F1052-T1146 HydrophobicContact CD2-CG2 4.25Å
1053M90.1Very high88.3Confident47 Ų4754.5 Ų54.523%0.23229%0.294CS..Hα-helixtrans-64.9-35.9178-68.3-61.8-68.800112.5R1049 K1050 L1056 N1057 N1100R1049-M1053 HydrophobicContact CG-CG 4.2Å; R1049-M1053 WeakPolarHBondContact O-CB 3.5Å; R1049-M1053 WeakPolarHBondContact O-CG 3.4Å; R1049-M1053 PolarHBondContact O-N 3.04Å; K1050-M1053 PolarHBondContact O-N 3.4Å; M1053-L1056 PolarHBondContact O-N 3.45Å; M1053-L1056 HydrophobicContact SD-CD1 4.06Å; M1053-N1057 PolarHBondContact O-N 2.64Å; M1053-N1057 PolarHBondContact O-ND2 2.83Å; M1053-N1100 WeakPolarHBondContact CE-ND2 3.41Å
1054N90Very high88.4Confident115 Ų11559.7 Ų59.762%0.61532%0.317SS*.Hα-helixtrans-65.3-43.6174.6-73.4-9.4000111.6K1050 P1051 F1052 N1057 G1058K1050-N1054 WeakPolarHBondContact O-CB 3.49Å; K1050-N1054 VanDerWaalsContact O-CG 3.28Å; K1050-N1054 PolarHBondContact O-N 2.99Å; P1051-N1054 PolarHBondContact O-N 2.86Å; F1052-N1054 VanDerWaalsContact C-N 3.32Å; F1052-N1054 PolarHBondContact O-N 3.02Å; N1054-N1057 PolarHBondContact O-N 2.75Å; N1054-G1058 PolarHBondContact O-N 3.02Å
1055A90.1Very high88.4Confident25 Ų2560 Ų6021%0.20732%0.323CS..Hα-helixtrans-62.2-43.9176.400000111.6P1051 F1052 N1057 G1058 I1059 W1142 T1146P1051-A1055 WeakPolarHBondContact O-CB 3.21Å; P1051-A1055 PolarHBondContact O-N 3.3Å; F1052-A1055 PolarHBondContact O-N 3.29Å; A1055-N1057 PolarHBondContact O-N 3.16Å; A1055-G1058 PolarHBondContact O-N 2.9Å; A1055-G1058 VanDerWaalsContact O-N 3.09Å; A1055-I1059 WeakPolarHBondContact O-CG1 3.19Å; A1055-I1059 PolarHBondContact O-N 3.38Å; A1055-W1142 HydrophobicContact CB-CZ2 4.15Å; A1055-T1146 HydrophobicContact CB-CG2 3.48Å; A1055-T1146 VanDerWaalsContact CB-CG2 3.48Å
1056L90.8Very high88.2Confident0 Ų059.8 Ų59.80%032%0.322CS..Hα-helixtrans-56.7-47174-74.3177.8000112.1F1052 M1053 G1058 I1059 L1075 L1091 Y1093 W1142F1052-L1056 HydrophobicContact CD1-CD1 3.93Å; F1052-L1056 HydrophobicContact CD1-CG 4.45Å; F1052-L1056 HydrophobicContact CE1-CD1 3.45Å; F1052-L1056 VanDerWaalsContact CE1-CD1 3.45Å; F1052-L1056 HydrophobicContact CE1-CG 4.11Å; F1052-L1056 HydrophobicContact CZ-CD1 3.91Å; F1052-L1056 HydrophobicContact CZ-CD2 4.27Å; F1052-L1056 HydrophobicContact CZ-CG 4.16Å; F1052-L1056 WeakPolarHBondContact O-CG 3.4Å; F1052-L1056 PolarHBondContact O-N 2.93Å; M1053-L1056 PolarHBondContact O-N 3.45Å; M1053-L1056 HydrophobicContact SD-CD1 4.06Å; L1056-G1058 PolarHBondContact O-N 3.4Å; L1056-I1059 HydrophobicContact CD2-CD1 4.1Å; L1056-I1059 PolarHBondContact O-N 2.87Å; L1056-L1075 HydrophobicContact CD2-CD1 3.55Å; L1056-L1091 HydrophobicContact CD1-CD1 3.93Å; L1056-L1091 HydrophobicContact CD1-CD2 4.26Å; L1056-L1091 HydrophobicContact CD2-CD2 4.46Å; L1056-Y1093 HydrophobicContact CB-CD2 4.19Å; L1056-Y1093 HydrophobicContact CB-CE2 4.08Å; L1056-Y1093 HydrophobicContact CD2-CD1 4.32Å; L1056-Y1093 HydrophobicContact CD2-CD2 4.24Å; L1056-Y1093 HydrophobicContact CD2-CG 4.06Å; L1056-Y1093 WeakPolarHBondContact O-CE2 3.4Å; L1056-Y1093 PolarHBondContact O-OH 3.5Å; L1056-W1142 HydrophobicContact CD2-CH2 4.01Å; L1056-W1142 HydrophobicContact CD2-CZ2 4.49Å
1057N89.2Confident88.1Confident100 Ų10059.4 Ų59.454%0.53533%0.326SS..Hα-helixtrans-68.1-22.5179.1-69-26.8000112.8M1053 N1054 A1055 N1100M1053-N1057 PolarHBondContact O-N 2.64Å; M1053-N1057 PolarHBondContact O-ND2 2.83Å; N1054-N1057 PolarHBondContact O-N 2.75Å; A1055-N1057 PolarHBondContact O-N 3.16Å; N1057-N1100 PolarHBondContact OD1-ND2 3.04Å; N1057-N1100 VanDerWaalsContact OD1-ND2 3.15Å
1058G89.9Confident88.1Confident27 Ų2759.7 Ų59.728%0.27833%0.327SS..Hα-helixtrans-75.2-29176.800000114.8N1054 A1055 L1056 F1060 G1061 D1062N1054-G1058 PolarHBondContact O-N 3.02Å; A1055-G1058 PolarHBondContact O-N 2.9Å; A1055-G1058 VanDerWaalsContact O-N 3.09Å; L1056-G1058 PolarHBondContact O-N 3.4Å; G1058-F1060 PolarHBondContact O-N 2.8Å; G1058-G1061 PolarHBondContact O-N 3.01Å; G1058-D1062 PolarHBondContact O-N 2.82Å
1059I92.3Very high88.3Confident7 Ų759.4 Ų59.44%0.03632%0.324CS..THydrogen-bonded Turntrans-51.5-40.9-172.6-60.5172.6000112.7A1055 L1056 G1061 D1062 L1063 I1072 L1075 Y1093 T1095 W1142A1055-I1059 WeakPolarHBondContact O-CG1 3.19Å; A1055-I1059 PolarHBondContact O-N 3.38Å; L1056-I1059 HydrophobicContact CD2-CD1 4.1Å; L1056-I1059 PolarHBondContact O-N 2.87Å; I1059-G1061 VanDerWaalsContact C-N 3.31Å; I1059-G1061 PolarHBondContact O-N 2.77Å; I1059-D1062 PolarHBondContact O-N 2.86Å; I1059-D1062 VanDerWaalsContact O-N 3.14Å; I1059-L1063 PolarHBondContact O-N 3.28Å; I1059-I1072 HydrophobicContact CG2-CB 4.1Å; I1059-L1075 HydrophobicContact CD1-CD1 3.32Å; I1059-Y1093 HydrophobicContact CB-CE1 4.43Å; I1059-Y1093 HydrophobicContact CD1-CD1 4.33Å; I1059-Y1093 HydrophobicContact CD1-CE1 3.75Å; I1059-T1095 HydrophobicContact CB-CG2 4.43Å; I1059-T1095 HydrophobicContact CG2-CG2 3.82Å; I1059-W1142 HydrophobicContact CD1-CH2 4.04Å; I1059-W1142 HydrophobicContact CD1-CZ2 3.52Å; I1059-W1142 HydrophobicContact CG1-CZ2 3.77Å
1060F91.3Very high88.4Confident49 Ų4956.7 Ų56.722%0.21532%0.319CS..THydrogen-bonded Turntrans-61.6-38.8-179.8-178.7-91000112.4K966 M967 G1058 D1062 L1063 T1095 L1096K966-F1060 HydrophobicContact CB-CE1 4.37Å; K966-F1060 HydrophobicContact CB-CE2 3.68Å; K966-F1060 HydrophobicContact CB-CZ 3.56Å; K966-F1060 HydrophobicContact CD-CD2 4.04Å; K966-F1060 HydrophobicContact CD-CE2 3.95Å; K966-F1060 HydrophobicContact CD-CG 4.45Å; K966-F1060 HydrophobicContact CD-CZ 4.28Å; M967-F1060 HydrophobicContact CE-CE2 3.72Å; M967-F1060 HydrophobicContact CE-CZ 3.72Å; M967-F1060 HydrophobicContact CG-CE2 4.45Å; M967-F1060 HydrophobicContact CG-CZ 4.21Å; M967-F1060 HydrophobicContact SD-CE1 4.49Å; M967-F1060 HydrophobicContact SD-CE2 4.13Å; M967-F1060 HydrophobicContact SD-CZ 3.6Å; M967-F1060 VanDerWaalsContact SD-CZ 3.6Å; G1058-F1060 PolarHBondContact O-N 2.8Å; F1060-D1062 VanDerWaalsContact C-N 3.3Å; F1060-L1063 HydrophobicContact CD2-CD1 4.02Å; F1060-L1063 HydrophobicContact CE2-CD1 4.36Å; F1060-L1063 WeakPolarHBondContact O-CB 3.46Å; F1060-L1063 WeakPolarHBondContact O-CG 3.21Å; F1060-T1095 HydrophobicContact CB-CG2 4.01Å; F1060-T1095 HydrophobicContact CD2-CG2 4.18Å; F1060-L1096 HydrophobicContact CE2-CD2 4.44Å
1061G88.2Confident88.6Confident67 Ų6748.9 Ų48.969%0.69129%0.285SS*.THydrogen-bonded Turntrans-73.2-23.4176.400000113.4G1058 I1059 L1063G1058-G1061 PolarHBondContact O-N 3.01Å; I1059-G1061 VanDerWaalsContact C-N 3.31Å; I1059-G1061 PolarHBondContact O-N 2.77Å; G1061-L1063 VanDerWaalsContact C-N 3.32Å
1062D89.7Confident88.8Confident108 Ų10847.5 Ų47.558%0.57828%0.276SS*.THydrogen-bonded Turntrans-86.8-0.7178.7-61.2-30.3000113.1G1058 I1059 F1060 K1064G1058-D1062 PolarHBondContact O-N 2.82Å; I1059-D1062 PolarHBondContact O-N 2.86Å; I1059-D1062 VanDerWaalsContact O-N 3.14Å; F1060-D1062 VanDerWaalsContact C-N 3.3Å; D1062-K1064 PolarHBondContact O-N 3.03Å; D1062-K1064 VanDerWaalsContact O-N 3.13Å
1063L90.6Very high88.9Confident31 Ų3147.7 Ų47.716%0.16228%0.276CS..  trans-60.6117.8177.1-71.5178.2000110.1M967 I1059 F1060 G1061 N1071 Y1073 T1095 L1096M967-L1063 HydrophobicContact CE-CD1 3.81Å; I1059-L1063 PolarHBondContact O-N 3.28Å; F1060-L1063 HydrophobicContact CD2-CD1 4.02Å; F1060-L1063 HydrophobicContact CE2-CD1 4.36Å; F1060-L1063 WeakPolarHBondContact O-CB 3.46Å; F1060-L1063 WeakPolarHBondContact O-CG 3.21Å; G1061-L1063 VanDerWaalsContact C-N 3.32Å; L1063-N1071 HydrophobicContact CD2-CB 3.73Å; L1063-Y1073 HydrophobicContact CD2-CE1 4.4Å; L1063-T1095 HydrophobicContact CD1-CG2 3.96Å; L1063-T1095 HydrophobicContact CD2-CG2 4.19Å; L1063-T1095 HydrophobicContact CG-CG2 4.21Å; L1063-L1096 HydrophobicContact CD1-CD2 3.74Å
1064K88.8Confident89.1Confident113 Ų11346 Ų4649%0.49127%0.269SS..  trans-77.7148.5176.7-59.6173.2-171.81690109.8D1062 F1068 N1071D1062-K1064 PolarHBondContact O-N 3.03Å; D1062-K1064 VanDerWaalsContact O-N 3.13Å; K1064-F1068 WeakPolarHBondContact O-CD1 3.48Å; K1064-N1071 WeakPolarHBondContact CB-OD1 3.41Å; K1064-N1071 PolarHBondContact N-ND2 3.29Å; K1064-N1071 PolarHBondContact N-OD1 3.17Å; K1064-N1071 PolarHBondContact O-ND2 3.08Å
1065P83.5Confident89.2Confident95 Ų9540.6 Ų40.662%0.61724%0.24SC*.  trans-65.7-178.616930.3-35.8000111.2F1068P1065-F1068 PolarHBondContact O-N 2.92Å
1066W77Confident89.3Confident76 Ų7641.8 Ų41.829%0.28825%0.246SC..THydrogen-bonded Turntrans-44129.6175.1177.7-102.7000111.4R122 F1068R122-W1066 VanDerWaalsContact NH2-CE3 3.31Å; R122-W1066 VanDerWaalsContact NH2-CZ2 3.35Å; W1066-F1068 HydrophobicContact CB-CZ 4.34Å; W1066-F1068 AromaticContact CE3-CD2 3.64Å; W1066-F1068 HydrophobicContact CE3-CD2 3.64Å; W1066-F1068 AromaticContact CE3-CE2 3.45Å; W1066-F1068 HydrophobicContact CE3-CE2 3.45Å; W1066-F1068 VanDerWaalsContact CE3-CE2 3.45Å; W1066-F1068 HydrophobicContact CE3-CZ 4.33Å; W1066-F1068 HydrophobicContact CZ3-CD2 4.05Å; W1066-F1068 HydrophobicContact CZ3-CE2 4.08Å
1067P79.5Confident89.3Confident58 Ų5841.9 Ų41.938%0.37725%0.247SC..THydrogen-bonded Turncis-9420.417.239.9-38.8000116.3H1069 A1125P1067-H1069 HydrophobicContact CG-CB 4.36Å; P1067-H1069 PolarHBondContact O-N 2.86Å; P1067-A1125 HydrophobicContact CB-CB 3.63Å; P1067-A1125 HydrophobicContact CG-CB 3.98Å; P1067-A1125 WeakPolarHBondContact O-CB 3.17Å
1068F87.7Confident89.4Confident7 Ų739.3 Ų39.33%0.03123%0.232CC..  trans61.410.4179.3-45.7-62.3000114.7M929 D930 M934 P1034 K1064 P1065 W1066 G1070 N1071 A1123M929-F1068 HydrophobicContact CE-CB 4.24Å; M929-F1068 HydrophobicContact CE-CD1 4.09Å; M929-F1068 HydrophobicContact CE-CD2 3.58Å; M929-F1068 HydrophobicContact CE-CE1 4.38Å; M929-F1068 HydrophobicContact CE-CE2 3.86Å; M929-F1068 HydrophobicContact CE-CG 3.7Å; M929-F1068 HydrophobicContact CE-CZ 4.28Å; D930-F1068 HydrophobicContact CB-CE1 3.74Å; D930-F1068 HydrophobicContact CB-CZ 3.63Å; M934-F1068 HydrophobicContact CE-CD2 3.89Å; M934-F1068 HydrophobicContact CE-CE2 3.3Å; M934-F1068 HydrophobicContact CE-CZ 4.12Å; M934-F1068 HydrophobicContact SD-CE2 3.85Å; P1034-F1068 HydrophobicContact CG-CB 4.27Å; P1034-F1068 HydrophobicContact CG-CD2 3.99Å; K1064-F1068 WeakPolarHBondContact O-CD1 3.48Å; P1065-F1068 PolarHBondContact O-N 2.92Å; W1066-F1068 HydrophobicContact CB-CZ 4.34Å; W1066-F1068 AromaticContact CE3-CD2 3.64Å; W1066-F1068 HydrophobicContact CE3-CD2 3.64Å; W1066-F1068 AromaticContact CE3-CE2 3.45Å; W1066-F1068 HydrophobicContact CE3-CE2 3.45Å; W1066-F1068 VanDerWaalsContact CE3-CE2 3.45Å; W1066-F1068 HydrophobicContact CE3-CZ 4.33Å; W1066-F1068 HydrophobicContact CZ3-CD2 4.05Å; W1066-F1068 HydrophobicContact CZ3-CE2 4.08Å; F1068-G1070 PolarHBondContact O-N 2.89Å; F1068-N1071 VanDerWaalsContact O-CB 3.24Å; F1068-N1071 WeakPolarHBondContact O-CB 3.25Å; F1068-N1071 VanDerWaalsContact O-CG 3.29Å; F1068-N1071 PolarHBondContact O-N 3.4Å; F1068-A1123 HydrophobicContact CB-CB 4.2Å; F1068-A1123 WeakPolarHBondContact O-CB 3.27Å
1069H89.4Confident89.4Confident38 Ų3838 Ų3818%0.17622%0.219CC..THydrogen-bonded Turntrans-61.3124.8-174-171.985.3000111.4P1067 N1071 D1124 A1125P1067-H1069 HydrophobicContact CG-CB 4.36Å; P1067-H1069 PolarHBondContact O-N 2.86Å; H1069-N1071 VanDerWaalsContact C-N 3.33Å; H1069-D1124 IonicContact CE1-OD1 2.86Å; H1069-D1124 IonicContact ND1-OD1 2.79Å; H1069-A1125 HydrophobicContact CB-CB 3.85Å; H1069-A1125 PolarHBondContact ND1-N 3.39Å
1070G90.8Very high89.2Confident17 Ų1737.8 Ų37.818%0.17522%0.218CC..THydrogen-bonded Turntrans83.21.1-177.600000114.9F1068 A1123F1068-G1070 PolarHBondContact O-N 2.89Å; G1070-A1123 PolarHBondContact N-O 3.13Å
1071N93.3Very high89.1Confident6 Ų635.5 Ų35.53%0.03221%0.208CC..  trans-68.4131.9174.7-72.8-0.3000110.6L1063 K1064 F1068 H1069 Y1073 I1122 A1123L1063-N1071 HydrophobicContact CD2-CB 3.73Å; K1064-N1071 WeakPolarHBondContact CB-OD1 3.41Å; K1064-N1071 PolarHBondContact N-ND2 3.29Å; K1064-N1071 PolarHBondContact N-OD1 3.17Å; K1064-N1071 PolarHBondContact O-ND2 3.08Å; F1068-N1071 VanDerWaalsContact O-CB 3.24Å; F1068-N1071 WeakPolarHBondContact O-CB 3.25Å; F1068-N1071 VanDerWaalsContact O-CG 3.29Å; F1068-N1071 PolarHBondContact O-N 3.4Å; H1069-N1071 VanDerWaalsContact C-N 3.33Å; N1071-Y1073 HydrophobicContact CB-CE2 3.84Å; N1071-Y1073 WeakPolarHBondContact CB-OH 3.34Å; N1071-Y1073 PolarHBondContact ND2-OH 2.86Å; N1071-I1122 CarbonylContact O-C 3.55Å; N1071-I1122 WeakPolarHBondContact O-CA 3.06Å; N1071-I1122 WeakPolarHBondContact O-CG1 3.42Å; N1071-A1123 HydrophobicContact CB-CB 4.47Å; N1071-A1123 PolarHBondContact O-N 2.94Å
1072I93.3Very high88.9Confident11 Ų1136.1 Ų36.16%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-96.7122.6177.5-60.7171.4000109I1059 L1075 T1095 C1120 I1122 F1139 W1142I1059-I1072 HydrophobicContact CG2-CB 4.1Å; I1072-L1075 HydrophobicContact CG2-CD1 3.93Å; I1072-L1075 HydrophobicContact CG2-CD2 4.42Å; I1072-L1075 HydrophobicContact CG2-CG 3.81Å; I1072-T1095 PolarHBondContact O-OG1 2.9Å; I1072-C1120 HydrophobicContact CG2-CB 4.08Å; I1072-I1122 HydrophobicContact CG1-CD1 4.23Å; I1072-I1122 HydrophobicContact CG1-CG1 4.29Å; I1072-F1139 HydrophobicContact CD1-CD2 4.12Å; I1072-W1142 HydrophobicContact CD1-CD2 4.16Å; I1072-W1142 HydrophobicContact CD1-CE3 4.38Å; I1072-W1142 HydrophobicContact CD1-CG 4.32Å
1073Y92.4Very high88.4Confident4 Ų435.7 Ų35.72%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-103.1-34-177.9-67.9-75.1000113.9M929 F936 L1036 L1063 N1071 T1095 L1096 T1121 A1123M929-Y1073 HydrophobicContact CE-CE1 4.02Å; M929-Y1073 HydrophobicContact CE-CE2 4.32Å; M929-Y1073 WeakPolarHBondContact CE-OH 3.46Å; M929-Y1073 HydrophobicContact SD-CE1 4.42Å; F936-Y1073 HydrophobicContact CE2-CD1 4.21Å; F936-Y1073 HydrophobicContact CE2-CG 4.13Å; L1036-Y1073 HydrophobicContact CD2-CD2 4.04Å; L1036-Y1073 HydrophobicContact CD2-CE2 4.29Å; L1063-Y1073 HydrophobicContact CD2-CE1 4.4Å; N1071-Y1073 HydrophobicContact CB-CE2 3.84Å; N1071-Y1073 WeakPolarHBondContact CB-OH 3.34Å; N1071-Y1073 PolarHBondContact ND2-OH 2.86Å; Y1073-T1095 WeakPolarHBondContact CA-OG1 3.14Å; Y1073-T1095 PolarHBondContact O-N 2.96Å; Y1073-T1095 PolarHBondContact O-OG1 3.29Å; Y1073-T1095 VanDerWaalsContact O-OG1 3.12Å; Y1073-L1096 HydrophobicContact CD1-CD1 3.98Å; Y1073-L1096 HydrophobicContact CD1-CD2 4.34Å; Y1073-L1096 HydrophobicContact CD1-CG 4.08Å; Y1073-L1096 HydrophobicContact CE1-CD1 4.22Å; Y1073-L1096 HydrophobicContact CE1-CD2 4.27Å; Y1073-L1096 HydrophobicContact CE1-CG 4.44Å; Y1073-T1121 PolarHBondContact N-O 3.28Å; Y1073-A1123 HydrophobicContact CE2-CB 3.67Å
1074T92.8Very high87.9Confident13 Ų1336 Ų368%0.0820%0.197CC..EExtended strand (participates in β ladder)trans-138.814917756.60000110.4P818 Y1093 V1094 C1120 T1121P818-T1074 HydrophobicContact CB-CG2 3.76Å; T1074-Y1093 CarbonylContact C-O 3.5Å; T1074-Y1093 VanDerWaalsContact CA-O 3.29Å; T1074-Y1093 WeakPolarHBondContact CA-O 3.24Å; T1074-V1094 HydrophobicContact CG2-CG1 4.03Å; T1074-V1094 HydrophobicContact CG2-CG2 4.37Å; T1074-C1120 CarbonylContact O-C 3.58Å; T1074-C1120 WeakPolarHBondContact O-CA 3.47Å; T1074-T1121 PolarHBondContact O-N 3.4Å; T1074-T1121 WeakPolarHBondContact OG1-CB 3.45Å; T1074-T1121 PolarHBondContact OG1-OG1 3.23Å
1075L93.6Very high87.1Confident1 Ų134.3 Ų34.31%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-138119.3174.1-82.5159.9000108L1056 I1059 I1072 L1091 Y1093 L1118 T1119 C1120 F1139 W1142L1056-L1075 HydrophobicContact CD2-CD1 3.55Å; I1059-L1075 HydrophobicContact CD1-CD1 3.32Å; I1072-L1075 HydrophobicContact CG2-CD1 3.93Å; I1072-L1075 HydrophobicContact CG2-CD2 4.42Å; I1072-L1075 HydrophobicContact CG2-CG 3.81Å; L1075-L1091 HydrophobicContact CB-CD2 4.47Å; L1075-Y1093 HydrophobicContact CB-CD1 4.13Å; L1075-Y1093 HydrophobicContact CB-CG 4.5Å; L1075-Y1093 HydrophobicContact CD1-CD1 4.09Å; L1075-Y1093 PolarHBondContact N-O 3.42Å; L1075-Y1093 PolarHBondContact O-N 3.01Å; L1075-L1118 HydrophobicContact CD2-CD1 4.2Å; L1075-L1118 HydrophobicContact CD2-CD2 3.93Å; L1075-L1118 HydrophobicContact CD2-CG 3.94Å; L1075-T1119 WeakPolarHBondContact CA-O 3.36Å; L1075-C1120 HydrophobicContact CD2-CB 3.51Å; L1075-C1120 HydrophobicContact CG-CB 4.18Å; L1075-F1139 HydrophobicContact CD2-CE2 3.62Å; L1075-F1139 HydrophobicContact CD2-CZ 3.74Å; L1075-W1142 HydrophobicContact CD1-CH2 3.72Å; L1075-W1142 HydrophobicContact CD1-CZ2 4.37Å; L1075-W1142 HydrophobicContact CD1-CZ3 4.13Å; L1075-W1142 HydrophobicContact CD2-CZ3 4.37Å
1076C91.1Very high86.6Confident50 Ų5034.6 Ų34.634%0.33820%0.204SC..EExtended strand (participates in β ladder)trans-130.8149.3172.862.50000110.1L1091 T1119C1076-L1091 WeakPolarHBondContact CA-O 3.39Å; C1076-T1119 PolarHBondContact N-O 3.35Å; C1076-T1119 PolarHBondContact O-N 3.14Å
1077G91Very high86.9Confident1 Ų134 Ų341%0.0120%0.204CC..EExtended strand (participates in β ladder)trans175170.4-177.200000114.7E1090 L1091 W1117G1077-E1090 CarbonylContact O-C 3.55Å; G1077-E1090 WeakPolarHBondContact O-CA 3.45Å; G1077-L1091 PolarHBondContact N-O 3.26Å; G1077-L1091 VanDerWaalsContact N-O 3.17Å; G1077-L1091 PolarHBondContact O-N 2.9Å; G1077-W1117 CarbonylContact C-O 3.58Å; G1077-W1117 WeakPolarHBondContact CA-O 3.38Å
1078Q91.3Very high87.2Confident47 Ų4733.4 Ų33.422%0.2220%0.197CC..EExtended strand (participates in β ladder)trans-110.3114.8172.3-71.1-179.8-12.600109.5L1088 Y1089 Y1116 W1117Q1078-L1088 HydrophobicContact CB-CD1 4.34Å; Q1078-Y1089 CarbonylContact C-O 3.4Å; Q1078-Y1089 WeakPolarHBondContact CA-O 3.43Å; Q1078-Y1116 WeakPolarHBondContact O-CA 3.49Å; Q1078-Y1116 WeakPolarHBondContact O-CB 3.21Å; Q1078-W1117 HydrophobicContact CG-CZ2 3.98Å; Q1078-W1117 PolarHBondContact N-O 3.49Å; Q1078-W1117 PolarHBondContact O-N 3.01Å; Q1078-W1117 VanDerWaalsContact O-N 3.14Å
1079I90.4Very high87.3Confident0 Ų033.8 Ų33.80%020%0.198CC..EExtended strand (participates in β ladder)trans-129.3159.5-172.766.7176.9000110.5F1043 L1047 F1052 F1081 Y1089 L1091 L1102F1043-I1079 HydrophobicContact CZ-CG2 3.93Å; L1047-I1079 HydrophobicContact CD1-CB 4.15Å; L1047-I1079 HydrophobicContact CD1-CD1 4.29Å; L1047-I1079 HydrophobicContact CD1-CG2 4.13Å; F1052-I1079 HydrophobicContact CD1-CD1 4.16Å; F1052-I1079 HydrophobicContact CE1-CD1 3.45Å; F1052-I1079 VanDerWaalsContact CE1-CD1 3.45Å; F1052-I1079 HydrophobicContact CZ-CD1 3.96Å; I1079-F1081 HydrophobicContact CD1-CE1 4.1Å; I1079-F1081 HydrophobicContact CD1-CE2 4.12Å; I1079-F1081 HydrophobicContact CD1-CZ 3.54Å; I1079-F1081 HydrophobicContact CG1-CE2 4.36Å; I1079-F1081 HydrophobicContact CG1-CZ 4.25Å; I1079-Y1089 PolarHBondContact N-O 3.26Å; I1079-Y1089 PolarHBondContact O-N 3.29Å; I1079-L1091 HydrophobicContact CD1-CB 4.35Å; I1079-L1102 HydrophobicContact CD1-CD1 4.13Å; I1079-L1102 HydrophobicContact CG1-CD1 4.46Å
1080A87.8Confident87.3Confident2 Ų236.2 Ų36.22%0.01721%0.21CC..  trans-133.1150.8170.100000109.5Q1046 L1047 Y1116Q1046-A1080 CarbonylContact C-O 3.46Å; Q1046-A1080 WeakPolarHBondContact CA-O 3.49Å; Q1046-A1080 HydrophobicContact CG-CB 4.09Å; L1047-A1080 PolarHBondContact N-O 3.09Å; A1080-Y1116 HydrophobicContact CB-CD1 4.26Å; A1080-Y1116 HydrophobicContact CB-CE1 3.43Å; A1080-Y1116 VanDerWaalsContact CB-CE1 3.43Å; A1080-Y1116 HydrophobicContact CB-CE2 4.47Å; A1080-Y1116 WeakPolarHBondContact CB-OH 3.46Å
1081F88.9Confident87.4Confident0 Ų035.5 Ų35.50%020%0.202CC..BIsolated β-bridgetrans-108.1149.2-178.5-59.9-76.9000111.9L1047 R1049 F1052 I1079 D1083 D1084 S1085 Y1089 L1102L1047-F1081 HydrophobicContact CB-CD1 4.15Å; L1047-F1081 HydrophobicContact CB-CE1 4.38Å; L1047-F1081 VanDerWaalsContact O-CA 3.22Å; L1047-F1081 WeakPolarHBondContact O-CA 3.1Å; L1047-F1081 WeakPolarHBondContact O-CD1 3.35Å; R1049-F1081 VanDerWaalsContact CA-CD1 3.42Å; R1049-F1081 HydrophobicContact CB-CB 4.33Å; R1049-F1081 HydrophobicContact CB-CD1 3.55Å; R1049-F1081 HydrophobicContact CB-CE1 3.96Å; R1049-F1081 HydrophobicContact CB-CG 3.95Å; R1049-F1081 HydrophobicContact CG-CD1 4.08Å; R1049-F1081 HydrophobicContact CG-CE1 4.07Å; R1049-F1081 HydrophobicContact CG-CG 4.35Å; R1049-F1081 HydrophobicContact CG-CZ 4.36Å; F1052-F1081 AromaticContact CD1-CE1 3.88Å; F1052-F1081 HydrophobicContact CD1-CE1 3.88Å; F1052-F1081 HydrophobicContact CD1-CZ 4.19Å; F1052-F1081 HydrophobicContact CG-CE1 4.5Å; I1079-F1081 HydrophobicContact CD1-CE1 4.1Å; I1079-F1081 HydrophobicContact CD1-CE2 4.12Å; I1079-F1081 HydrophobicContact CD1-CZ 3.54Å; I1079-F1081 HydrophobicContact CG1-CE2 4.36Å; I1079-F1081 HydrophobicContact CG1-CZ 4.25Å; F1081-D1083 VanDerWaalsContact C-N 3.27Å; F1081-D1083 WeakPolarHBondContact CB-OD1 3.48Å; F1081-D1083 PolarHBondContact O-N 3.22Å; F1081-D1084 CarbonylContact O-C 3.56Å; F1081-D1084 PolarHBondContact O-N 3.5Å; F1081-D1084 VanDerWaalsContact O-N 3.16Å; F1081-S1085 PolarHBondContact O-N 2.88Å; F1081-Y1089 AromaticContact CD2-CD2 3.65Å; F1081-Y1089 HydrophobicContact CD2-CD2 3.65Å; F1081-Y1089 AromaticContact CD2-CE2 3.83Å; F1081-Y1089 HydrophobicContact CD2-CE2 3.83Å; F1081-Y1089 HydrophobicContact CD2-CG 4.26Å; F1081-Y1089 AromaticContact CE2-CD2 3.95Å; F1081-Y1089 HydrophobicContact CE2-CD2 3.95Å; F1081-Y1089 HydrophobicContact CE2-CE2 4.43Å; F1081-Y1089 HydrophobicContact CE2-CG 4.1Å; F1081-L1102 HydrophobicContact CE2-CD1 3.98Å; F1081-L1102 HydrophobicContact CE2-CD2 3.6Å; F1081-L1102 HydrophobicContact CE2-CG 4.38Å; F1081-L1102 HydrophobicContact CZ-CD1 4.15Å; F1081-L1102 HydrophobicContact CZ-CD2 4.11Å
1082V83.2Confident87.2Confident81 Ų8137.2 Ų37.249%0.49121%0.211SC..G310 helixtrans-61.3-35.9-179.61790000111.9Q1046 L1047 D1084Q1046-V1082 HydrophobicContact CB-CG2 3.99Å; L1047-V1082 PolarHBondContact O-N 2.8Å; V1082-D1084 PolarHBondContact O-N 3.04Å
1083D80.7Confident87.2Confident99 Ų9936.9 Ų36.953%0.52921%0.209SC..G310 helixtrans-70.1-17.9178.862.4-30.6000113.5R1049 F1081R1049-D1083 IonicContact CZ-OD2 2.78Å; R1049-D1083 IonicContact NH1-OD1 3.25Å; R1049-D1083 IonicContact NH1-OD2 3.57Å; R1049-D1083 PolarHBondContact NH1-OD2 3.37Å; F1081-D1083 VanDerWaalsContact C-N 3.27Å; F1081-D1083 WeakPolarHBondContact CB-OD1 3.48Å; F1081-D1083 PolarHBondContact O-N 3.22Å
1084D80.3Confident87.2Confident37 Ų3736.7 Ų36.720%0.19821%0.208CC..G310 helixtrans-143.847.2-169.1-130.1-10.3000111.6F1081 V1082 S1086 K1087 Y1089F1081-D1084 CarbonylContact O-C 3.56Å; F1081-D1084 PolarHBondContact O-N 3.5Å; F1081-D1084 VanDerWaalsContact O-N 3.16Å; V1082-D1084 PolarHBondContact O-N 3.04Å; D1084-S1086 PolarHBondContact O-N 3Å; D1084-K1087 VanDerWaalsContact CG-NZ 3.28Å; D1084-K1087 PolarHBondContact O-N 2.58Å; D1084-K1087 WeakPolarHBondContact OD1-CE 3.41Å; D1084-K1087 IonicContact OD1-NZ 3.94Å; D1084-K1087 PolarHBondContact OD1-NZ 3.09Å; D1084-K1087 WeakPolarHBondContact OD2-CD 3.46Å; D1084-K1087 IonicContact OD2-NZ 2.93Å; D1084-K1087 PolarHBondContact OD2-NZ 3.02Å; D1084-Y1089 HydrophobicContact CB-CE2 4.34Å; D1084-Y1089 PolarHBondContact OD2-OH 2.9Å
1085S70.2Confident87.1Confident77 Ų7736 Ų3654%0.53820%0.204SC..THydrogen-bonded Turntrans-57.3-16.2-168.462.70000116.9F1081 K1087F1081-S1085 PolarHBondContact O-N 2.88Å; S1085-K1087 VanDerWaalsContact C-N 3.34Å
1086S72.9Confident87Confident102 Ų10236.3 Ų36.371%0.71321%0.206SC*.THydrogen-bonded Turntrans-83-10.2177.463.50000113.9D1084D1084-S1086 PolarHBondContact O-N 3Å
1087K83.5Confident86.8Confident63 Ų6334.4 Ų34.427%0.27419%0.193SC..  trans-115.4134.5-171.5-60.4175.1-170.4153.10110.6D1084 S1085 Y1089 Q1104D1084-K1087 VanDerWaalsContact CG-NZ 3.28Å; D1084-K1087 PolarHBondContact O-N 2.58Å; D1084-K1087 WeakPolarHBondContact OD1-CE 3.41Å; D1084-K1087 IonicContact OD1-NZ 3.94Å; D1084-K1087 PolarHBondContact OD1-NZ 3.09Å; D1084-K1087 WeakPolarHBondContact OD2-CD 3.46Å; D1084-K1087 IonicContact OD2-NZ 2.93Å; D1084-K1087 PolarHBondContact OD2-NZ 3.02Å; S1085-K1087 VanDerWaalsContact C-N 3.34Å; K1087-Y1089 HydrophobicContact CB-CD2 4.46Å; K1087-Y1089 HydrophobicContact CB-CE2 3.77Å; K1087-Q1104 HydrophobicContact CB-CG 4.31Å; K1087-Q1104 HydrophobicContact CD-CG 4.49Å
1088L86.1Confident86.5Confident45 Ų4535.7 Ų35.724%0.23621%0.207CC..EExtended strand (participates in β ladder)trans-94.1137.5169.5-172.370.3000108.6Q1078 V1105 Y1116Q1078-L1088 HydrophobicContact CB-CD1 4.34Å; L1088-V1105 HydrophobicContact CB-CB 4.3Å; L1088-V1105 HydrophobicContact CD2-CB 4.26Å; L1088-V1105 HydrophobicContact CD2-CG1 4.41Å; L1088-V1105 HydrophobicContact CD2-CG2 4.45Å; L1088-V1105 HydrophobicContact CG-CB 4.43Å; L1088-V1105 HydrophobicContact CG-CG2 4.48Å; L1088-V1105 PolarHBondContact O-N 3.31Å; L1088-Y1116 HydrophobicContact CD1-CD1 4.02Å; L1088-Y1116 HydrophobicContact CD1-CE1 3.87Å
1089Y90Very high86.2Confident15 Ų1534 Ų346%0.05920%0.199CC..EExtended strand (participates in β ladder)trans-118.3141.3177.7-65.3-89.7000110.6R1049 Q1078 I1079 F1081 D1084 K1087 L1102 Y1103 Q1104R1049-Y1089 VanDerWaalsContact NH2-CZ 3.26Å; R1049-Y1089 PolarHBondContact NH2-OH 3.39Å; R1049-Y1089 VanDerWaalsContact NH2-OH 3.09Å; Q1078-Y1089 CarbonylContact C-O 3.4Å; Q1078-Y1089 WeakPolarHBondContact CA-O 3.43Å; I1079-Y1089 PolarHBondContact N-O 3.26Å; I1079-Y1089 PolarHBondContact O-N 3.29Å; F1081-Y1089 AromaticContact CD2-CD2 3.65Å; F1081-Y1089 HydrophobicContact CD2-CD2 3.65Å; F1081-Y1089 AromaticContact CD2-CE2 3.83Å; F1081-Y1089 HydrophobicContact CD2-CE2 3.83Å; F1081-Y1089 HydrophobicContact CD2-CG 4.26Å; F1081-Y1089 AromaticContact CE2-CD2 3.95Å; F1081-Y1089 HydrophobicContact CE2-CD2 3.95Å; F1081-Y1089 HydrophobicContact CE2-CE2 4.43Å; F1081-Y1089 HydrophobicContact CE2-CG 4.1Å; D1084-Y1089 HydrophobicContact CB-CE2 4.34Å; D1084-Y1089 PolarHBondContact OD2-OH 2.9Å; K1087-Y1089 HydrophobicContact CB-CD2 4.46Å; K1087-Y1089 HydrophobicContact CB-CE2 3.77Å; Y1089-L1102 HydrophobicContact CD1-CD1 4.45Å; Y1089-L1102 HydrophobicContact CD1-CD2 3.79Å; Y1089-L1102 HydrophobicContact CD1-CG 3.81Å; Y1089-L1102 HydrophobicContact CE1-CD2 4.22Å; Y1089-L1102 HydrophobicContact CG-CD1 4.35Å; Y1089-L1102 HydrophobicContact CG-CD2 4.23Å; Y1089-L1102 HydrophobicContact CG-CG 4.2Å; Y1089-Y1103 CarbonylContact C-O 3.16Å; Y1089-Y1103 WeakPolarHBondContact CA-O 3.34Å; Y1089-Q1104 HydrophobicContact CD1-CB 4.29Å; Y1089-Q1104 HydrophobicContact CE1-CB 4.15Å
1090E90.1Very high86.1Confident90 Ų9036.1 Ų36.142%0.42121%0.21SC..EExtended strand (participates in β ladder)trans-103.3122170.5-172.3162.8-159.900108.5G1077 L1102 Y1103 V1105G1077-E1090 CarbonylContact O-C 3.55Å; G1077-E1090 WeakPolarHBondContact O-CA 3.45Å; E1090-L1102 WeakPolarHBondContact O-CA 3.49Å; E1090-Y1103 PolarHBondContact N-O 2.98Å; E1090-Y1103 PolarHBondContact O-N 2.88Å; E1090-V1105 HydrophobicContact CB-CG2 3.78Å
1091L92.2Very high86Confident2 Ų237.6 Ų37.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-95.6133.8178.7178.569.6000109.4F1052 L1056 L1075 C1076 G1077 I1079 L1102 L1118F1052-L1091 HydrophobicContact CE1-CD2 3.99Å; F1052-L1091 HydrophobicContact CZ-CD2 3.73Å; L1056-L1091 HydrophobicContact CD1-CD1 3.93Å; L1056-L1091 HydrophobicContact CD1-CD2 4.26Å; L1056-L1091 HydrophobicContact CD2-CD2 4.46Å; L1075-L1091 HydrophobicContact CB-CD2 4.47Å; C1076-L1091 WeakPolarHBondContact CA-O 3.39Å; G1077-L1091 PolarHBondContact N-O 3.26Å; G1077-L1091 VanDerWaalsContact N-O 3.17Å; G1077-L1091 PolarHBondContact O-N 2.9Å; I1079-L1091 HydrophobicContact CD1-CB 4.35Å; L1091-L1102 HydrophobicContact CB-CD1 4.43Å; L1091-L1102 HydrophobicContact CD1-CD1 4.25Å; L1091-L1118 HydrophobicContact CD2-CD1 3.79Å
1092D89.7Confident85.8Confident41 Ų4140 Ų4022%0.21923%0.232CC..EExtended strand (participates in β ladder)trans-133.5103.8166.1177.327.6000108.3C1101 Y1103D1092-C1101 HydrophobicContact CB-CB 4.3Å; D1092-C1101 PolarHBondContact N-O 3.38Å; D1092-C1101 PolarHBondContact O-N 2.92Å; D1092-Y1103 HydrophobicContact CB-CE2 4.47Å
1093Y92.7Very high85.9Confident4 Ų441.5 Ų41.52%0.01623%0.23CC..EExtended strand (participates in β ladder)trans-121.7132.2-178.7175.7-85.2000110.5L1056 I1059 T1074 L1075 T1095 I1099 N1100L1056-Y1093 HydrophobicContact CB-CD2 4.19Å; L1056-Y1093 HydrophobicContact CB-CE2 4.08Å; L1056-Y1093 HydrophobicContact CD2-CD1 4.32Å; L1056-Y1093 HydrophobicContact CD2-CD2 4.24Å; L1056-Y1093 HydrophobicContact CD2-CG 4.06Å; L1056-Y1093 WeakPolarHBondContact O-CE2 3.4Å; L1056-Y1093 PolarHBondContact O-OH 3.5Å; I1059-Y1093 HydrophobicContact CB-CE1 4.43Å; I1059-Y1093 HydrophobicContact CD1-CD1 4.33Å; I1059-Y1093 HydrophobicContact CD1-CE1 3.75Å; T1074-Y1093 CarbonylContact C-O 3.5Å; T1074-Y1093 VanDerWaalsContact CA-O 3.29Å; T1074-Y1093 WeakPolarHBondContact CA-O 3.24Å; L1075-Y1093 HydrophobicContact CB-CD1 4.13Å; L1075-Y1093 HydrophobicContact CB-CG 4.5Å; L1075-Y1093 HydrophobicContact CD1-CD1 4.09Å; L1075-Y1093 PolarHBondContact N-O 3.42Å; L1075-Y1093 PolarHBondContact O-N 3.01Å; Y1093-T1095 WeakPolarHBondContact CE1-OG1 3.34Å; Y1093-I1099 WeakPolarHBondContact CA-O 3.26Å; Y1093-N1100 HydrophobicContact CD2-CB 3.97Å; Y1093-N1100 HydrophobicContact CE2-CB 4.4Å
1094V91.9Very high86.1Confident0 Ų041.5 Ų41.50%023%0.227CC..EExtended strand (participates in β ladder)trans-134.2113.1-178.4-1690000109.1M926 T1074 L1096 S1097 G1098 I1099M926-V1094 HydrophobicContact CE-CB 4.25Å; M926-V1094 HydrophobicContact CE-CG1 3.18Å; M926-V1094 HydrophobicContact CG-CG1 4.08Å; M926-V1094 HydrophobicContact SD-CG1 3.29Å; M926-V1094 WeakPolarHBondContact SD-CG1 3.25Å; T1074-V1094 HydrophobicContact CG2-CG1 4.03Å; T1074-V1094 HydrophobicContact CG2-CG2 4.37Å; V1094-L1096 PolarHBondContact O-N 2.89Å; V1094-S1097 WeakPolarHBondContact CB-OG 3.25Å; V1094-S1097 PolarHBondContact O-OG 3.44Å; V1094-G1098 PolarHBondContact O-N 2.82Å; V1094-I1099 HydrophobicContact CB-CB 4.07Å; V1094-I1099 HydrophobicContact CB-CD1 4.4Å; V1094-I1099 HydrophobicContact CG2-CB 4.12Å; V1094-I1099 HydrophobicContact CG2-CD1 4.23Å; V1094-I1099 HydrophobicContact CG2-CG2 4.42Å; V1094-I1099 PolarHBondContact N-O 2.88Å; V1094-I1099 PolarHBondContact O-N 3.14Å
1095T92.6Very high86Confident0 Ų040.8 Ų40.80%022%0.224CC..THydrogen-bonded Turntrans-59.2-53.5-166.3-52.90000112.8I1059 F1060 L1063 I1072 Y1073 Y1093 S1097 G1098I1059-T1095 HydrophobicContact CB-CG2 4.43Å; I1059-T1095 HydrophobicContact CG2-CG2 3.82Å; F1060-T1095 HydrophobicContact CB-CG2 4.01Å; F1060-T1095 HydrophobicContact CD2-CG2 4.18Å; L1063-T1095 HydrophobicContact CD1-CG2 3.96Å; L1063-T1095 HydrophobicContact CD2-CG2 4.19Å; L1063-T1095 HydrophobicContact CG-CG2 4.21Å; I1072-T1095 PolarHBondContact O-OG1 2.9Å; Y1073-T1095 WeakPolarHBondContact CA-OG1 3.14Å; Y1073-T1095 PolarHBondContact O-N 2.96Å; Y1073-T1095 PolarHBondContact O-OG1 3.29Å; Y1073-T1095 VanDerWaalsContact O-OG1 3.12Å; Y1093-T1095 WeakPolarHBondContact CE1-OG1 3.34Å; T1095-S1097 PolarHBondContact O-N 3.4Å; T1095-G1098 PolarHBondContact O-N 2.78Å
1096L90.3Very high85.9Confident6 Ų644.3 Ų44.33%0.03124%0.237CC..THydrogen-bonded Turntrans-72.8-23.4-170.5-48.7170.7000114.2M926 M929 F936 M967 F1060 L1063 Y1073 V1094M926-L1096 HydrophobicContact CE-CB 3.37Å; M926-L1096 HydrophobicContact CE-CG 4.32Å; M926-L1096 HydrophobicContact SD-CB 3.83Å; M926-L1096 HydrophobicContact SD-CD1 4.12Å; M926-L1096 HydrophobicContact SD-CG 4.22Å; M929-L1096 HydrophobicContact CG-CD1 4.35Å; F936-L1096 HydrophobicContact CD2-CD1 4.41Å; M967-L1096 HydrophobicContact CE-CD2 4.3Å; F1060-L1096 HydrophobicContact CE2-CD2 4.44Å; L1063-L1096 HydrophobicContact CD1-CD2 3.74Å; Y1073-L1096 HydrophobicContact CD1-CD1 3.98Å; Y1073-L1096 HydrophobicContact CD1-CD2 4.34Å; Y1073-L1096 HydrophobicContact CD1-CG 4.08Å; Y1073-L1096 HydrophobicContact CE1-CD1 4.22Å; Y1073-L1096 HydrophobicContact CE1-CD2 4.27Å; Y1073-L1096 HydrophobicContact CE1-CG 4.44Å; V1094-L1096 PolarHBondContact O-N 2.89Å
1097S87Confident85.3Confident10 Ų1047.1 Ų47.17%0.0724%0.236CC..THydrogen-bonded Turntrans-97.8-19.7-177.357.80000110.1M926 V1094 T1095 I1099M926-S1097 VanDerWaalsContact CE-CA 3.48Å; M926-S1097 WeakPolarHBondContact CE-OG 3.31Å; V1094-S1097 WeakPolarHBondContact CB-OG 3.25Å; V1094-S1097 PolarHBondContact O-OG 3.44Å; T1095-S1097 PolarHBondContact O-N 3.4Å; S1097-I1099 PolarHBondContact O-N 2.97Å; S1097-I1099 VanDerWaalsContact OG-CD1 3.31Å; S1097-I1099 WeakPolarHBondContact OG-CD1 3.36Å; S1097-I1099 VanDerWaalsContact OG-CG1 3.25Å; S1097-I1099 WeakPolarHBondContact OG-CG1 3.44Å; S1097-I1099 PolarHBondContact OG-N 3.35Å
1098G85.5Confident83.8Confident29 Ų2954 Ų5430%0.29927%0.266SS..THydrogen-bonded Turntrans70.118.8-172.200000113.7K966 V1094 T1095 N1100K966-G1098 VanDerWaalsContact CE-CA 3.43Å; V1094-G1098 PolarHBondContact O-N 2.82Å; T1095-G1098 PolarHBondContact O-N 2.78Å; G1098-N1100 PolarHBondContact O-N 2.87Å
1099I84.6Confident82.1Confident10 Ų1056.1 Ų56.15%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-61.3122.9167.7-64.8163.2000106.7R821 Y1093 V1094 S1097 C1101R821-I1099 VanDerWaalsContact NE-CD1 3.32Å; Y1093-I1099 WeakPolarHBondContact CA-O 3.26Å; V1094-I1099 HydrophobicContact CB-CB 4.07Å; V1094-I1099 HydrophobicContact CB-CD1 4.4Å; V1094-I1099 HydrophobicContact CG2-CB 4.12Å; V1094-I1099 HydrophobicContact CG2-CD1 4.23Å; V1094-I1099 HydrophobicContact CG2-CG2 4.42Å; V1094-I1099 PolarHBondContact N-O 2.88Å; V1094-I1099 PolarHBondContact O-N 3.14Å; S1097-I1099 PolarHBondContact O-N 2.97Å; S1097-I1099 VanDerWaalsContact OG-CD1 3.31Å; S1097-I1099 WeakPolarHBondContact OG-CD1 3.36Å; S1097-I1099 VanDerWaalsContact OG-CG1 3.25Å; S1097-I1099 WeakPolarHBondContact OG-CG1 3.44Å; S1097-I1099 PolarHBondContact OG-N 3.35Å; I1099-C1101 HydrophobicContact CG2-CB 4.38Å
1100N88Confident80.2Confident46 Ų4661.8 Ų61.825%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-138.679.9175.9-174.2-3.9000107.2M1053 N1057 Y1093 G1098M1053-N1100 WeakPolarHBondContact CE-ND2 3.41Å; N1057-N1100 PolarHBondContact OD1-ND2 3.04Å; N1057-N1100 VanDerWaalsContact OD1-ND2 3.15Å; Y1093-N1100 HydrophobicContact CD2-CB 3.97Å; Y1093-N1100 HydrophobicContact CE2-CB 4.4Å; G1098-N1100 PolarHBondContact O-N 2.87Å
1101C84.9Confident78.2Confident33 Ų3368.2 Ų68.222%0.22334%0.336CS..EExtended strand (participates in β ladder)trans-103.1131.2-176-72.70000110.3D1092 I1099 Y1103D1092-C1101 HydrophobicContact CB-CB 4.3Å; D1092-C1101 PolarHBondContact N-O 3.38Å; D1092-C1101 PolarHBondContact O-N 2.92Å; I1099-C1101 HydrophobicContact CG2-CB 4.38Å; C1101-Y1103 HydrophobicContact CB-CD2 4.44Å; C1101-Y1103 HydrophobicContact CB-CE1 4.28Å; C1101-Y1103 HydrophobicContact CB-CE2 3.56Å; C1101-Y1103 VanDerWaalsContact CB-CZ 3.47Å; C1101-Y1103 VanDerWaalsContact CB-OH 3.31Å; C1101-Y1103 WeakPolarHBondContact CB-OH 3.44Å; C1101-Y1103 PolarHBondContact SG-OH 2.91Å; C1101-Y1103 VanDerWaalsContact SG-OH 3.33Å
1102L86.4Confident76.3Confident49 Ų4975.3 Ų75.326%0.25738%0.375SS..EExtended strand (participates in β ladder)trans-129.9106.1177.2-173.181.8000108.6I1079 F1081 Y1089 E1090 L1091I1079-L1102 HydrophobicContact CD1-CD1 4.13Å; I1079-L1102 HydrophobicContact CG1-CD1 4.46Å; F1081-L1102 HydrophobicContact CE2-CD1 3.98Å; F1081-L1102 HydrophobicContact CE2-CD2 3.6Å; F1081-L1102 HydrophobicContact CE2-CG 4.38Å; F1081-L1102 HydrophobicContact CZ-CD1 4.15Å; F1081-L1102 HydrophobicContact CZ-CD2 4.11Å; Y1089-L1102 HydrophobicContact CD1-CD1 4.45Å; Y1089-L1102 HydrophobicContact CD1-CD2 3.79Å; Y1089-L1102 HydrophobicContact CD1-CG 3.81Å; Y1089-L1102 HydrophobicContact CE1-CD2 4.22Å; Y1089-L1102 HydrophobicContact CG-CD1 4.35Å; Y1089-L1102 HydrophobicContact CG-CD2 4.23Å; Y1089-L1102 HydrophobicContact CG-CG 4.2Å; E1090-L1102 WeakPolarHBondContact O-CA 3.49Å; L1091-L1102 HydrophobicContact CB-CD1 4.43Å; L1091-L1102 HydrophobicContact CD1-CD1 4.25Å
1103Y85.4Confident74.6Confident113 Ų11380.3 Ų80.344%0.44340%0.401SS..EExtended strand (participates in β ladder)trans-102.6137.5-177.7-49.2-78.1000110.5Y1089 E1090 D1092 C1101Y1089-Y1103 CarbonylContact C-O 3.16Å; Y1089-Y1103 WeakPolarHBondContact CA-O 3.34Å; E1090-Y1103 PolarHBondContact N-O 2.98Å; E1090-Y1103 PolarHBondContact O-N 2.88Å; D1092-Y1103 HydrophobicContact CB-CE2 4.47Å; C1101-Y1103 HydrophobicContact CB-CD2 4.44Å; C1101-Y1103 HydrophobicContact CB-CE1 4.28Å; C1101-Y1103 HydrophobicContact CB-CE2 3.56Å; C1101-Y1103 VanDerWaalsContact CB-CZ 3.47Å; C1101-Y1103 VanDerWaalsContact CB-OH 3.31Å; C1101-Y1103 WeakPolarHBondContact CB-OH 3.44Å; C1101-Y1103 PolarHBondContact SG-OH 2.91Å; C1101-Y1103 VanDerWaalsContact SG-OH 3.33Å
1104Q83.6Confident73Confident99 Ų9986.6 Ų86.646%0.46343%0.429SS..EExtended strand (participates in β ladder)trans-78127.2170.2-176.4-177.5-20.700109.8K1087 Y1089K1087-Q1104 HydrophobicContact CB-CG 4.31Å; K1087-Q1104 HydrophobicContact CD-CG 4.49Å; Y1089-Q1104 HydrophobicContact CD1-CB 4.29Å; Y1089-Q1104 HydrophobicContact CE1-CB 4.15Å
1105V78.6Confident72.2Confident23 Ų2391.7 Ų91.714%0.13946%0.455CS..EExtended strand (participates in β ladder)trans-87.6119.2178.8-175.80000109.8L1088 E1090 K1107L1088-V1105 HydrophobicContact CB-CB 4.3Å; L1088-V1105 HydrophobicContact CD2-CB 4.26Å; L1088-V1105 HydrophobicContact CD2-CG1 4.41Å; L1088-V1105 HydrophobicContact CD2-CG2 4.45Å; L1088-V1105 HydrophobicContact CG-CB 4.43Å; L1088-V1105 HydrophobicContact CG-CG2 4.48Å; L1088-V1105 PolarHBondContact O-N 3.31Å; E1090-V1105 HydrophobicContact CB-CG2 3.78Å; V1105-K1107 HydrophobicContact CG1-CB 4.06Å; V1105-K1107 HydrophobicContact CG1-CD 4.25Å; V1105-K1107 HydrophobicContact CG1-CG 3.96Å; V1105-K1107 PolarHBondContact O-N 2.93Å
1106N67.6Low71.9Confident151 Ų15192.8 Ų92.881%0.80746%0.46SS*.  trans-80.233.5179.1-73-20.1000113.9
1107K60.3Low72Confident160 Ų16095.8 Ų95.870%0.69647%0.471SS*.  trans-86.8129.4172.5-78-177.3177.9176.30109.4V1105 S1109V1105-K1107 HydrophobicContact CG1-CB 4.06Å; V1105-K1107 HydrophobicContact CG1-CD 4.25Å; V1105-K1107 HydrophobicContact CG1-CG 3.96Å; V1105-K1107 PolarHBondContact O-N 2.93Å; K1107-S1109 PolarHBondContact O-N 2.95Å
1108K52.4Low72.2Confident207 Ų20795.3 Ų95.390%0.947%0.467SS*.  trans-63.1102.9163.7-71.8-178.1-179.7177.10106.9N1110K1108-N1110 PolarHBondContact O-N 3.17Å; K1108-N1110 VanDerWaalsContact O-N 3.07Å
1109S49.4Very low72.5Confident90 Ų9094.8 Ų94.863%0.62946%0.458SS*.  trans-59.7113.7176.758.90000109K1107 R1111K1107-S1109 PolarHBondContact O-N 2.95Å; S1109-R1111 PolarHBondContact O-N 3.07Å
1110N50.6Low72.9Confident134 Ų13494.3 Ų94.372%0.71746%0.456SS*.  trans-58.6120.4159.2-81.8-17.9000106.1K1108 N1112 D1113K1108-N1110 PolarHBondContact O-N 3.17Å; K1108-N1110 VanDerWaalsContact O-N 3.07Å; N1110-N1112 PolarHBondContact O-N 2.82Å; N1110-D1113 PolarHBondContact O-N 3.41Å
1111R48.9Very low73.1Confident225 Ų22592.5 Ų92.585%0.84945%0.446SS*.THydrogen-bonded Turntrans-57.6-7.3-169.7-75.4-176.4173.3-178.9-1.8115.3S1109S1109-R1111 PolarHBondContact O-N 3.07Å
1112N52Low73.5Confident152 Ų15291 Ų9181%0.81344%0.436SS*.THydrogen-bonded Turntrans-97.6-15.7-173.2-70.21000115.2N1110N1110-N1112 PolarHBondContact O-N 2.82Å
1113D54Low73.7Confident145 Ų14588.6 Ų88.678%0.77542%0.424SS*.  trans-102.679.5177.1-69.5-25.1000110.5N1110 L1115N1110-D1113 PolarHBondContact O-N 3.41Å; D1113-L1115 VanDerWaalsContact C-N 3.33Å
1114K58.1Low73.8Confident136 Ų13683.3 Ų83.359%0.59140%0.403SS*.  trans-92.228.5176.1-76.7-173.3177.4-179.10113.4N1044 Y1116N1044-K1114 WeakPolarHBondContact CA-O 3.44Å; N1044-K1114 PolarHBondContact OD1-O 2.85Å; K1114-Y1116 PolarHBondContact O-N 3.03Å
1115L75.6Confident73.6Confident108 Ų10879.7 Ų79.757%0.56539%0.39SS*.  trans-85.7105.3171.6-10485.2000109.5H1042 N1044 D1113H1042-L1115 HydrophobicContact CB-CD2 4.11Å; N1044-L1115 WeakPolarHBondContact OD1-CD1 3.48Å; D1113-L1115 VanDerWaalsContact C-N 3.33Å
1116Y87.8Confident73.3Confident23 Ų2379.4 Ų79.49%0.0939%0.389CS..EExtended strand (participates in β ladder)trans-79.6155.7162.5-53.3-62.7000109.1H1042 F1043 R1045 Q1046 Q1078 A1080 L1088 K1114H1042-Y1116 WeakPolarHBondContact CA-O 3.49Å; F1043-Y1116 HydrophobicContact CD2-CD2 4.19Å; F1043-Y1116 HydrophobicContact CD2-CG 4.45Å; F1043-Y1116 VanDerWaalsContact CE2-CB 3.42Å; F1043-Y1116 HydrophobicContact CE2-CD2 4.12Å; F1043-Y1116 HydrophobicContact CE2-CG 4.08Å; F1043-Y1116 PolarHBondContact N-O 3.02Å; F1043-Y1116 CarbonylContact O-C 3.58Å; F1043-Y1116 WeakPolarHBondContact O-CA 3.35Å; F1043-Y1116 WeakPolarHBondContact O-CB 3.23Å; F1043-Y1116 PolarHBondContact O-N 3.33Å; F1043-Y1116 VanDerWaalsContact O-O 3.1Å; R1045-Y1116 WeakPolarHBondContact O-CD2 3.36Å; Q1046-Y1116 HydrophobicContact CG-CE2 4.05Å; Q1046-Y1116 PolarHBondContact NE2-OH 3.11Å; Q1078-Y1116 WeakPolarHBondContact O-CA 3.49Å; Q1078-Y1116 WeakPolarHBondContact O-CB 3.21Å; A1080-Y1116 HydrophobicContact CB-CD1 4.26Å; A1080-Y1116 HydrophobicContact CB-CE1 3.43Å; A1080-Y1116 VanDerWaalsContact CB-CE1 3.43Å; A1080-Y1116 HydrophobicContact CB-CE2 4.47Å; A1080-Y1116 WeakPolarHBondContact CB-OH 3.46Å; L1088-Y1116 HydrophobicContact CD1-CD1 4.02Å; L1088-Y1116 HydrophobicContact CD1-CE1 3.87Å; K1114-Y1116 PolarHBondContact O-N 3.03Å
1117W91.1Very high73Confident69 Ų6978.8 Ų78.826%0.26139%0.386SS..EExtended strand (participates in β ladder)trans-149.1151.517963.2-88.8000111.4T1040 L1041 G1077 Q1078 T1119T1040-W1117 HydrophobicContact CG2-CB 4.43Å; T1040-W1117 HydrophobicContact CG2-CE3 4.35Å; L1041-W1117 CarbonylContact O-C 3.34Å; L1041-W1117 VanDerWaalsContact O-CA 3.23Å; L1041-W1117 WeakPolarHBondContact O-CA 2.94Å; G1077-W1117 CarbonylContact C-O 3.58Å; G1077-W1117 WeakPolarHBondContact CA-O 3.38Å; Q1078-W1117 HydrophobicContact CG-CZ2 3.98Å; Q1078-W1117 PolarHBondContact N-O 3.49Å; Q1078-W1117 PolarHBondContact O-N 3.01Å; Q1078-W1117 VanDerWaalsContact O-N 3.14Å; W1117-T1119 WeakPolarHBondContact CZ3-OG1 3.4Å
1118L92.5Very high72.9Confident0 Ų075.9 Ų75.90%038%0.378CS..EExtended strand (participates in β ladder)trans-140.6123.4178-170.869.6000108.9T1040 L1041 F1043 L1075 L1091 F1139 W1142 F1143T1040-L1118 WeakPolarHBondContact CA-O 3.48Å; L1041-L1118 PolarHBondContact N-O 3.33Å; L1041-L1118 PolarHBondContact O-N 3.49Å; F1043-L1118 HydrophobicContact CE1-CB 4.04Å; L1075-L1118 HydrophobicContact CD2-CD1 4.2Å; L1075-L1118 HydrophobicContact CD2-CD2 3.93Å; L1075-L1118 HydrophobicContact CD2-CG 3.94Å; L1091-L1118 HydrophobicContact CD2-CD1 3.79Å; L1118-F1139 HydrophobicContact CB-CZ 4.42Å; L1118-F1139 HydrophobicContact CD2-CE2 4.15Å; L1118-F1139 HydrophobicContact CD2-CZ 3.72Å; L1118-F1139 HydrophobicContact CG-CZ 3.9Å; L1118-W1142 HydrophobicContact CD2-CZ3 4.47Å; L1118-F1143 HydrophobicContact CD2-CD2 3.95Å; L1118-F1143 HydrophobicContact CD2-CE2 3.82Å; L1118-F1143 HydrophobicContact CD2-CG 4.44Å; L1118-F1143 HydrophobicContact CD2-CZ 4.18Å
1119T91.7Very high73Confident18 Ų1873.9 Ų73.911%0.1137%0.374CS..EExtended strand (participates in β ladder)trans-108.2127.8175.7-58.10000109.3N1038 I1039 T1040 L1075 C1076 W1117N1038-T1119 HydrophobicContact CB-CG2 4.16Å; I1039-T1119 CarbonylContact O-C 3.6Å; I1039-T1119 VanDerWaalsContact O-CA 3.26Å; I1039-T1119 WeakPolarHBondContact O-CA 3.48Å; T1040-T1119 WeakPolarHBondContact CG2-OG1 3.44Å; T1040-T1119 WeakPolarHBondContact OG1-CG2 3.45Å; T1040-T1119 PolarHBondContact OG1-OG1 3.23Å; L1075-T1119 WeakPolarHBondContact CA-O 3.36Å; C1076-T1119 PolarHBondContact N-O 3.35Å; C1076-T1119 PolarHBondContact O-N 3.14Å; W1117-T1119 WeakPolarHBondContact CZ3-OG1 3.4Å
1120C93Very high73.2Confident0 Ų077.8 Ų77.80%038%0.382CS..EExtended strand (participates in β ladder)trans-112.2149.4170.676.60000111.5N1038 I1039 I1072 T1074 L1075 F1139N1038-C1120 CarbonylContact C-O 3.57Å; N1038-C1120 VanDerWaalsContact CA-O 3.24Å; N1038-C1120 WeakPolarHBondContact CA-O 3.4Å; I1039-C1120 PolarHBondContact N-O 2.92Å; I1039-C1120 PolarHBondContact O-N 2.91Å; I1072-C1120 HydrophobicContact CG2-CB 4.08Å; T1074-C1120 CarbonylContact O-C 3.58Å; T1074-C1120 WeakPolarHBondContact O-CA 3.47Å; L1075-C1120 HydrophobicContact CD2-CB 3.51Å; L1075-C1120 HydrophobicContact CG-CB 4.18Å; C1120-F1139 HydrophobicContact CB-CD1 4.31Å; C1120-F1139 HydrophobicContact CB-CD2 4.12Å; C1120-F1139 HydrophobicContact CB-CE1 3.93Å; C1120-F1139 HydrophobicContact CB-CE2 3.76Å; C1120-F1139 HydrophobicContact CB-CG 4.41Å; C1120-F1139 HydrophobicContact CB-CZ 3.64Å; C1120-F1139 WeakPolarHBondContact SG-CD1 3.43Å; C1120-F1139 WeakPolarHBondContact SG-CG 3.38Å
1121T91.9Very high73.6Confident7 Ų773.9 Ų73.94%0.04336%0.361CS..EExtended strand (participates in β ladder)trans-100.5113.7162.9-56.20000108.8P818 L1036 R1037 N1038 Y1073 T1074P818-T1121 HydrophobicContact CB-CG2 4.49Å; P818-T1121 HydrophobicContact CG-CG2 4.11Å; L1036-T1121 HydrophobicContact CB-CG2 3.84Å; L1036-T1121 HydrophobicContact CD1-CG2 4.48Å; L1036-T1121 HydrophobicContact CD2-CG2 4.27Å; L1036-T1121 HydrophobicContact CG-CG2 4.42Å; R1037-T1121 WeakPolarHBondContact O-CA 3.34Å; N1038-T1121 WeakPolarHBondContact OD1-CB 3.35Å; N1038-T1121 PolarHBondContact OD1-OG1 3.43Å; Y1073-T1121 PolarHBondContact N-O 3.28Å; T1074-T1121 PolarHBondContact O-N 3.4Å; T1074-T1121 WeakPolarHBondContact OG1-CB 3.45Å; T1074-T1121 PolarHBondContact OG1-OG1 3.23Å
1122I92.3Very high74.4Confident1 Ų165.5 Ų65.51%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-114.3142.6-175.1-162.7164.8000110.9R1037 I1039 N1071 I1072 L1135R1037-I1122 HydrophobicContact CB-CG2 4.2Å; R1037-I1122 PolarHBondContact N-O 3.16Å; R1037-I1122 PolarHBondContact O-N 3.22Å; I1039-I1122 HydrophobicContact CD1-CG2 3.63Å; I1039-I1122 HydrophobicContact CG1-CG2 4.23Å; N1071-I1122 CarbonylContact O-C 3.55Å; N1071-I1122 WeakPolarHBondContact O-CA 3.06Å; N1071-I1122 WeakPolarHBondContact O-CG1 3.42Å; I1072-I1122 HydrophobicContact CG1-CD1 4.23Å; I1072-I1122 HydrophobicContact CG1-CG1 4.29Å; I1122-L1135 HydrophobicContact CD1-CD2 3.89Å; I1122-L1135 HydrophobicContact CG1-CD2 4.19Å; I1122-L1135 HydrophobicContact CG2-CB 4.37Å; I1122-L1135 HydrophobicContact CG2-CD1 4.28Å; I1122-L1135 HydrophobicContact CG2-CD2 4.38Å
1123A90.6Very high75.7Confident0 Ų063.4 Ų63.40%033%0.326CS..EExtended strand (participates in β ladder)trans-77.4127.6173.300000112P1034 R1035 L1036 F1068 G1070 N1071 Y1073P1034-A1123 HydrophobicContact CB-CB 3.91Å; P1034-A1123 HydrophobicContact CG-CB 4.01Å; R1035-A1123 CarbonylContact O-C 3.28Å; R1035-A1123 WeakPolarHBondContact O-CA 3.35Å; L1036-A1123 HydrophobicContact CD2-CB 4.41Å; F1068-A1123 HydrophobicContact CB-CB 4.2Å; F1068-A1123 WeakPolarHBondContact O-CB 3.27Å; G1070-A1123 PolarHBondContact N-O 3.13Å; N1071-A1123 HydrophobicContact CB-CB 4.47Å; N1071-A1123 PolarHBondContact O-N 2.94Å; Y1073-A1123 HydrophobicContact CE2-CB 3.67Å
1124D87.3Confident77.2Confident1 Ų160.7 Ų60.71%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-113.998.8175.9-176.213.8000110.1R1035 R1037 H1069 S1126 L1135R1035-D1124 HydrophobicContact CB-CB 4.33Å; R1035-D1124 PolarHBondContact N-O 2.91Å; R1035-D1124 PolarHBondContact O-N 2.75Å; R1037-D1124 HydrophobicContact CG-CB 4.24Å; R1037-D1124 IonicContact CZ-OD2 3.25Å; R1037-D1124 IonicContact NE-OD2 3.59Å; R1037-D1124 PolarHBondContact NE-OD2 3.27Å; R1037-D1124 IonicContact NH1-OD2 3.86Å; R1037-D1124 PolarHBondContact NH1-OD2 3.18Å; R1037-D1124 IonicContact NH2-OD2 3.41Å; R1037-D1124 PolarHBondContact NH2-OD2 3.19Å; H1069-D1124 IonicContact CE1-OD1 2.86Å; H1069-D1124 IonicContact ND1-OD1 2.79Å; D1124-S1126 VanDerWaalsContact C-N 3.29Å; D1124-S1126 WeakPolarHBondContact OD1-CA 3.46Å; D1124-S1126 WeakPolarHBondContact OD1-CB 3.39Å; D1124-S1126 PolarHBondContact OD1-N 3.37Å; D1124-S1126 PolarHBondContact OD1-OG 3.49Å; D1124-S1126 PolarHBondContact OD2-OG 3.09Å; D1124-L1135 HydrophobicContact CB-CD1 3.61Å
1125A79.4Confident78.7Confident23 Ų2354.2 Ų54.219%0.1928%0.28CS..  trans-83.61.1169.700000114.4P1067 H1069P1067-A1125 HydrophobicContact CB-CB 3.63Å; P1067-A1125 HydrophobicContact CG-CB 3.98Å; P1067-A1125 WeakPolarHBondContact O-CB 3.17Å; H1069-A1125 HydrophobicContact CB-CB 3.85Å; H1069-A1125 PolarHBondContact ND1-N 3.39Å
1126S73Confident79.3Confident17 Ų1751.7 Ų51.712%0.11927%0.267CS..  trans-73.8136.3179.774.50000110.4D1124 N1128D1124-S1126 VanDerWaalsContact C-N 3.29Å; D1124-S1126 WeakPolarHBondContact OD1-CA 3.46Å; D1124-S1126 WeakPolarHBondContact OD1-CB 3.39Å; D1124-S1126 PolarHBondContact OD1-N 3.37Å; D1124-S1126 PolarHBondContact OD1-OG 3.49Å; D1124-S1126 PolarHBondContact OD2-OG 3.09Å; S1126-N1128 PolarHBondContact O-N 3.17Å; S1126-N1128 PolarHBondContact OG-O 3.1Å
1127N61.4Low79.4Confident139 Ų13954.9 Ų54.974%0.74329%0.286SS*.SBendtrans-75.9-15.2174.2-75.5-17.5000112.1
1128N57.4Low79.3Confident98 Ų9854.8 Ų54.852%0.52429%0.29SS..  trans-100.7129-171.8-67.6-4.8000111.8S1126 E1130 N1131S1126-N1128 PolarHBondContact O-N 3.17Å; S1126-N1128 PolarHBondContact OG-O 3.1Å; N1128-E1130 PolarHBondContact O-N 3.43Å; N1128-N1131 PolarHBondContact O-N 2.86Å
1129M54.2Low79.3Confident165 Ų16554.9 Ų54.981%0.81329%0.291SS*.G310 helixtrans-64.3-23176.5-150.9174.9179.400112.2N1131M1129-N1131 VanDerWaalsContact C-N 3.31Å; M1129-N1131 PolarHBondContact O-N 3.35Å
1130E55.1Low79.2Confident173 Ų17354.3 Ų54.381%0.80829%0.288SS*.G310 helixtrans-70.8-13.6-177-66.4-175.9163.200115.1N1128 S1132N1128-E1130 PolarHBondContact O-N 3.43Å; E1130-S1132 PolarHBondContact O-N 3.42Å
1131N57.8Low78.9Confident51 Ų5157.9 Ų57.927%0.27331%0.307SS..G310 helixtrans-80.713.7-178.9-75.231.1000114.4N1128 M1129 N1133 E1134N1128-N1131 PolarHBondContact O-N 2.86Å; M1129-N1131 VanDerWaalsContact C-N 3.31Å; M1129-N1131 PolarHBondContact O-N 3.35Å; N1131-N1133 PolarHBondContact O-N 3.38Å; N1131-E1134 PolarHBondContact ND2-OE2 3.49Å; N1131-E1134 WeakPolarHBondContact O-CB 3.22Å; N1131-E1134 PolarHBondContact O-N 3.42Å; N1131-E1134 VanDerWaalsContact O-N 3.09Å
1132S65.9Low78.9Confident50 Ų5059.2 Ų59.235%0.3531%0.311SS..Hα-helixtrans-56.3-35.7-179.6590000113.3E1130 E1134 N1136E1130-S1132 PolarHBondContact O-N 3.42Å; S1132-E1134 PolarHBondContact O-N 2.86Å; S1132-N1136 PolarHBondContact O-N 2.93Å; S1132-N1136 PolarHBondContact O-ND2 3.18Å
1133N79.9Confident78.7Confident108 Ų10859.2 Ų59.258%0.57831%0.311SS*.Hα-helixtrans-69.5-31.2178.9-70.9-20.7000113.3N1131 N1137N1131-N1133 PolarHBondContact O-N 3.38Å; N1133-N1137 WeakPolarHBondContact O-CB 3.34Å; N1133-N1137 PolarHBondContact O-N 3.36Å; N1133-N1137 PolarHBondContact O-ND2 2.65Å; N1133-N1137 VanDerWaalsContact O-ND2 3.1Å
1134E86.4Confident78.4Confident87 Ų8763.4 Ų63.441%0.40733%0.327SS..Hα-helixtrans-65-49.9180-176.8-177.4-177.600111.1N1131 S1132 N1137 L1138N1131-E1134 PolarHBondContact ND2-OE2 3.49Å; N1131-E1134 WeakPolarHBondContact O-CB 3.22Å; N1131-E1134 PolarHBondContact O-N 3.42Å; N1131-E1134 VanDerWaalsContact O-N 3.09Å; S1132-E1134 PolarHBondContact O-N 2.86Å; E1134-N1137 WeakPolarHBondContact O-CB 3.4Å; E1134-N1137 PolarHBondContact O-N 3.16Å; E1134-L1138 HydrophobicContact CG-CD1 4.32Å; E1134-L1138 WeakPolarHBondContact O-CG 3.35Å; E1134-L1138 PolarHBondContact O-N 3.46Å
1135L88.5Confident78.1Confident0 Ų069.9 Ų69.90%036%0.357CS..Hα-helixtrans-67.2-38178.7-68169.1000112I1039 I1122 D1124 N1137 L1138 F1139I1039-L1135 HydrophobicContact CD1-CB 3.67Å; I1122-L1135 HydrophobicContact CD1-CD2 3.89Å; I1122-L1135 HydrophobicContact CG1-CD2 4.19Å; I1122-L1135 HydrophobicContact CG2-CB 4.37Å; I1122-L1135 HydrophobicContact CG2-CD1 4.28Å; I1122-L1135 HydrophobicContact CG2-CD2 4.38Å; D1124-L1135 HydrophobicContact CB-CD1 3.61Å; L1135-N1137 VanDerWaalsContact C-N 3.28Å; L1135-N1137 PolarHBondContact O-N 3Å; L1135-L1138 HydrophobicContact CD2-CD1 4.17Å; L1135-L1138 PolarHBondContact O-N 2.85Å; L1135-F1139 PolarHBondContact O-N 3.21Å
1136N88.9Confident78.2Confident55 Ų5568.9 Ų68.929%0.29435%0.349SS..Hα-helixtrans-58.2-44.3172.2-73.6-17.1000110.8I1039 S1132 A1140I1039-N1136 WeakPolarHBondContact CD1-OD1 3.22Å; I1039-N1136 WeakPolarHBondContact CG1-OD1 3.35Å; I1039-N1136 WeakPolarHBondContact CG2-OD1 3.33Å; S1132-N1136 PolarHBondContact O-N 2.93Å; S1132-N1136 PolarHBondContact O-ND2 3.18Å; N1136-A1140 WeakPolarHBondContact O-CB 3.32Å; N1136-A1140 PolarHBondContact O-N 2.94Å
1137N88.8Confident78.2Confident91 Ų9169.3 Ų69.349%0.48735%0.35SS..Hα-helixtrans-67.6-40.8177-73.5-28.5000112.2N1133 E1134 L1135 A1140 N1141N1133-N1137 WeakPolarHBondContact O-CB 3.34Å; N1133-N1137 PolarHBondContact O-N 3.36Å; N1133-N1137 PolarHBondContact O-ND2 2.65Å; N1133-N1137 VanDerWaalsContact O-ND2 3.1Å; E1134-N1137 WeakPolarHBondContact O-CB 3.4Å; E1134-N1137 PolarHBondContact O-N 3.16Å; L1135-N1137 VanDerWaalsContact C-N 3.28Å; L1135-N1137 PolarHBondContact O-N 3Å; N1137-A1140 PolarHBondContact O-N 3.38Å; N1137-N1141 WeakPolarHBondContact O-CB 3.39Å; N1137-N1141 PolarHBondContact O-N 3.3Å; N1137-N1141 PolarHBondContact O-ND2 2.88Å
1138L88.9Confident78.4Confident67 Ų6766.5 Ų66.535%0.35134%0.338SS..Hα-helixtrans-60.1-46.7175.7-76.2170.2000111.1E1134 L1135 N1141 W1142E1134-L1138 HydrophobicContact CG-CD1 4.32Å; E1134-L1138 WeakPolarHBondContact O-CG 3.35Å; E1134-L1138 PolarHBondContact O-N 3.46Å; L1135-L1138 HydrophobicContact CD2-CD1 4.17Å; L1135-L1138 PolarHBondContact O-N 2.85Å; L1138-N1141 PolarHBondContact O-N 3.42Å; L1138-W1142 WeakPolarHBondContact O-CB 3.45Å; L1138-W1142 PolarHBondContact O-N 2.82Å
1139F92.9Very high78.6Confident1 Ų170.6 Ų70.60%0.00435%0.351CS..Hα-helixtrans-67.2-43177.1-179.7-139.6000112.1I1039 L1041 I1072 L1075 L1118 C1120 L1135 N1141 W1142 F1143I1039-F1139 HydrophobicContact CB-CD1 4.12Å; I1039-F1139 HydrophobicContact CG2-CD1 3.73Å; I1039-F1139 HydrophobicContact CG2-CE1 4.42Å; L1041-F1139 HydrophobicContact CB-CE1 4.19Å; L1041-F1139 HydrophobicContact CD1-CD1 3.27Å; L1041-F1139 HydrophobicContact CD1-CE1 3.42Å; L1041-F1139 VanDerWaalsContact CD1-CE1 3.42Å; L1041-F1139 HydrophobicContact CD1-CG 3.89Å; L1041-F1139 HydrophobicContact CD1-CZ 4.11Å; L1041-F1139 HydrophobicContact CD2-CD1 4.41Å; L1041-F1139 HydrophobicContact CG-CD1 3.52Å; L1041-F1139 HydrophobicContact CG-CE1 3.51Å; I1072-F1139 HydrophobicContact CD1-CD2 4.12Å; L1075-F1139 HydrophobicContact CD2-CE2 3.62Å; L1075-F1139 HydrophobicContact CD2-CZ 3.74Å; L1118-F1139 HydrophobicContact CB-CZ 4.42Å; L1118-F1139 HydrophobicContact CD2-CE2 4.15Å; L1118-F1139 HydrophobicContact CD2-CZ 3.72Å; L1118-F1139 HydrophobicContact CG-CZ 3.9Å; C1120-F1139 HydrophobicContact CB-CD1 4.31Å; C1120-F1139 HydrophobicContact CB-CD2 4.12Å; C1120-F1139 HydrophobicContact CB-CE1 3.93Å; C1120-F1139 HydrophobicContact CB-CE2 3.76Å; C1120-F1139 HydrophobicContact CB-CG 4.41Å; C1120-F1139 HydrophobicContact CB-CZ 3.64Å; C1120-F1139 WeakPolarHBondContact SG-CD1 3.43Å; C1120-F1139 WeakPolarHBondContact SG-CG 3.38Å; L1135-F1139 PolarHBondContact O-N 3.21Å; F1139-N1141 VanDerWaalsContact C-N 3.32Å; F1139-N1141 PolarHBondContact O-N 3.35Å; F1139-W1142 AromaticContact CD2-CE3 3.94Å; F1139-W1142 HydrophobicContact CD2-CE3 3.94Å; F1139-W1142 AromaticContact CE2-CE3 3.78Å; F1139-W1142 HydrophobicContact CE2-CE3 3.78Å; F1139-W1142 AromaticContact CE2-CZ3 3.9Å; F1139-W1142 HydrophobicContact CE2-CZ3 3.9Å; F1139-W1142 PolarHBondContact O-N 2.81Å; F1139-F1143 WeakPolarHBondContact O-CB 3.48Å; F1139-F1143 PolarHBondContact O-N 2.78Å
1140A89.2Confident78.8Confident7 Ų766.9 Ų66.96%0.05833%0.331CS..Hα-helixtrans-62.2-38.8175.600000112.1L1041 N1136 N1137 F1143 R1144 F1235L1041-A1140 HydrophobicContact CD1-CB 4.18Å; N1136-A1140 WeakPolarHBondContact O-CB 3.32Å; N1136-A1140 PolarHBondContact O-N 2.94Å; N1137-A1140 PolarHBondContact O-N 3.38Å; A1140-F1143 PolarHBondContact O-N 3.19Å; A1140-R1144 VanDerWaalsContact O-CG 3.3Å; A1140-R1144 WeakPolarHBondContact O-CG 3.47Å; A1140-R1144 PolarHBondContact O-N 3.1Å; A1140-F1235 HydrophobicContact CB-CE2 3.78Å; A1140-F1235 HydrophobicContact CB-CZ 3.92Å
1141N88.2Confident79Confident74 Ų7464 Ų6440%0.39632%0.318SS..Hα-helixtrans-69-46.2177.3-72.3-19.4000111.7N1137 L1138 F1139 F1143 R1144 E1145N1137-N1141 WeakPolarHBondContact O-CB 3.39Å; N1137-N1141 PolarHBondContact O-N 3.3Å; N1137-N1141 PolarHBondContact O-ND2 2.88Å; L1138-N1141 PolarHBondContact O-N 3.42Å; F1139-N1141 VanDerWaalsContact C-N 3.32Å; F1139-N1141 PolarHBondContact O-N 3.35Å; N1141-F1143 PolarHBondContact O-N 2.94Å; N1141-R1144 WeakPolarHBondContact O-CB 3.18Å; N1141-R1144 PolarHBondContact O-N 3.41Å; N1141-R1144 VanDerWaalsContact O-N 3.17Å; N1141-R1144 PolarHBondContact OD1-NH1 3.19Å; N1141-E1145 WeakPolarHBondContact O-CG 3.33Å; N1141-E1145 PolarHBondContact O-N 2.9Å
1142W90.1Very high79.2Confident36 Ų3670 Ų7014%0.13634%0.341CS..Hα-helixtrans-55.2-44.4171.3175.284.8000110.6A1055 L1056 I1059 I1072 L1075 L1118 L1138 F1139 R1144 E1145 T1146A1055-W1142 HydrophobicContact CB-CZ2 4.15Å; L1056-W1142 HydrophobicContact CD2-CH2 4.01Å; L1056-W1142 HydrophobicContact CD2-CZ2 4.49Å; I1059-W1142 HydrophobicContact CD1-CH2 4.04Å; I1059-W1142 HydrophobicContact CD1-CZ2 3.52Å; I1059-W1142 HydrophobicContact CG1-CZ2 3.77Å; I1072-W1142 HydrophobicContact CD1-CD2 4.16Å; I1072-W1142 HydrophobicContact CD1-CE3 4.38Å; I1072-W1142 HydrophobicContact CD1-CG 4.32Å; L1075-W1142 HydrophobicContact CD1-CH2 3.72Å; L1075-W1142 HydrophobicContact CD1-CZ2 4.37Å; L1075-W1142 HydrophobicContact CD1-CZ3 4.13Å; L1075-W1142 HydrophobicContact CD2-CZ3 4.37Å; L1118-W1142 HydrophobicContact CD2-CZ3 4.47Å; L1138-W1142 WeakPolarHBondContact O-CB 3.45Å; L1138-W1142 PolarHBondContact O-N 2.82Å; F1139-W1142 AromaticContact CD2-CE3 3.94Å; F1139-W1142 HydrophobicContact CD2-CE3 3.94Å; F1139-W1142 AromaticContact CE2-CE3 3.78Å; F1139-W1142 HydrophobicContact CE2-CE3 3.78Å; F1139-W1142 AromaticContact CE2-CZ3 3.9Å; F1139-W1142 HydrophobicContact CE2-CZ3 3.9Å; F1139-W1142 PolarHBondContact O-N 2.81Å; W1142-R1144 PolarHBondContact O-N 2.83Å; W1142-E1145 WeakPolarHBondContact O-CB 3.46Å; W1142-E1145 PolarHBondContact O-N 3.4Å; W1142-E1145 VanDerWaalsContact O-N 3.1Å; W1142-T1146 HydrophobicContact CD2-CG2 4.43Å; W1142-T1146 HydrophobicContact CE3-CG2 4.38Å; W1142-T1146 HydrophobicContact CH2-CG2 4.02Å; W1142-T1146 HydrophobicContact CZ2-CG2 4.06Å; W1142-T1146 HydrophobicContact CZ3-CG2 4.18Å; W1142-T1146 WeakPolarHBondContact O-CG2 3.18Å; W1142-T1146 PolarHBondContact O-N 3.21Å
1143F88.2Confident79.3Confident0 Ų072 Ų720%035%0.353CS..Hα-helixtrans-66.2-36.8179.8-166.4-143.5000112.3L1041 F1043 L1047 F1052 L1118 F1139 A1140 N1141 E1145 T1146 L1234 F1235L1041-F1143 HydrophobicContact CD1-CB 4.49Å; L1041-F1143 HydrophobicContact CD1-CD1 4.3Å; F1043-F1143 AromaticContact CD1-CE1 3.57Å; F1043-F1143 HydrophobicContact CD1-CE1 3.57Å; F1043-F1143 HydrophobicContact CD1-CZ 4.07Å; F1043-F1143 HydrophobicContact CD2-CE1 4.31Å; F1043-F1143 HydrophobicContact CD2-CZ 4.37Å; F1043-F1143 AromaticContact CE1-CE1 3.52Å; F1043-F1143 HydrophobicContact CE1-CE1 3.52Å; F1043-F1143 AromaticContact CE1-CZ 3.58Å; F1043-F1143 HydrophobicContact CE1-CZ 3.58Å; F1043-F1143 HydrophobicContact CE2-CE1 4.27Å; F1043-F1143 AromaticContact CE2-CZ 3.91Å; F1043-F1143 HydrophobicContact CE2-CZ 3.91Å; F1043-F1143 AromaticContact CG-CE1 3.98Å; F1043-F1143 HydrophobicContact CG-CE1 3.98Å; F1043-F1143 HydrophobicContact CG-CZ 4.44Å; F1043-F1143 AromaticContact CZ-CE1 3.89Å; F1043-F1143 HydrophobicContact CZ-CE1 3.89Å; F1043-F1143 AromaticContact CZ-CZ 3.49Å; F1043-F1143 HydrophobicContact CZ-CZ 3.49Å; F1043-F1143 VanDerWaalsContact CZ-CZ 3.49Å; L1047-F1143 HydrophobicContact CD1-CE2 3.83Å; L1047-F1143 HydrophobicContact CD1-CZ 3.9Å; L1047-F1143 HydrophobicContact CD2-CE2 3.96Å; L1047-F1143 HydrophobicContact CD2-CZ 3.72Å; L1047-F1143 HydrophobicContact CG-CZ 4.42Å; F1052-F1143 HydrophobicContact CD2-CE2 4.24Å; F1052-F1143 HydrophobicContact CE2-CD2 4.33Å; F1052-F1143 AromaticContact CE2-CE2 3.83Å; F1052-F1143 HydrophobicContact CE2-CE2 3.83Å; L1118-F1143 HydrophobicContact CD2-CD2 3.95Å; L1118-F1143 HydrophobicContact CD2-CE2 3.82Å; L1118-F1143 HydrophobicContact CD2-CG 4.44Å; L1118-F1143 HydrophobicContact CD2-CZ 4.18Å; F1139-F1143 WeakPolarHBondContact O-CB 3.48Å; F1139-F1143 PolarHBondContact O-N 2.78Å; A1140-F1143 PolarHBondContact O-N 3.19Å; N1141-F1143 PolarHBondContact O-N 2.94Å; F1143-E1145 VanDerWaalsContact C-N 3.29Å; F1143-E1145 PolarHBondContact O-N 2.71Å; F1143-T1146 HydrophobicContact CD2-CG2 4.43Å; F1143-T1146 WeakPolarHBondContact O-CB 3.3Å; F1143-T1146 PolarHBondContact O-N 3.25Å; F1143-T1146 VanDerWaalsContact O-N 3.17Å; F1143-T1146 PolarHBondContact O-OG1 2.86Å; F1143-L1234 HydrophobicContact CD1-CD2 3.16Å; F1143-L1234 HydrophobicContact CE1-CD2 3.1Å; F1143-L1234 HydrophobicContact CE1-CG 4.21Å; F1143-L1234 HydrophobicContact CG-CD2 3.93Å; F1143-L1234 HydrophobicContact CZ-CD2 3.84Å; F1143-F1235 HydrophobicContact CB-CZ 4.49Å; F1143-F1235 AromaticContact CD1-CE1 3.89Å; F1143-F1235 HydrophobicContact CD1-CE1 3.89Å; F1143-F1235 AromaticContact CD1-CZ 3.71Å; F1143-F1235 HydrophobicContact CD1-CZ 3.71Å; F1143-F1235 HydrophobicContact CE1-CE1 4.31Å
1144R85.3Confident79.2Confident89 Ų8974 Ų7434%0.33635%0.352SS..Hα-helixtrans-61.9-34171.6-74.6174.8-175.8120.2-0.1112.9A1140 N1141 W1142 T1146 I1147 D1233 F1235A1140-R1144 VanDerWaalsContact O-CG 3.3Å; A1140-R1144 WeakPolarHBondContact O-CG 3.47Å; A1140-R1144 PolarHBondContact O-N 3.1Å; N1141-R1144 WeakPolarHBondContact O-CB 3.18Å; N1141-R1144 PolarHBondContact O-N 3.41Å; N1141-R1144 VanDerWaalsContact O-N 3.17Å; N1141-R1144 PolarHBondContact OD1-NH1 3.19Å; W1142-R1144 PolarHBondContact O-N 2.83Å; R1144-T1146 PolarHBondContact O-N 3.41Å; R1144-I1147 PolarHBondContact O-N 3.4Å; R1144-D1233 IonicContact CZ-OD2 3.5Å; R1144-D1233 IonicContact NE-OD1 3.96Å; R1144-D1233 PolarHBondContact NE-OD1 3.07Å; R1144-D1233 IonicContact NE-OD2 2.66Å; R1144-D1233 PolarHBondContact NE-OD2 3.35Å; R1144-D1233 IonicContact NH2-OD2 3.5Å; R1144-D1233 PolarHBondContact NH2-OD2 3.17Å; R1144-F1235 HydrophobicContact CG-CE2 4.19Å
1145E81.5Confident78.9Confident137 Ų13778.4 Ų78.464%0.6437%0.373SS*.Hα-helixtrans-69.6-19.8177.2-69.4179.5173.900113.3N1141 W1142 F1143 I1147N1141-E1145 WeakPolarHBondContact O-CG 3.33Å; N1141-E1145 PolarHBondContact O-N 2.9Å; W1142-E1145 WeakPolarHBondContact O-CB 3.46Å; W1142-E1145 PolarHBondContact O-N 3.4Å; W1142-E1145 VanDerWaalsContact O-N 3.1Å; F1143-E1145 VanDerWaalsContact C-N 3.29Å; F1143-E1145 PolarHBondContact O-N 2.71Å; E1145-I1147 PolarHBondContact O-N 2.98Å
1146T79.9Confident78.7Confident1 Ų182.5 Ų82.51%0.00639%0.394CS..THydrogen-bonded Turntrans-76.5-9.717775.40000114.1P1051 F1052 A1055 W1142 F1143 R1144P1051-T1146 WeakPolarHBondContact CB-O 3.45Å; P1051-T1146 WeakPolarHBondContact CG-O 3.19Å; F1052-T1146 HydrophobicContact CD2-CG2 4.25Å; A1055-T1146 HydrophobicContact CB-CG2 3.48Å; A1055-T1146 VanDerWaalsContact CB-CG2 3.48Å; W1142-T1146 HydrophobicContact CD2-CG2 4.43Å; W1142-T1146 HydrophobicContact CE3-CG2 4.38Å; W1142-T1146 HydrophobicContact CH2-CG2 4.02Å; W1142-T1146 HydrophobicContact CZ2-CG2 4.06Å; W1142-T1146 HydrophobicContact CZ3-CG2 4.18Å; W1142-T1146 WeakPolarHBondContact O-CG2 3.18Å; W1142-T1146 PolarHBondContact O-N 3.21Å; F1143-T1146 HydrophobicContact CD2-CG2 4.43Å; F1143-T1146 WeakPolarHBondContact O-CB 3.3Å; F1143-T1146 PolarHBondContact O-N 3.25Å; F1143-T1146 VanDerWaalsContact O-N 3.17Å; F1143-T1146 PolarHBondContact O-OG1 2.86Å; R1144-T1146 PolarHBondContact O-N 3.41Å
1147I74Confident78.5Confident27 Ų2782 Ų8214%0.13839%0.391CS..SBendtrans-94.7152.9179.7-52.9164000108.5R1144 E1145 K1149 L1234R1144-I1147 PolarHBondContact O-N 3.4Å; E1145-I1147 PolarHBondContact O-N 2.98Å; I1147-K1149 PolarHBondContact O-N 2.98Å; I1147-L1234 HydrophobicContact CD1-CB 3.74Å; I1147-L1234 HydrophobicContact CD1-CD1 3.61Å; I1147-L1234 HydrophobicContact CD1-CD2 3.68Å; I1147-L1234 HydrophobicContact CD1-CG 3.85Å
1148T66.3Low78.3Confident80 Ų8086.2 Ų86.249%0.49140%0.4SS..  trans-50.2113.7167.235.10000110.5D1048 H1150D1048-T1148 WeakPolarHBondContact OD2-CB 3.46Å; D1048-T1148 WeakPolarHBondContact OD2-CG2 3.44Å; D1048-T1148 PolarHBondContact OD2-OG1 2.71Å; T1148-H1150 PolarHBondContact O-N 3.14Å; T1148-H1150 PolarHBondContact O-ND1 3.43Å
1149K59.7Low78Confident183 Ų18388.8 Ų88.880%0.79641%0.405SS*.  trans-52.6113.8179.8-72.5-176.3179.1179.20109I1147I1147-K1149 PolarHBondContact O-N 2.98Å
1150H59.9Low77.4Confident88 Ų8893.4 Ų93.441%0.40744%0.438SS..  trans-60.2139.7178.2-59-40.5000110T1148 K1152 V1231T1148-H1150 PolarHBondContact O-N 3.14Å; T1148-H1150 PolarHBondContact O-ND1 3.43Å; H1150-K1152 PolarHBondContact O-N 2.82Å; H1150-V1231 VanDerWaalsContact CE1-CG1 3.43Å; H1150-V1231 WeakPolarHBondContact CE1-CG1 3.43Å
1151E58.8Low77.1Confident112 Ų11297.2 Ų97.252%0.52346%0.457SS..  trans-61.3111.9176.2-61.9-170.4176.100109.2R1222 L1226E1151-R1222 IonicContact OE1-NH2 2.73Å; E1151-R1222 IonicContact OE2-CZ 3.82Å; E1151-R1222 VanDerWaalsContact OE2-CZ 3.25Å; E1151-R1222 IonicContact OE2-NE 2.68Å; E1151-R1222 PolarHBondContact OE2-NE 2.73Å; E1151-R1222 IonicContact OE2-NH2 3.56Å; E1151-R1222 PolarHBondContact OE2-NH2 2.77Å; E1151-L1226 HydrophobicContact CB-CD1 4.2Å; E1151-L1226 HydrophobicContact CB-CD2 4.06Å; E1151-L1226 WeakPolarHBondContact O-CD1 3.04Å
1152K62.1Low76.9Confident177 Ų17794.5 Ų94.577%0.7744%0.443SS*.PPolyproline II helixtrans-70144.4172.1-69.1-176179-178.10109.2H1150 R1154H1150-K1152 PolarHBondContact O-N 2.82Å; K1152-R1154 PolarHBondContact O-N 2.75Å
1153P68.8Low76.7Confident91 Ų9196.2 Ų96.259%0.59146%0.457SS*.PPolyproline II helixtrans-52.6126.5167.7-23.233000109.3N1223P1153-N1223 WeakPolarHBondContact CA-OD1 3.44Å
1154R76.5Confident76.4Confident151 Ų151103.8 Ų103.857%0.5749%0.492SS*.PPolyproline II helixtrans-80140.3174.8-81.7-174.5175.5-176.8-3.5109K1152 I1219 N1223K1152-R1154 PolarHBondContact O-N 2.75Å; R1154-I1219 HydrophobicContact CB-CG1 4.47Å; R1154-I1219 HydrophobicContact CB-CG2 3.89Å; R1154-I1219 VanDerWaalsContact O-CG2 3.31Å; R1154-I1219 WeakPolarHBondContact O-CG2 3.46Å; R1154-N1223 PolarHBondContact N-OD1 3.15Å; R1154-N1223 PolarHBondContact O-ND2 2.83Å
1155E79.9Confident76.3Confident180 Ų180106 Ų10684%0.84151%0.506SS*.PPolyproline II helixtrans-67.3148.8169.9-63.9-176.3-177.700109.8I1157E1155-I1157 PolarHBondContact O-N 2.78Å
1156L84.4Confident76.4Confident85 Ų85101 Ų10145%0.44548%0.484SS..PPolyproline II helixtrans-66.8131.9176.7-62.9177000109.1R1158 N1216 I1219L1156-R1158 PolarHBondContact O-N 2.93Å; L1156-N1216 WeakPolarHBondContact CA-OD1 3.47Å; L1156-N1216 HydrophobicContact CD2-CB 3.9Å; L1156-I1219 HydrophobicContact CD2-CB 4.38Å; L1156-I1219 HydrophobicContact CD2-CG2 3.97Å
1157I85Confident76.6Confident44 Ų44103.6 Ų103.623%0.22650%0.496CS..PPolyproline II helixtrans-66.7127.2179.4-61.9170.6000108.1E1155 D1161 L1162 I1212 E1215 N1216 I1219E1155-I1157 PolarHBondContact O-N 2.78Å; I1157-D1161 HydrophobicContact CG2-CB 4.3Å; I1157-L1162 HydrophobicContact CG2-CD2 4.04Å; I1157-L1162 HydrophobicContact CG2-CG 4.46Å; I1157-I1212 WeakPolarHBondContact O-CG2 3.14Å; I1157-E1215 HydrophobicContact CD1-CB 3.97Å; I1157-N1216 PolarHBondContact N-OD1 3.02Å; I1157-N1216 PolarHBondContact O-ND2 3.01Å; I1157-I1219 HydrophobicContact CD1-CD1 3.75Å; I1157-I1219 HydrophobicContact CG1-CD1 3.71Å
1158R85.1Confident77.1Confident181 Ų181106.7 Ų106.768%0.68351%0.513SS*.PPolyproline II helixtrans-98.5160.2170.9-58.9176.1-178.5-113.4-0.5109.2L1156 S1160 D1161L1156-R1158 PolarHBondContact O-N 2.93Å; R1158-S1160 WeakPolarHBondContact CB-OG 3.41Å; R1158-S1160 PolarHBondContact O-N 3.15Å; R1158-S1160 VanDerWaalsContact O-N 3.1Å; R1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; R1158-D1161 PolarHBondContact N-OD2 3.35Å; R1158-D1161 WeakPolarHBondContact O-CB 3.48Å; R1158-D1161 PolarHBondContact O-N 2.67Å
1159R81.3Confident78Confident120 Ų120108.8 Ų108.845%0.45352%0.515SS..G310 helixtrans-56.7-28.2174.8-171.8173.8179.6164.93.9113.2D1161 N1205 I1208 I1212R1159-D1161 PolarHBondContact O-N 3.07Å; R1159-N1205 PolarHBondContact NH2-OD1 3.41Å; R1159-I1208 HydrophobicContact CG-CG2 4.39Å; R1159-I1212 HydrophobicContact CB-CD1 3.96Å; R1159-I1212 HydrophobicContact CG-CD1 4.47Å
1160S80.5Confident79.4Confident98 Ų98100.3 Ų100.369%0.68548%0.478SS*.G310 helixtrans-68.2-18.5174.549.70000114.5R1158R1158-S1160 WeakPolarHBondContact CB-OG 3.41Å; R1158-S1160 PolarHBondContact O-N 3.15Å; R1158-S1160 VanDerWaalsContact O-N 3.1Å
1161D83.4Confident80.5Confident88 Ų8898 Ų9847%0.47147%0.467SS..G310 helixtrans-96.7-7.5-171.4-47.7-23.3000111.8I1157 R1158 R1159I1157-D1161 HydrophobicContact CG2-CB 4.3Å; R1158-D1161 WeakPolarHBondContact CB-OD2 3.4Å; R1158-D1161 PolarHBondContact N-OD2 3.35Å; R1158-D1161 WeakPolarHBondContact O-CB 3.48Å; R1158-D1161 PolarHBondContact O-N 2.67Å; R1159-D1161 PolarHBondContact O-N 3.07Å
1162L84.8Confident81.8Confident17 Ų1799.3 Ų99.39%0.08947%0.474CS..  trans-76.6127.1177.4-65.6175.7000110.4I1157 D1166 F1167 I1170 I1208 Y1211 I1212I1157-L1162 HydrophobicContact CG2-CD2 4.04Å; I1157-L1162 HydrophobicContact CG2-CG 4.46Å; L1162-D1166 HydrophobicContact CB-CB 4.33Å; L1162-D1166 HydrophobicContact CD2-CB 4.06Å; L1162-F1167 HydrophobicContact CB-CD2 4.26Å; L1162-F1167 HydrophobicContact CB-CE2 3.7Å; L1162-F1167 HydrophobicContact CB-CZ 4.03Å; L1162-F1167 HydrophobicContact CD1-CZ 4.3Å; L1162-F1167 WeakPolarHBondContact O-CE2 3.15Å; L1162-I1170 HydrophobicContact CD1-CD1 4.43Å; L1162-I1208 HydrophobicContact CD1-CG2 3.72Å; L1162-Y1211 HydrophobicContact CD2-CD1 4.14Å; L1162-Y1211 HydrophobicContact CD2-CE1 3.78Å; L1162-I1212 HydrophobicContact CD1-CD1 3.93Å; L1162-I1212 HydrophobicContact CD1-CG1 4.02Å
1163T84.7Confident82.9Confident72 Ų7299.8 Ų99.844%0.44247%0.471SS..  trans-80.7164175.864.90000111.5E1165 D1166 F1167T1163-E1165 PolarHBondContact O-N 3.37Å; T1163-D1166 WeakPolarHBondContact CB-OD2 3.45Å; T1163-D1166 PolarHBondContact N-OD2 3.2Å; T1163-D1166 WeakPolarHBondContact O-CB 3.43Å; T1163-D1166 PolarHBondContact O-N 3.04Å; T1163-D1166 VanDerWaalsContact OG1-CG 3.24Å; T1163-D1166 PolarHBondContact OG1-N 3.22Å; T1163-D1166 PolarHBondContact OG1-OD2 3.02Å; T1163-F1167 WeakPolarHBondContact O-CD2 3.45Å; T1163-F1167 PolarHBondContact O-N 3.38Å
1164E82.4Confident83.8Confident158 Ų15896.3 Ų96.374%0.73845%0.446SS*.Hα-helixtrans-58.1-31.4174.7-163.5173.5-17200112.2F1167 N1168E1164-F1167 PolarHBondContact O-N 3.11Å; E1164-N1168 WeakPolarHBondContact O-CB 3.2Å; E1164-N1168 VanDerWaalsContact O-CG 3.23Å; E1164-N1168 PolarHBondContact O-N 3.42Å; E1164-N1168 PolarHBondContact O-ND2 3.39Å
1165E82.7Confident84.1Confident135 Ų13592.1 Ų92.163%0.63143%0.432SS*.Hα-helixtrans-65.2-38.8172.1-66.8-174.1-175.400112.9T1163 N1168 K1169T1163-E1165 PolarHBondContact O-N 3.37Å; E1165-N1168 PolarHBondContact O-N 3.15Å; E1165-K1169 WeakPolarHBondContact O-CG 3.48Å; E1165-K1169 PolarHBondContact O-N 3.46Å
1166D84.6Confident84.1Confident33 Ų3389.9 Ų89.918%0.17643%0.426CS..Hα-helixtrans-67.4-43.7177.1-60-50.9000110.4L1162 T1163 N1168 K1169 I1170L1162-D1166 HydrophobicContact CB-CB 4.33Å; L1162-D1166 HydrophobicContact CD2-CB 4.06Å; T1163-D1166 WeakPolarHBondContact CB-OD2 3.45Å; T1163-D1166 PolarHBondContact N-OD2 3.2Å; T1163-D1166 WeakPolarHBondContact O-CB 3.43Å; T1163-D1166 PolarHBondContact O-N 3.04Å; T1163-D1166 VanDerWaalsContact OG1-CG 3.24Å; T1163-D1166 PolarHBondContact OG1-N 3.22Å; T1163-D1166 PolarHBondContact OG1-OD2 3.02Å; D1166-N1168 VanDerWaalsContact C-N 3.3Å; D1166-N1168 PolarHBondContact O-N 3.24Å; D1166-K1169 PolarHBondContact O-N 3.23Å; D1166-I1170 WeakPolarHBondContact O-CD1 3.47Å; D1166-I1170 VanDerWaalsContact O-CG1 3.22Å; D1166-I1170 WeakPolarHBondContact O-CG1 3.19Å; D1166-I1170 PolarHBondContact O-N 2.98Å
1167F84.8Confident84.2Confident56 Ų5691.7 Ų91.725%0.24643%0.427CS..Hα-helixtrans-57.5-44173.4-78.4-74.4000111.6L1162 T1163 E1164 I1170 H1171 I1208L1162-F1167 HydrophobicContact CB-CD2 4.26Å; L1162-F1167 HydrophobicContact CB-CE2 3.7Å; L1162-F1167 HydrophobicContact CB-CZ 4.03Å; L1162-F1167 HydrophobicContact CD1-CZ 4.3Å; L1162-F1167 WeakPolarHBondContact O-CE2 3.15Å; T1163-F1167 WeakPolarHBondContact O-CD2 3.45Å; T1163-F1167 PolarHBondContact O-N 3.38Å; E1164-F1167 PolarHBondContact O-N 3.11Å; F1167-I1170 PolarHBondContact O-N 2.9Å; F1167-H1171 WeakPolarHBondContact O-CB 3.41Å; F1167-H1171 PolarHBondContact O-N 2.92Å; F1167-I1208 HydrophobicContact CD1-CD1 3.85Å; F1167-I1208 HydrophobicContact CD1-CG1 4.23Å; F1167-I1208 HydrophobicContact CE1-CD1 3.54Å; F1167-I1208 HydrophobicContact CE1-CG1 4.08Å
1168N83.7Confident84.3Confident92 Ų9294.3 Ų94.349%0.49245%0.447SS..Hα-helixtrans-65.8-41.2178-72.2-24.4000112.3E1164 E1165 D1166 H1171 E1172E1164-N1168 WeakPolarHBondContact O-CB 3.2Å; E1164-N1168 VanDerWaalsContact O-CG 3.23Å; E1164-N1168 PolarHBondContact O-N 3.42Å; E1164-N1168 PolarHBondContact O-ND2 3.39Å; E1165-N1168 PolarHBondContact O-N 3.15Å; D1166-N1168 VanDerWaalsContact C-N 3.3Å; D1166-N1168 PolarHBondContact O-N 3.24Å; N1168-H1171 PolarHBondContact O-N 2.98Å; N1168-E1172 WeakPolarHBondContact O-CB 3.22Å; N1168-E1172 WeakPolarHBondContact O-CG 3.48Å; N1168-E1172 PolarHBondContact O-N 3.4Å
1169K86Confident84.3Confident124 Ų12488.1 Ų88.154%0.53943%0.427SS..Hα-helixtrans-65.3-41.3175.9-76.1172.3-172.8157.80112.7E1165 D1166 H1171 R1173E1165-K1169 WeakPolarHBondContact O-CG 3.48Å; E1165-K1169 PolarHBondContact O-N 3.46Å; D1166-K1169 PolarHBondContact O-N 3.23Å; K1169-H1171 VanDerWaalsContact C-N 3.35Å; K1169-R1173 WeakPolarHBondContact O-CB 3.42Å; K1169-R1173 PolarHBondContact O-N 3.05Å
1170I87.2Confident84.5Confident4 Ų484.1 Ų84.12%0.02142%0.417CS..Hα-helixtrans-62.3-48.7174.5-64.6163000108.3L1162 D1166 F1167 E1172 R1173 Y1174 I1204 F1207 I1208 Y1211L1162-I1170 HydrophobicContact CD1-CD1 4.43Å; D1166-I1170 WeakPolarHBondContact O-CD1 3.47Å; D1166-I1170 VanDerWaalsContact O-CG1 3.22Å; D1166-I1170 WeakPolarHBondContact O-CG1 3.19Å; D1166-I1170 PolarHBondContact O-N 2.98Å; F1167-I1170 PolarHBondContact O-N 2.9Å; I1170-E1172 PolarHBondContact O-N 2.89Å; I1170-R1173 PolarHBondContact O-N 2.78Å; I1170-Y1174 HydrophobicContact CG2-CD2 3.99Å; I1170-Y1174 HydrophobicContact CG2-CE2 4.29Å; I1170-Y1174 VanDerWaalsContact O-CD2 3.23Å; I1170-Y1174 WeakPolarHBondContact O-CD2 3.48Å; I1170-Y1174 PolarHBondContact O-N 3.33Å; I1170-Y1174 VanDerWaalsContact O-N 3.1Å; I1170-I1204 HydrophobicContact CG2-CD1 4.1Å; I1170-F1207 HydrophobicContact CG2-CB 4.04Å; I1170-I1208 HydrophobicContact CD1-CG1 4.32Å; I1170-I1208 HydrophobicContact CG2-CG1 4.35Å; I1170-Y1211 HydrophobicContact CD1-CD1 3.6Å; I1170-Y1211 HydrophobicContact CD1-CD2 4.3Å; I1170-Y1211 HydrophobicContact CD1-CE1 4.14Å; I1170-Y1211 HydrophobicContact CD1-CG 3.69Å; I1170-Y1211 HydrophobicContact CG1-CD1 4.18Å; I1170-Y1211 HydrophobicContact CG1-CD2 3.96Å; I1170-Y1211 HydrophobicContact CG1-CE2 4.41Å; I1170-Y1211 HydrophobicContact CG1-CG 3.83Å
1171H84.1Confident84.7Confident40 Ų4089.2 Ų89.219%0.18543%0.43CS..Hα-helixtrans-60.4-48.6178.6-172.6-106000112F1167 N1168 K1169 R1173 Y1174 H1175 Y1190 H1201 I1204F1167-H1171 WeakPolarHBondContact O-CB 3.41Å; F1167-H1171 PolarHBondContact O-N 2.92Å; N1168-H1171 PolarHBondContact O-N 2.98Å; K1169-H1171 VanDerWaalsContact C-N 3.35Å; H1171-R1173 VanDerWaalsContact C-N 3.27Å; H1171-R1173 PolarHBondContact O-N 3.46Å; H1171-Y1174 CarbonylContact O-C 3.5Å; H1171-Y1174 PolarHBondContact O-N 3.26Å; H1171-Y1174 VanDerWaalsContact O-N 3.12Å; H1171-H1175 WeakPolarHBondContact O-CA 3.38Å; H1171-H1175 VanDerWaalsContact O-CB 3.26Å; H1171-H1175 WeakPolarHBondContact O-CB 3.35Å; H1171-H1175 PolarHBondContact O-N 2.78Å; H1171-Y1190 AromaticContact NE2-CE2 3.77Å; H1171-H1201 PolarHBondContact NE2-N 2.94Å; H1171-I1204 HydrophobicContact CB-CD1 4.21Å
1172E85.3Confident84.9Confident140 Ų14086.3 Ų86.365%0.65442%0.421SS*.Hα-helixtrans-57.1-37.7174.7-82.6-168.4162.700112.8N1168 I1170 Y1174 H1175N1168-E1172 WeakPolarHBondContact O-CB 3.22Å; N1168-E1172 WeakPolarHBondContact O-CG 3.48Å; N1168-E1172 PolarHBondContact O-N 3.4Å; I1170-E1172 PolarHBondContact O-N 2.89Å; E1172-Y1174 VanDerWaalsContact C-N 3.33Å; E1172-Y1174 PolarHBondContact O-N 2.82Å; E1172-H1175 PolarHBondContact O-CE1 3.45Å; E1172-H1175 PolarHBondContact O-ND1 2.68Å
1173R85.6Confident85.1Confident187 Ų18787.6 Ų87.671%0.70643%0.425SS*.Hα-helixtrans-68.7-35.3179-172.3172.8-179.4-174.4-5112.4K1169 I1170 H1171K1169-R1173 WeakPolarHBondContact O-CB 3.42Å; K1169-R1173 PolarHBondContact O-N 3.05Å; I1170-R1173 PolarHBondContact O-N 2.78Å; H1171-R1173 VanDerWaalsContact C-N 3.27Å; H1171-R1173 PolarHBondContact O-N 3.46Å
1174Y87.3Confident85.1Confident17 Ų1790.2 Ų90.27%0.06743%0.427CS..Hα-helixtrans-109.23.3-173.7-64.5-83.7000114.2I1170 H1171 E1172 L1176 Y1177 F1207 E1210I1170-Y1174 HydrophobicContact CG2-CD2 3.99Å; I1170-Y1174 HydrophobicContact CG2-CE2 4.29Å; I1170-Y1174 VanDerWaalsContact O-CD2 3.23Å; I1170-Y1174 WeakPolarHBondContact O-CD2 3.48Å; I1170-Y1174 PolarHBondContact O-N 3.33Å; I1170-Y1174 VanDerWaalsContact O-N 3.1Å; H1171-Y1174 CarbonylContact O-C 3.5Å; H1171-Y1174 PolarHBondContact O-N 3.26Å; H1171-Y1174 VanDerWaalsContact O-N 3.12Å; E1172-Y1174 VanDerWaalsContact C-N 3.33Å; E1172-Y1174 PolarHBondContact O-N 2.82Å; Y1174-L1176 PolarHBondContact O-N 3.2Å; Y1174-Y1177 AromaticContact CD1-CD2 3.87Å; Y1174-Y1177 HydrophobicContact CD1-CD2 3.87Å; Y1174-Y1177 HydrophobicContact CD1-CE2 4.4Å; Y1174-Y1177 HydrophobicContact CD1-CG 4.13Å; Y1174-Y1177 HydrophobicContact CE1-CD2 4.43Å; Y1174-Y1177 WeakPolarHBondContact O-CB 3.25Å; Y1174-Y1177 PolarHBondContact O-N 2.82Å; Y1174-F1207 VanDerWaalsContact CB-CE2 3.5Å; Y1174-F1207 HydrophobicContact CD1-CB 4.48Å; Y1174-F1207 AromaticContact CD1-CD1 3.73Å; Y1174-F1207 HydrophobicContact CD1-CD1 3.73Å; Y1174-F1207 HydrophobicContact CD1-CD2 4.1Å; Y1174-F1207 AromaticContact CD1-CE1 3.89Å; Y1174-F1207 HydrophobicContact CD1-CE1 3.89Å; Y1174-F1207 HydrophobicContact CD1-CE2 4.2Å; Y1174-F1207 AromaticContact CD1-CG 3.87Å; Y1174-F1207 HydrophobicContact CD1-CG 3.87Å; Y1174-F1207 HydrophobicContact CD1-CZ 4.13Å; Y1174-F1207 HydrophobicContact CD2-CB 3.77Å; Y1174-F1207 HydrophobicContact CD2-CD2 4.2Å; Y1174-F1207 AromaticContact CD2-CG 3.95Å; Y1174-F1207 HydrophobicContact CD2-CG 3.95Å; Y1174-F1207 AromaticContact CE1-CD1 3.93Å; Y1174-F1207 HydrophobicContact CE1-CD1 3.93Å; Y1174-F1207 HydrophobicContact CE1-CE1 4.31Å; Y1174-F1207 HydrophobicContact CE1-CG 4.31Å; Y1174-F1207 HydrophobicContact CE2-CB 4.02Å; Y1174-F1207 HydrophobicContact CE2-CG 4.42Å; Y1174-F1207 HydrophobicContact CG-CB 4.04Å; Y1174-F1207 HydrophobicContact CG-CD1 4.05Å; Y1174-F1207 AromaticContact CG-CD2 3.67Å; Y1174-F1207 HydrophobicContact CG-CD2 3.67Å; Y1174-F1207 HydrophobicContact CG-CE1 4.44Å; Y1174-F1207 HydrophobicContact CG-CE2 4.05Å; Y1174-F1207 AromaticContact CG-CG 3.67Å; Y1174-F1207 HydrophobicContact CG-CG 3.67Å; Y1174-F1207 HydrophobicContact CG-CZ 4.44Å; Y1174-E1210 PolarHBondContact OH-OE1 2.97Å; Y1174-E1210 PolarHBondContact OH-OE2 3.48Å
1175H82.5Confident85.3Confident63 Ų6387 Ų8729%0.29241%0.409SS..THydrogen-bonded Turntrans-64.6-26.4-17575.4-71.9000113.4H1171 E1172 Y1190H1171-H1175 WeakPolarHBondContact O-CA 3.38Å; H1171-H1175 VanDerWaalsContact O-CB 3.26Å; H1171-H1175 WeakPolarHBondContact O-CB 3.35Å; H1171-H1175 PolarHBondContact O-N 2.78Å; E1172-H1175 PolarHBondContact O-CE1 3.45Å; E1172-H1175 PolarHBondContact O-ND1 2.68Å; H1175-Y1190 VanDerWaalsContact CA-OH 3.23Å; H1175-Y1190 WeakPolarHBondContact CA-OH 3.42Å; H1175-Y1190 WeakPolarHBondContact CB-OH 3.44Å; H1175-Y1190 PolarHBondContact O-OH 2.76Å
1176L81.9Confident85.3Confident133 Ų13384.4 Ų84.470%0.69640%0.403SS*.THydrogen-bonded Turntrans-99.78.8174.3-60.9174.5000113.2Y1174Y1174-L1176 PolarHBondContact O-N 3.2Å
1177Y84.9Confident85.2Confident123 Ų12385.1 Ų85.148%0.48242%0.418SS..SBendtrans-65.4148.6177.2-154.9-99.9000110.2Y1174 L1179 H1201 F1207Y1174-Y1177 AromaticContact CD1-CD2 3.87Å; Y1174-Y1177 HydrophobicContact CD1-CD2 3.87Å; Y1174-Y1177 HydrophobicContact CD1-CE2 4.4Å; Y1174-Y1177 HydrophobicContact CD1-CG 4.13Å; Y1174-Y1177 HydrophobicContact CE1-CD2 4.43Å; Y1174-Y1177 WeakPolarHBondContact O-CB 3.25Å; Y1174-Y1177 PolarHBondContact O-N 2.82Å; Y1177-L1179 PolarHBondContact O-N 3.28Å; Y1177-H1201 PolarHBondContact O-NE2 3.42Å; Y1177-F1207 AromaticContact CD1-CE1 3.87Å; Y1177-F1207 HydrophobicContact CD1-CE1 3.87Å; Y1177-F1207 AromaticContact CD1-CZ 3.54Å; Y1177-F1207 HydrophobicContact CD1-CZ 3.54Å; Y1177-F1207 HydrophobicContact CE1-CE1 4.14Å; Y1177-F1207 HydrophobicContact CE1-CZ 4.25Å; Y1177-F1207 HydrophobicContact CG-CE1 4.34Å; Y1177-F1207 AromaticContact CG-CZ 3.91Å; Y1177-F1207 HydrophobicContact CG-CZ 3.91Å
1178P86.7Confident85.1Confident100 Ų10086.8 Ų86.865%0.64943%0.432SS*.PPolyproline II helixtrans-52.6126178.3-28.634.7000112.3
1179L86.5Confident85.1Confident50 Ų5086.1 Ų86.126%0.26242%0.424SS..PPolyproline II helixtrans-76149.9-178.8-71.2160.6000111.4Y1177 W1183 Y1190 H1201 P1202Y1177-L1179 PolarHBondContact O-N 3.28Å; L1179-W1183 HydrophobicContact CB-CB 4.06Å; L1179-W1183 HydrophobicContact CD2-CB 4.31Å; L1179-Y1190 HydrophobicContact CD1-CD1 4.29Å; L1179-Y1190 HydrophobicContact CD2-CD1 3.38Å; L1179-Y1190 HydrophobicContact CD2-CE1 3.7Å; L1179-Y1190 HydrophobicContact CD2-CG 4.46Å; L1179-Y1190 HydrophobicContact CG-CD1 4.42Å; L1179-H1201 WeakPolarHBondContact CD2-NE2 3.49Å; L1179-P1202 HydrophobicContact CD2-CG 4.06Å
1180P84.9Confident85.2Confident37 Ų3780.3 Ų80.324%0.2440%0.398CS..PPolyproline II helixtrans-57.9151.1170.4-19.931.2000111.2G1182 W1183 P1202 N1203P1180-G1182 PolarHBondContact O-N 3.37Å; P1180-W1183 WeakPolarHBondContact O-CB 3.31Å; P1180-W1183 PolarHBondContact O-N 3.44Å; P1180-P1202 HydrophobicContact CG-CB 4.16Å; P1180-N1203 WeakPolarHBondContact CG-OD1 3.37Å
1181Q85.6Confident85.2Confident205 Ų20582 Ų8296%0.95841%0.409SS*.THydrogen-bonded Turntrans-55.7124.4-178.7-165.9170.515.200111
1182G86.2Confident85.4Confident27 Ų2781.2 Ų81.228%0.27841%0.406SS..THydrogen-bonded Turntrans96-2.7-178.300000115.7P1180 Y1184 N1192 M1193P1180-G1182 PolarHBondContact O-N 3.37Å; G1182-Y1184 WeakPolarHBondContact O-CE2 3.21Å; G1182-N1192 VanDerWaalsContact O-CA 3.3Å; G1182-N1192 WeakPolarHBondContact O-CA 3.26Å; G1182-M1193 PolarHBondContact O-N 2.82Å
1183W88.7Confident85.3Confident44 Ų4481.5 Ų81.517%0.16741%0.409CS..EExtended strand (participates in β ladder)trans-101.3144.2171.4-72.483.7000111.9L1179 P1180 V1191 N1192 E1196 L1198 P1202L1179-W1183 HydrophobicContact CB-CB 4.06Å; L1179-W1183 HydrophobicContact CD2-CB 4.31Å; P1180-W1183 WeakPolarHBondContact O-CB 3.31Å; P1180-W1183 PolarHBondContact O-N 3.44Å; W1183-V1191 CarbonylContact C-O 3.57Å; W1183-V1191 WeakPolarHBondContact CA-O 3.44Å; W1183-N1192 HydrophobicContact CD2-CB 3.76Å; W1183-N1192 HydrophobicContact CE3-CB 4Å; W1183-N1192 HydrophobicContact CG-CB 4.2Å; W1183-N1192 HydrophobicContact CH2-CB 4.25Å; W1183-N1192 HydrophobicContact CZ2-CB 4.04Å; W1183-N1192 HydrophobicContact CZ3-CB 4.24Å; W1183-E1196 HydrophobicContact CH2-CB 4.42Å; W1183-L1198 HydrophobicContact CH2-CD1 3.36Å; W1183-L1198 HydrophobicContact CH2-CG 3.77Å; W1183-L1198 HydrophobicContact CZ2-CD1 4.12Å; W1183-L1198 HydrophobicContact CZ3-CB 4.31Å; W1183-L1198 HydrophobicContact CZ3-CD1 3.77Å; W1183-L1198 HydrophobicContact CZ3-CG 3.97Å; W1183-P1202 HydrophobicContact CB-CG 4.3Å; W1183-P1202 HydrophobicContact CD2-CB 4.07Å; W1183-P1202 HydrophobicContact CD2-CG 3.42Å; W1183-P1202 VanDerWaalsContact CD2-CG 3.42Å; W1183-P1202 HydrophobicContact CE3-CB 4.45Å; W1183-P1202 HydrophobicContact CE3-CG 3.51Å; W1183-P1202 HydrophobicContact CG-CB 4.44Å; W1183-P1202 HydrophobicContact CG-CG 3.8Å; W1183-P1202 HydrophobicContact CH2-CG 4.46Å; W1183-P1202 HydrophobicContact CZ2-CB 4.34Å; W1183-P1202 HydrophobicContact CZ2-CG 4.37Å; W1183-P1202 HydrophobicContact CZ3-CG 4.05Å
1184Y86.4Confident85.2Confident127 Ų12779.1 Ų79.150%0.49841%0.411SS..EExtended strand (participates in β ladder)trans-134.8142.1178.2-46.7-90.7000109.9G1182 V1191 M1193G1182-Y1184 WeakPolarHBondContact O-CE2 3.21Å; Y1184-V1191 PolarHBondContact N-O 3.33Å; Y1184-V1191 WeakPolarHBondContact O-CG2 3.38Å; Y1184-V1191 PolarHBondContact O-N 2.76Å; Y1184-M1193 HydrophobicContact CE2-CG 3.97Å; Y1184-M1193 HydrophobicContact CE2-SD 3.57Å; Y1184-M1193 VanDerWaalsContact CE2-SD 3.57Å
1185Y86.6Confident85Confident89 Ų8981.2 Ų81.235%0.34944%0.437SS..EExtended strand (participates in β ladder)trans-96.6124.7174.5-177.4-121.5000110.2G1187 Y1189 Y1190Y1185-G1187 VanDerWaalsContact C-N 3.32Å; Y1185-G1187 PolarHBondContact OH-O 2.85Å; Y1185-Y1189 WeakPolarHBondContact CD2-O 3.26Å; Y1185-Y1190 AromaticContact CD2-CD1 3.61Å; Y1185-Y1190 HydrophobicContact CD2-CD1 3.61Å; Y1185-Y1190 HydrophobicContact CD2-CD2 4.27Å; Y1185-Y1190 AromaticContact CD2-CE1 3.4Å; Y1185-Y1190 HydrophobicContact CD2-CE1 3.4Å; Y1185-Y1190 VanDerWaalsContact CD2-CE1 3.4Å; Y1185-Y1190 HydrophobicContact CD2-CE2 4.07Å; Y1185-Y1190 HydrophobicContact CD2-CG 4.06Å; Y1185-Y1190 AromaticContact CD2-CZ 3.67Å; Y1185-Y1190 HydrophobicContact CE2-CD1 4.48Å; Y1185-Y1190 HydrophobicContact CE2-CD2 4.49Å; Y1185-Y1190 HydrophobicContact CE2-CE1 4.04Å; Y1185-Y1190 HydrophobicContact CE2-CE2 4.02Å; Y1185-Y1190 AromaticContact CE2-CZ 3.8Å; Y1185-Y1190 HydrophobicContact CG-CD1 4.21Å; Y1185-Y1190 AromaticContact CG-CE1 3.93Å; Y1185-Y1190 HydrophobicContact CG-CE1 3.93Å
1186T82.8Confident85Confident82 Ų8283.6 Ų83.650%0.50345%0.448SS..  trans-85.4-1.9-176.951.60000113.8T1188 Y1189 V1191T1186-T1188 VanDerWaalsContact C-N 3.33Å; T1186-Y1189 PolarHBondContact N-O 3.44Å; T1186-Y1189 PolarHBondContact OG1-N 3.4Å; T1186-Y1189 PolarHBondContact OG1-O 2.93Å; T1186-V1191 HydrophobicContact CG2-CG2 3.5Å; T1186-V1191 VanDerWaalsContact CG2-CG2 3.5Å
1187G82Confident85.2Confident47 Ų4782.1 Ų82.149%0.48544%0.436SS..SBendtrans93.2-16.6-168.300000113.6Y1185Y1185-G1187 VanDerWaalsContact C-N 3.32Å; Y1185-G1187 PolarHBondContact OH-O 2.85Å
1188T81.8Confident85.3Confident91 Ų9179.8 Ų79.856%0.55843%0.431SS*.SBendtrans-131-31173.8410000113.6T1186T1186-T1188 VanDerWaalsContact C-N 3.33Å
1189Y84.6Confident85.2Confident79 Ų7982 Ų8231%0.3143%0.431SS..  trans-140.2156.4-176.1-41.7-75.3000111.9Y1185 T1186 K1197 F1199Y1185-Y1189 WeakPolarHBondContact CD2-O 3.26Å; T1186-Y1189 PolarHBondContact N-O 3.44Å; T1186-Y1189 PolarHBondContact OG1-N 3.4Å; T1186-Y1189 PolarHBondContact OG1-O 2.93Å; Y1189-K1197 HydrophobicContact CD2-CD 4.48Å; Y1189-K1197 VanDerWaalsContact CE2-CE 3.49Å; Y1189-K1197 HydrophobicContact CG-CD 4.25Å; Y1189-K1197 HydrophobicContact CG-CG 4.29Å; Y1189-K1197 VanDerWaalsContact CZ-NZ 3.26Å; Y1189-F1199 AromaticContact CD1-CD1 3.73Å; Y1189-F1199 HydrophobicContact CD1-CD1 3.73Å; Y1189-F1199 AromaticContact CD1-CE1 3.84Å; Y1189-F1199 HydrophobicContact CD1-CE1 3.84Å; Y1189-F1199 HydrophobicContact CD1-CG 4.47Å; Y1189-F1199 AromaticContact CE1-CD1 3.67Å; Y1189-F1199 HydrophobicContact CE1-CD1 3.67Å; Y1189-F1199 AromaticContact CE1-CE1 3.41Å; Y1189-F1199 HydrophobicContact CE1-CE1 3.41Å; Y1189-F1199 VanDerWaalsContact CE1-CE1 3.41Å; Y1189-F1199 HydrophobicContact CE1-CZ 4.3Å
1190Y87.7Confident85.1Confident1 Ų184.4 Ų84.40%0.00444%0.441CS..EExtended strand (participates in β ladder)trans-93.8129.9170.6-55.3-86.2000109.3H1171 H1175 L1179 Y1185 K1197 L1198 Q1200 H1201H1171-Y1190 AromaticContact NE2-CE2 3.77Å; H1175-Y1190 VanDerWaalsContact CA-OH 3.23Å; H1175-Y1190 WeakPolarHBondContact CA-OH 3.42Å; H1175-Y1190 WeakPolarHBondContact CB-OH 3.44Å; H1175-Y1190 PolarHBondContact O-OH 2.76Å; L1179-Y1190 HydrophobicContact CD1-CD1 4.29Å; L1179-Y1190 HydrophobicContact CD2-CD1 3.38Å; L1179-Y1190 HydrophobicContact CD2-CE1 3.7Å; L1179-Y1190 HydrophobicContact CD2-CG 4.46Å; L1179-Y1190 HydrophobicContact CG-CD1 4.42Å; Y1185-Y1190 AromaticContact CD2-CD1 3.61Å; Y1185-Y1190 HydrophobicContact CD2-CD1 3.61Å; Y1185-Y1190 HydrophobicContact CD2-CD2 4.27Å; Y1185-Y1190 AromaticContact CD2-CE1 3.4Å; Y1185-Y1190 HydrophobicContact CD2-CE1 3.4Å; Y1185-Y1190 VanDerWaalsContact CD2-CE1 3.4Å; Y1185-Y1190 HydrophobicContact CD2-CE2 4.07Å; Y1185-Y1190 HydrophobicContact CD2-CG 4.06Å; Y1185-Y1190 AromaticContact CD2-CZ 3.67Å; Y1185-Y1190 HydrophobicContact CE2-CD1 4.48Å; Y1185-Y1190 HydrophobicContact CE2-CD2 4.49Å; Y1185-Y1190 HydrophobicContact CE2-CE1 4.04Å; Y1185-Y1190 HydrophobicContact CE2-CE2 4.02Å; Y1185-Y1190 AromaticContact CE2-CZ 3.8Å; Y1185-Y1190 HydrophobicContact CG-CD1 4.21Å; Y1185-Y1190 AromaticContact CG-CE1 3.93Å; Y1185-Y1190 HydrophobicContact CG-CE1 3.93Å; Y1190-K1197 WeakPolarHBondContact O-CA 3.47Å; Y1190-L1198 PolarHBondContact N-O 3.15Å; Y1190-L1198 PolarHBondContact O-N 2.75Å; Y1190-Q1200 WeakPolarHBondContact CD2-O 3.38Å; Y1190-H1201 HydrophobicContact CE1-CB 4.46Å; Y1190-H1201 AromaticContact CE1-CD2 3.88Å; Y1190-H1201 HydrophobicContact CE2-CB 4.34Å; Y1190-H1201 VanDerWaalsContact CE2-N 3.33Å
1191V87.8Confident85.1Confident40 Ų4082.7 Ų82.724%0.24243%0.43CS..EExtended strand (participates in β ladder)trans-133.5140.1-178.6-83.70000110.9W1183 Y1184 T1186 E1196 K1197W1183-V1191 CarbonylContact C-O 3.57Å; W1183-V1191 WeakPolarHBondContact CA-O 3.44Å; Y1184-V1191 PolarHBondContact N-O 3.33Å; Y1184-V1191 WeakPolarHBondContact O-CG2 3.38Å; Y1184-V1191 PolarHBondContact O-N 2.76Å; T1186-V1191 HydrophobicContact CG2-CG2 3.5Å; T1186-V1191 VanDerWaalsContact CG2-CG2 3.5Å; V1191-E1196 VanDerWaalsContact CA-O 3.3Å; V1191-E1196 WeakPolarHBondContact CA-O 3.23Å; V1191-K1197 HydrophobicContact CG1-CB 4.1Å; V1191-K1197 HydrophobicContact CG1-CG 4.15Å
1192N87.2Confident85.1Confident23 Ų2374.2 Ų74.212%0.12339%0.393CS..EExtended strand (participates in β ladder)trans-103.5171.1172.369.914.1000112.1G1182 W1183 N1194 G1195 E1196G1182-N1192 VanDerWaalsContact O-CA 3.3Å; G1182-N1192 WeakPolarHBondContact O-CA 3.26Å; W1183-N1192 HydrophobicContact CD2-CB 3.76Å; W1183-N1192 HydrophobicContact CE3-CB 4Å; W1183-N1192 HydrophobicContact CG-CB 4.2Å; W1183-N1192 HydrophobicContact CH2-CB 4.25Å; W1183-N1192 HydrophobicContact CZ2-CB 4.04Å; W1183-N1192 HydrophobicContact CZ3-CB 4.24Å; N1192-N1194 PolarHBondContact O-N 3.42Å; N1192-N1194 VanDerWaalsContact O-N 3.13Å; N1192-N1194 WeakPolarHBondContact OD1-CA 3.23Å; N1192-N1194 WeakPolarHBondContact OD1-CB 3.38Å; N1192-N1194 PolarHBondContact OD1-N 3.48Å; N1192-G1195 PolarHBondContact O-N 2.92Å; N1192-G1195 PolarHBondContact OD1-N 3.36Å; N1192-E1196 PolarHBondContact N-O 3.37Å; N1192-E1196 PolarHBondContact ND2-OE2 2.9Å; N1192-E1196 WeakPolarHBondContact OD1-CB 3.33Å; N1192-E1196 PolarHBondContact OD1-N 2.98Å
1193M83.2Confident85.2Confident146 Ų14675 Ų7572%0.71939%0.391SS*.THydrogen-bonded Turntrans-62.4-16.5178.4-63-66.6-101.400113.9G1182 Y1184 G1195G1182-M1193 PolarHBondContact O-N 2.82Å; Y1184-M1193 HydrophobicContact CE2-CG 3.97Å; Y1184-M1193 HydrophobicContact CE2-SD 3.57Å; Y1184-M1193 VanDerWaalsContact CE2-SD 3.57Å; M1193-G1195 VanDerWaalsContact C-N 3.32Å
1194N84.4Confident85.1Confident138 Ų13873.5 Ų73.574%0.73839%0.386SS*.THydrogen-bonded Turntrans-85.8-5.3177.6-59.8-14.9000112.6N1192N1192-N1194 PolarHBondContact O-N 3.42Å; N1192-N1194 VanDerWaalsContact O-N 3.13Å; N1192-N1194 WeakPolarHBondContact OD1-CA 3.23Å; N1192-N1194 WeakPolarHBondContact OD1-CB 3.38Å; N1192-N1194 PolarHBondContact OD1-N 3.48Å
1195G81.7Confident85Confident60 Ų6071 Ų7162%0.61938%0.381SS*.  trans86.67.8-178.400000114.8N1192 M1193N1192-G1195 PolarHBondContact O-N 2.92Å; N1192-G1195 PolarHBondContact OD1-N 3.36Å; M1193-G1195 VanDerWaalsContact C-N 3.32Å
1196E84.5Confident85Confident114 Ų11472.1 Ų72.153%0.53339%0.389SS..  trans-72134.9174.5-60.6176157.100109.9W1183 V1191 N1192W1183-E1196 HydrophobicContact CH2-CB 4.42Å; V1191-E1196 VanDerWaalsContact CA-O 3.3Å; V1191-E1196 WeakPolarHBondContact CA-O 3.23Å; N1192-E1196 PolarHBondContact N-O 3.37Å; N1192-E1196 PolarHBondContact ND2-OE2 2.9Å; N1192-E1196 WeakPolarHBondContact OD1-CB 3.33Å; N1192-E1196 PolarHBondContact OD1-N 2.98Å
1197K85.6Confident85.3Confident102 Ų10268.7 Ų68.744%0.44337%0.368SS..EExtended strand (participates in β ladder)trans-119122.1-176.1-176.4-175.3-179.2-178.70110.1Y1189 Y1190 V1191Y1189-K1197 HydrophobicContact CD2-CD 4.48Å; Y1189-K1197 VanDerWaalsContact CE2-CE 3.49Å; Y1189-K1197 HydrophobicContact CG-CD 4.25Å; Y1189-K1197 HydrophobicContact CG-CG 4.29Å; Y1189-K1197 VanDerWaalsContact CZ-NZ 3.26Å; Y1190-K1197 WeakPolarHBondContact O-CA 3.47Å; V1191-K1197 HydrophobicContact CG1-CB 4.1Å; V1191-K1197 HydrophobicContact CG1-CG 4.15Å
1198L86Confident85.6Confident73 Ų7366.6 Ų66.638%0.38235%0.345SS..EExtended strand (participates in β ladder)trans-115.8140.2174.5-63.9176.3000110.6W1183 Y1190 Q1200 P1202W1183-L1198 HydrophobicContact CH2-CD1 3.36Å; W1183-L1198 HydrophobicContact CH2-CG 3.77Å; W1183-L1198 HydrophobicContact CZ2-CD1 4.12Å; W1183-L1198 HydrophobicContact CZ3-CB 4.31Å; W1183-L1198 HydrophobicContact CZ3-CD1 3.77Å; W1183-L1198 HydrophobicContact CZ3-CG 3.97Å; Y1190-L1198 PolarHBondContact N-O 3.15Å; Y1190-L1198 PolarHBondContact O-N 2.75Å; L1198-Q1200 WeakPolarHBondContact CB-O 3.44Å; L1198-P1202 HydrophobicContact CD1-CB 4.47Å
1199F85.1Confident85.8Confident147 Ų14768 Ų6865%0.64535%0.346SS*.SBendtrans-80.8-21.8172.4-66.5-92.9000112.1Y1189Y1189-F1199 AromaticContact CD1-CD1 3.73Å; Y1189-F1199 HydrophobicContact CD1-CD1 3.73Å; Y1189-F1199 AromaticContact CD1-CE1 3.84Å; Y1189-F1199 HydrophobicContact CD1-CE1 3.84Å; Y1189-F1199 HydrophobicContact CD1-CG 4.47Å; Y1189-F1199 AromaticContact CE1-CD1 3.67Å; Y1189-F1199 HydrophobicContact CE1-CD1 3.67Å; Y1189-F1199 AromaticContact CE1-CE1 3.41Å; Y1189-F1199 HydrophobicContact CE1-CE1 3.41Å; Y1189-F1199 VanDerWaalsContact CE1-CE1 3.41Å; Y1189-F1199 HydrophobicContact CE1-CZ 4.3Å
1200Q83.5Confident85.9Confident100 Ų10069 Ų6947%0.46735%0.353SS..SBendtrans-111.8159.2179.6-64.7176.7-500110.4Y1190 L1198 I1204Y1190-Q1200 WeakPolarHBondContact CD2-O 3.38Å; L1198-Q1200 WeakPolarHBondContact CB-O 3.44Å; Q1200-I1204 HydrophobicContact CB-CB 4.3Å; Q1200-I1204 HydrophobicContact CB-CG1 4.41Å; Q1200-I1204 HydrophobicContact CB-CG2 4.04Å
1201H86.6Confident86Confident1 Ų171.8 Ų71.81%0.00536%0.364CS..  trans-56.6138.2177.3-171.1-81000109.9H1171 Y1177 L1179 Y1190 N1203 I1204 F1207H1171-H1201 PolarHBondContact NE2-N 2.94Å; Y1177-H1201 PolarHBondContact O-NE2 3.42Å; L1179-H1201 WeakPolarHBondContact CD2-NE2 3.49Å; Y1190-H1201 HydrophobicContact CE1-CB 4.46Å; Y1190-H1201 AromaticContact CE1-CD2 3.88Å; Y1190-H1201 HydrophobicContact CE2-CB 4.34Å; Y1190-H1201 VanDerWaalsContact CE2-N 3.33Å; H1201-N1203 PolarHBondContact ND1-N 3.34Å; H1201-N1203 PolarHBondContact O-N 3.41Å; H1201-N1203 VanDerWaalsContact O-N 3.14Å; H1201-I1204 HydrophobicContact CB-CB 4.47Å; H1201-I1204 WeakPolarHBondContact O-CB 3.25Å; H1201-I1204 VanDerWaalsContact O-CG2 3.24Å; H1201-I1204 WeakPolarHBondContact O-CG2 3.24Å; H1201-I1204 PolarHBondContact O-N 3.1Å; H1201-F1207 HydrophobicContact CB-CE2 4.21Å; H1201-F1207 AromaticContact CE1-CE2 3.53Å; H1201-F1207 AromaticContact CE1-CZ 3.65Å; H1201-F1207 AromaticContact CG-CE2 3.62Å; H1201-F1207 AromaticContact ND1-CE2 3.19Å; H1201-F1207 WeakPolarHBondContact ND1-CE2 3.27Å; H1201-F1207 AromaticContact ND1-CZ 3.76Å
1202P84.8Confident86Confident28 Ų2871 Ų7118%0.18236%0.358CS..THydrogen-bonded Turntrans-54.5-37.5-177.3-26.534.1000113.4L1179 P1180 W1183 L1198 I1204L1179-P1202 HydrophobicContact CD2-CG 4.06Å; P1180-P1202 HydrophobicContact CG-CB 4.16Å; W1183-P1202 HydrophobicContact CB-CG 4.3Å; W1183-P1202 HydrophobicContact CD2-CB 4.07Å; W1183-P1202 HydrophobicContact CD2-CG 3.42Å; W1183-P1202 VanDerWaalsContact CD2-CG 3.42Å; W1183-P1202 HydrophobicContact CE3-CB 4.45Å; W1183-P1202 HydrophobicContact CE3-CG 3.51Å; W1183-P1202 HydrophobicContact CG-CB 4.44Å; W1183-P1202 HydrophobicContact CG-CG 3.8Å; W1183-P1202 HydrophobicContact CH2-CG 4.46Å; W1183-P1202 HydrophobicContact CZ2-CB 4.34Å; W1183-P1202 HydrophobicContact CZ2-CG 4.37Å; W1183-P1202 HydrophobicContact CZ3-CG 4.05Å; L1198-P1202 HydrophobicContact CD1-CB 4.47Å; P1202-I1204 VanDerWaalsContact C-N 3.32Å; P1202-I1204 PolarHBondContact O-N 3.49Å
1203N88.8Confident86Confident44 Ų4476.3 Ų76.324%0.23538%0.382CS..THydrogen-bonded Turntrans-91.419.5177.6-64.922.2000113.6P1180 H1201 N1205 E1206 F1207P1180-N1203 WeakPolarHBondContact CG-OD1 3.37Å; H1201-N1203 PolarHBondContact ND1-N 3.34Å; H1201-N1203 PolarHBondContact O-N 3.41Å; H1201-N1203 VanDerWaalsContact O-N 3.14Å; N1203-N1205 PolarHBondContact O-N 3.1Å; N1203-N1205 VanDerWaalsContact O-N 3.13Å; N1203-E1206 HydrophobicContact CB-CB 4.42Å; N1203-E1206 WeakPolarHBondContact CB-OE2 3.37Å; N1203-E1206 PolarHBondContact ND2-OE2 3.48Å; N1203-E1206 WeakPolarHBondContact O-CB 3.21Å; N1203-E1206 PolarHBondContact O-N 2.67Å; N1203-F1207 HydrophobicContact CB-CE1 4.35Å; N1203-F1207 HydrophobicContact CB-CE2 4.16Å; N1203-F1207 HydrophobicContact CB-CZ 3.95Å; N1203-F1207 WeakPolarHBondContact O-CD2 3.32Å; N1203-F1207 WeakPolarHBondContact O-CG 3.42Å; N1203-F1207 PolarHBondContact O-N 2.72Å; N1203-F1207 VanDerWaalsContact O-N 3.13Å
1204I86.1Confident86.2Confident12 Ų1270.7 Ų70.76%0.06236%0.362CS..Hα-helixtrans-56-34.9-177.4-170.257.4000112.5I1170 H1171 Q1200 H1201 P1202 F1207 I1208I1170-I1204 HydrophobicContact CG2-CD1 4.1Å; H1171-I1204 HydrophobicContact CB-CD1 4.21Å; Q1200-I1204 HydrophobicContact CB-CB 4.3Å; Q1200-I1204 HydrophobicContact CB-CG1 4.41Å; Q1200-I1204 HydrophobicContact CB-CG2 4.04Å; H1201-I1204 HydrophobicContact CB-CB 4.47Å; H1201-I1204 WeakPolarHBondContact O-CB 3.25Å; H1201-I1204 VanDerWaalsContact O-CG2 3.24Å; H1201-I1204 WeakPolarHBondContact O-CG2 3.24Å; H1201-I1204 PolarHBondContact O-N 3.1Å; P1202-I1204 VanDerWaalsContact C-N 3.32Å; P1202-I1204 PolarHBondContact O-N 3.49Å; I1204-F1207 HydrophobicContact CD1-CD2 4.45Å; I1204-F1207 PolarHBondContact O-N 3.12Å; I1204-I1208 HydrophobicContact CG1-CD1 3.95Å; I1204-I1208 HydrophobicContact CG1-CG1 4.43Å; I1204-I1208 WeakPolarHBondContact O-CD1 3.09Å; I1204-I1208 WeakPolarHBondContact O-CG1 3.33Å; I1204-I1208 PolarHBondContact O-N 3.28Å
1205N85Confident86.4Confident75 Ų7566.4 Ų66.440%0.40134%0.337SS..Hα-helixtrans-62.8-41.5176.6-69.1-38.2000112.4R1159 N1203 F1207 I1208 E1209R1159-N1205 PolarHBondContact NH2-OD1 3.41Å; N1203-N1205 PolarHBondContact O-N 3.1Å; N1203-N1205 VanDerWaalsContact O-N 3.13Å; N1205-F1207 VanDerWaalsContact C-N 3.34Å; N1205-I1208 PolarHBondContact O-N 3.19Å; N1205-E1209 WeakPolarHBondContact O-CG 3.27Å; N1205-E1209 PolarHBondContact O-N 2.87Å
1206E86.3Confident86.7Confident112 Ų11264.8 Ų64.852%0.52332%0.315SS..Hα-helixtrans-65.4-40.4176.5-62.9176.7170.800110.5N1203 I1208 E1209 E1210N1203-E1206 HydrophobicContact CB-CB 4.42Å; N1203-E1206 WeakPolarHBondContact CB-OE2 3.37Å; N1203-E1206 PolarHBondContact ND2-OE2 3.48Å; N1203-E1206 WeakPolarHBondContact O-CB 3.21Å; N1203-E1206 PolarHBondContact O-N 2.67Å; E1206-I1208 VanDerWaalsContact C-N 3.34Å; E1206-I1208 PolarHBondContact O-N 3.24Å; E1206-E1209 PolarHBondContact O-N 2.89Å; E1206-E1210 WeakPolarHBondContact O-CB 3.07Å; E1206-E1210 PolarHBondContact O-N 3.37Å
1207F88.9Confident86.9Confident10 Ų1063.3 Ų63.34%0.04431%0.313CS..Hα-helixtrans-68-33.5176.8-55.7-34.5000113I1170 Y1174 Y1177 H1201 N1203 I1204 N1205 Y1211I1170-F1207 HydrophobicContact CG2-CB 4.04Å; Y1174-F1207 VanDerWaalsContact CB-CE2 3.5Å; Y1174-F1207 HydrophobicContact CD1-CB 4.48Å; Y1174-F1207 AromaticContact CD1-CD1 3.73Å; Y1174-F1207 HydrophobicContact CD1-CD1 3.73Å; Y1174-F1207 HydrophobicContact CD1-CD2 4.1Å; Y1174-F1207 AromaticContact CD1-CE1 3.89Å; Y1174-F1207 HydrophobicContact CD1-CE1 3.89Å; Y1174-F1207 HydrophobicContact CD1-CE2 4.2Å; Y1174-F1207 AromaticContact CD1-CG 3.87Å; Y1174-F1207 HydrophobicContact CD1-CG 3.87Å; Y1174-F1207 HydrophobicContact CD1-CZ 4.13Å; Y1174-F1207 HydrophobicContact CD2-CB 3.77Å; Y1174-F1207 HydrophobicContact CD2-CD2 4.2Å; Y1174-F1207 AromaticContact CD2-CG 3.95Å; Y1174-F1207 HydrophobicContact CD2-CG 3.95Å; Y1174-F1207 AromaticContact CE1-CD1 3.93Å; Y1174-F1207 HydrophobicContact CE1-CD1 3.93Å; Y1174-F1207 HydrophobicContact CE1-CE1 4.31Å; Y1174-F1207 HydrophobicContact CE1-CG 4.31Å; Y1174-F1207 HydrophobicContact CE2-CB 4.02Å; Y1174-F1207 HydrophobicContact CE2-CG 4.42Å; Y1174-F1207 HydrophobicContact CG-CB 4.04Å; Y1174-F1207 HydrophobicContact CG-CD1 4.05Å; Y1174-F1207 AromaticContact CG-CD2 3.67Å; Y1174-F1207 HydrophobicContact CG-CD2 3.67Å; Y1174-F1207 HydrophobicContact CG-CE1 4.44Å; Y1174-F1207 HydrophobicContact CG-CE2 4.05Å; Y1174-F1207 AromaticContact CG-CG 3.67Å; Y1174-F1207 HydrophobicContact CG-CG 3.67Å; Y1174-F1207 HydrophobicContact CG-CZ 4.44Å; Y1177-F1207 AromaticContact CD1-CE1 3.87Å; Y1177-F1207 HydrophobicContact CD1-CE1 3.87Å; Y1177-F1207 AromaticContact CD1-CZ 3.54Å; Y1177-F1207 HydrophobicContact CD1-CZ 3.54Å; Y1177-F1207 HydrophobicContact CE1-CE1 4.14Å; Y1177-F1207 HydrophobicContact CE1-CZ 4.25Å; Y1177-F1207 HydrophobicContact CG-CE1 4.34Å; Y1177-F1207 AromaticContact CG-CZ 3.91Å; Y1177-F1207 HydrophobicContact CG-CZ 3.91Å; H1201-F1207 HydrophobicContact CB-CE2 4.21Å; H1201-F1207 AromaticContact CE1-CE2 3.53Å; H1201-F1207 AromaticContact CE1-CZ 3.65Å; H1201-F1207 AromaticContact CG-CE2 3.62Å; H1201-F1207 AromaticContact ND1-CE2 3.19Å; H1201-F1207 WeakPolarHBondContact ND1-CE2 3.27Å; H1201-F1207 AromaticContact ND1-CZ 3.76Å; N1203-F1207 HydrophobicContact CB-CE1 4.35Å; N1203-F1207 HydrophobicContact CB-CE2 4.16Å; N1203-F1207 HydrophobicContact CB-CZ 3.95Å; N1203-F1207 WeakPolarHBondContact O-CD2 3.32Å; N1203-F1207 WeakPolarHBondContact O-CG 3.42Å; N1203-F1207 PolarHBondContact O-N 2.72Å; N1203-F1207 VanDerWaalsContact O-N 3.13Å; I1204-F1207 HydrophobicContact CD1-CD2 4.45Å; I1204-F1207 PolarHBondContact O-N 3.12Å; N1205-F1207 VanDerWaalsContact C-N 3.34Å; F1207-Y1211 VanDerWaalsContact O-CB 3.25Å; F1207-Y1211 WeakPolarHBondContact O-CB 3.41Å; F1207-Y1211 PolarHBondContact O-N 2.92Å
1208I87.5Confident87Confident2 Ų264.7 Ų64.71%0.0132%0.319CS..Hα-helixtrans-65.4-43.8171.6-69.3155.8000109.9R1159 L1162 F1167 I1170 I1204 N1205 E1206 Y1211 I1212R1159-I1208 HydrophobicContact CG-CG2 4.39Å; L1162-I1208 HydrophobicContact CD1-CG2 3.72Å; F1167-I1208 HydrophobicContact CD1-CD1 3.85Å; F1167-I1208 HydrophobicContact CD1-CG1 4.23Å; F1167-I1208 HydrophobicContact CE1-CD1 3.54Å; F1167-I1208 HydrophobicContact CE1-CG1 4.08Å; I1170-I1208 HydrophobicContact CD1-CG1 4.32Å; I1170-I1208 HydrophobicContact CG2-CG1 4.35Å; I1204-I1208 HydrophobicContact CG1-CD1 3.95Å; I1204-I1208 HydrophobicContact CG1-CG1 4.43Å; I1204-I1208 WeakPolarHBondContact O-CD1 3.09Å; I1204-I1208 WeakPolarHBondContact O-CG1 3.33Å; I1204-I1208 PolarHBondContact O-N 3.28Å; N1205-I1208 PolarHBondContact O-N 3.19Å; E1206-I1208 VanDerWaalsContact C-N 3.34Å; E1206-I1208 PolarHBondContact O-N 3.24Å; I1208-Y1211 PolarHBondContact O-N 3.06Å; I1208-I1212 HydrophobicContact CG2-CD1 3.76Å; I1208-I1212 HydrophobicContact CG2-CG1 4.42Å; I1208-I1212 WeakPolarHBondContact O-CB 3.32Å; I1208-I1212 WeakPolarHBondContact O-CG1 3.48Å; I1208-I1212 PolarHBondContact O-N 2.8Å
1209E87.2Confident87Confident122 Ų12261.7 Ų61.757%0.5730%0.303SS*.Hα-helixtrans-64.4-44.8176.5-74.8178.5-175.800112N1205 E1206 Y1211 I1212 E1213N1205-E1209 WeakPolarHBondContact O-CG 3.27Å; N1205-E1209 PolarHBondContact O-N 2.87Å; E1206-E1209 PolarHBondContact O-N 2.89Å; E1209-Y1211 VanDerWaalsContact C-N 3.32Å; E1209-Y1211 PolarHBondContact O-N 3.34Å; E1209-I1212 PolarHBondContact O-N 3.46Å; E1209-E1213 VanDerWaalsContact O-CB 3.32Å; E1209-E1213 WeakPolarHBondContact O-CB 3.45Å; E1209-E1213 PolarHBondContact O-N 2.87Å
1210E87Confident87.1Confident98 Ų9859.6 Ų59.646%0.45830%0.296SS..Hα-helixtrans-60.2-42.2174.8-171.9-164.8159.100111.3Y1174 E1206 E1213 G1214Y1174-E1210 PolarHBondContact OH-OE1 2.97Å; Y1174-E1210 PolarHBondContact OH-OE2 3.48Å; E1206-E1210 WeakPolarHBondContact O-CB 3.07Å; E1206-E1210 PolarHBondContact O-N 3.37Å; E1210-E1213 PolarHBondContact O-N 3.43Å; E1210-G1214 PolarHBondContact O-N 3.4Å
1211Y88.2Confident87.1Confident61 Ų6157.8 Ų57.824%0.23930%0.298CS..Hα-helixtrans-63.1-47.4175.6178.3-94.5000111.5L1162 I1170 F1207 I1208 E1209 G1214 E1215L1162-Y1211 HydrophobicContact CD2-CD1 4.14Å; L1162-Y1211 HydrophobicContact CD2-CE1 3.78Å; I1170-Y1211 HydrophobicContact CD1-CD1 3.6Å; I1170-Y1211 HydrophobicContact CD1-CD2 4.3Å; I1170-Y1211 HydrophobicContact CD1-CE1 4.14Å; I1170-Y1211 HydrophobicContact CD1-CG 3.69Å; I1170-Y1211 HydrophobicContact CG1-CD1 4.18Å; I1170-Y1211 HydrophobicContact CG1-CD2 3.96Å; I1170-Y1211 HydrophobicContact CG1-CE2 4.41Å; I1170-Y1211 HydrophobicContact CG1-CG 3.83Å; F1207-Y1211 VanDerWaalsContact O-CB 3.25Å; F1207-Y1211 WeakPolarHBondContact O-CB 3.41Å; F1207-Y1211 PolarHBondContact O-N 2.92Å; I1208-Y1211 PolarHBondContact O-N 3.06Å; E1209-Y1211 VanDerWaalsContact C-N 3.32Å; E1209-Y1211 PolarHBondContact O-N 3.34Å; Y1211-G1214 PolarHBondContact O-N 3.24Å; Y1211-E1215 HydrophobicContact CD1-CG 4.34Å; Y1211-E1215 HydrophobicContact CD2-CG 4.48Å; Y1211-E1215 HydrophobicContact CE1-CG 3.91Å; Y1211-E1215 HydrophobicContact CE2-CG 4.05Å; Y1211-E1215 WeakPolarHBondContact O-CB 3.24Å; Y1211-E1215 WeakPolarHBondContact O-CG 3.16Å; Y1211-E1215 PolarHBondContact O-N 3.26Å
1212I88.7Confident86.8Confident23 Ų2361.4 Ų61.412%0.11831%0.311CS..Hα-helixtrans-61.1-46.3177.1-71.4168.3000110.2I1157 R1159 L1162 I1208 E1209 E1215 N1216I1157-I1212 WeakPolarHBondContact O-CG2 3.14Å; R1159-I1212 HydrophobicContact CB-CD1 3.96Å; R1159-I1212 HydrophobicContact CG-CD1 4.47Å; L1162-I1212 HydrophobicContact CD1-CD1 3.93Å; L1162-I1212 HydrophobicContact CD1-CG1 4.02Å; I1208-I1212 HydrophobicContact CG2-CD1 3.76Å; I1208-I1212 HydrophobicContact CG2-CG1 4.42Å; I1208-I1212 WeakPolarHBondContact O-CB 3.32Å; I1208-I1212 WeakPolarHBondContact O-CG1 3.48Å; I1208-I1212 PolarHBondContact O-N 2.8Å; E1209-I1212 PolarHBondContact O-N 3.46Å; I1212-E1215 PolarHBondContact O-N 3.38Å; I1212-N1216 VanDerWaalsContact CG2-ND2 3.27Å; I1212-N1216 WeakPolarHBondContact CG2-ND2 3.32Å; I1212-N1216 WeakPolarHBondContact O-CB 3.2Å; I1212-N1216 PolarHBondContact O-N 2.68Å; I1212-N1216 PolarHBondContact O-ND2 2.91Å
1213E87.2Confident86.8Confident134 Ų13460.8 Ų60.863%0.62631%0.307SS*.Hα-helixtrans-62.1-45.2178-174.3178.9-169.700111E1209 E1210 N1216 T1217E1209-E1213 VanDerWaalsContact O-CB 3.32Å; E1209-E1213 WeakPolarHBondContact O-CB 3.45Å; E1209-E1213 PolarHBondContact O-N 2.87Å; E1210-E1213 PolarHBondContact O-N 3.43Å; E1213-N1216 PolarHBondContact O-N 2.73Å; E1213-T1217 WeakPolarHBondContact O-CB 3.46Å; E1213-T1217 PolarHBondContact O-N 2.9Å; E1213-T1217 PolarHBondContact O-OG1 3.5Å
1214G86.8Confident86.4Confident29 Ų2960.9 Ų60.930%0.29931%0.311SS..Hα-helixtrans-63.5-44.917800000112.9E1210 Y1211 T1217 K1218E1210-G1214 PolarHBondContact O-N 3.4Å; Y1211-G1214 PolarHBondContact O-N 3.24Å; G1214-T1217 PolarHBondContact O-N 2.73Å; G1214-K1218 WeakPolarHBondContact O-CG 3.43Å; G1214-K1218 PolarHBondContact O-N 2.78Å; G1214-K1218 VanDerWaalsContact O-N 3.15Å
1215E88.2Confident86Confident47 Ų4769.6 Ų69.622%0.2234%0.343CS..Hα-helixtrans-68.5-40.5175-73-58.4116.500111.8I1157 Y1211 I1212 T1217 K1218 I1219I1157-E1215 HydrophobicContact CD1-CB 3.97Å; Y1211-E1215 HydrophobicContact CD1-CG 4.34Å; Y1211-E1215 HydrophobicContact CD2-CG 4.48Å; Y1211-E1215 HydrophobicContact CE1-CG 3.91Å; Y1211-E1215 HydrophobicContact CE2-CG 4.05Å; Y1211-E1215 WeakPolarHBondContact O-CB 3.24Å; Y1211-E1215 WeakPolarHBondContact O-CG 3.16Å; Y1211-E1215 PolarHBondContact O-N 3.26Å; I1212-E1215 PolarHBondContact O-N 3.38Å; E1215-T1217 VanDerWaalsContact C-N 3.33Å; E1215-T1217 PolarHBondContact O-N 2.79Å; E1215-K1218 WeakPolarHBondContact O-CB 3.49Å; E1215-K1218 PolarHBondContact O-N 3.48Å; E1215-K1218 IonicContact OE1-NZ 3.1Å; E1215-K1218 PolarHBondContact OE1-NZ 2.78Å; E1215-I1219 WeakPolarHBondContact O-CB 3.46Å; E1215-I1219 VanDerWaalsContact O-CG1 3.25Å; E1215-I1219 WeakPolarHBondContact O-CG1 3.07Å; E1215-I1219 PolarHBondContact O-N 3.15Å
1216N89.8Confident85.4Confident27 Ų2768.1 Ų68.114%0.14434%0.335CS..Hα-helixtrans-65.7-35.2176-78.4-20.1000112.3L1156 I1157 I1212 E1213 I1219 E1220L1156-N1216 WeakPolarHBondContact CA-OD1 3.47Å; L1156-N1216 HydrophobicContact CD2-CB 3.9Å; I1157-N1216 PolarHBondContact N-OD1 3.02Å; I1157-N1216 PolarHBondContact O-ND2 3.01Å; I1212-N1216 VanDerWaalsContact CG2-ND2 3.27Å; I1212-N1216 WeakPolarHBondContact CG2-ND2 3.32Å; I1212-N1216 WeakPolarHBondContact O-CB 3.2Å; I1212-N1216 PolarHBondContact O-N 2.68Å; I1212-N1216 PolarHBondContact O-ND2 2.91Å; E1213-N1216 PolarHBondContact O-N 2.73Å; N1216-I1219 CarbonylContact O-C 3.55Å; N1216-I1219 PolarHBondContact O-N 3.14Å; N1216-E1220 VanDerWaalsContact O-CB 3.24Å; N1216-E1220 WeakPolarHBondContact O-CB 3.19Å; N1216-E1220 PolarHBondContact O-N 2.75Å
1217T88.1Confident84.8Confident82 Ų8271 Ų7150%0.50334%0.341SS..Hα-helixtrans-64.2-41.7173.1-56.20000110.7E1213 G1214 E1215 E1220 A1221E1213-T1217 WeakPolarHBondContact O-CB 3.46Å; E1213-T1217 PolarHBondContact O-N 2.9Å; E1213-T1217 PolarHBondContact O-OG1 3.5Å; G1214-T1217 PolarHBondContact O-N 2.73Å; E1215-T1217 VanDerWaalsContact C-N 3.33Å; E1215-T1217 PolarHBondContact O-N 2.79Å; T1217-E1220 PolarHBondContact O-N 2.88Å; T1217-A1221 VanDerWaalsContact O-CB 3.27Å; T1217-A1221 WeakPolarHBondContact O-CB 3.43Å; T1217-A1221 PolarHBondContact O-N 2.9Å
1218K87.6Confident83.9Confident131 Ų13175.2 Ų75.257%0.5737%0.37SS*.Hα-helixtrans-64.9-42.8173.4-67.2170.6-167.4168.30111.6G1214 E1215 E1220 R1222G1214-K1218 WeakPolarHBondContact O-CG 3.43Å; G1214-K1218 PolarHBondContact O-N 2.78Å; G1214-K1218 VanDerWaalsContact O-N 3.15Å; E1215-K1218 WeakPolarHBondContact O-CB 3.49Å; E1215-K1218 PolarHBondContact O-N 3.48Å; E1215-K1218 IonicContact OE1-NZ 3.1Å; E1215-K1218 PolarHBondContact OE1-NZ 2.78Å; K1218-E1220 VanDerWaalsContact C-N 3.34Å; K1218-R1222 WeakPolarHBondContact O-CB 3.43Å; K1218-R1222 PolarHBondContact O-N 2.98Å
1219I86.4Confident82.8Confident10 Ų1081.7 Ų81.75%0.05140%0.4CS..Hα-helixtrans-63.1-41.6176.5-70.3164.2000110.3R1154 L1156 I1157 E1215 N1216 R1222 N1223R1154-I1219 HydrophobicContact CB-CG1 4.47Å; R1154-I1219 HydrophobicContact CB-CG2 3.89Å; R1154-I1219 VanDerWaalsContact O-CG2 3.31Å; R1154-I1219 WeakPolarHBondContact O-CG2 3.46Å; L1156-I1219 HydrophobicContact CD2-CB 4.38Å; L1156-I1219 HydrophobicContact CD2-CG2 3.97Å; I1157-I1219 HydrophobicContact CD1-CD1 3.75Å; I1157-I1219 HydrophobicContact CG1-CD1 3.71Å; E1215-I1219 WeakPolarHBondContact O-CB 3.46Å; E1215-I1219 VanDerWaalsContact O-CG1 3.25Å; E1215-I1219 WeakPolarHBondContact O-CG1 3.07Å; E1215-I1219 PolarHBondContact O-N 3.15Å; N1216-I1219 CarbonylContact O-C 3.55Å; N1216-I1219 PolarHBondContact O-N 3.14Å; I1219-R1222 WeakPolarHBondContact O-CB 3.47Å; I1219-R1222 PolarHBondContact O-N 3.34Å; I1219-N1223 VanDerWaalsContact O-CB 3.26Å; I1219-N1223 WeakPolarHBondContact O-CB 3.47Å; I1219-N1223 PolarHBondContact O-N 3.21Å; I1219-N1223 PolarHBondContact O-ND2 3.1Å; I1219-N1223 PolarHBondContact O-OD1 3.37Å
1220E85.8Confident81.4Confident103 Ų10380.8 Ų80.848%0.48141%0.405SS..Hα-helixtrans-73-41.1-179.6-171.3162.8-141.400112.2N1216 T1217 K1218 R1222 N1223 S1224N1216-E1220 VanDerWaalsContact O-CB 3.24Å; N1216-E1220 WeakPolarHBondContact O-CB 3.19Å; N1216-E1220 PolarHBondContact O-N 2.75Å; T1217-E1220 PolarHBondContact O-N 2.88Å; K1218-E1220 VanDerWaalsContact C-N 3.34Å; E1220-R1222 VanDerWaalsContact C-N 3.29Å; E1220-R1222 PolarHBondContact O-N 3.21Å; E1220-N1223 PolarHBondContact O-N 3.48Å; E1220-S1224 WeakPolarHBondContact O-CB 3.3Å; E1220-S1224 PolarHBondContact O-N 3.13Å; E1220-S1224 PolarHBondContact O-OG 3.29Å
1221A83.5Confident80Confident62 Ų6279.8 Ų79.851%0.51241%0.405SS..Hα-helixtrans-59.9-41.717100000111.2T1217 S1224 R1225T1217-A1221 VanDerWaalsContact O-CB 3.27Å; T1217-A1221 WeakPolarHBondContact O-CB 3.43Å; T1217-A1221 PolarHBondContact O-N 2.9Å; A1221-S1224 PolarHBondContact O-N 3.13Å; A1221-R1225 PolarHBondContact O-N 3.47Å
1222R81.2Confident78.8Confident77 Ų7779.3 Ų79.329%0.29141%0.411SS..Hα-helixtrans-63.1-50.7173.7-179.5-176-175.5169.30.9111.9E1151 K1218 I1219 E1220 S1224 R1225 L1226E1151-R1222 IonicContact OE1-NH2 2.73Å; E1151-R1222 IonicContact OE2-CZ 3.82Å; E1151-R1222 VanDerWaalsContact OE2-CZ 3.25Å; E1151-R1222 IonicContact OE2-NE 2.68Å; E1151-R1222 PolarHBondContact OE2-NE 2.73Å; E1151-R1222 IonicContact OE2-NH2 3.56Å; E1151-R1222 PolarHBondContact OE2-NH2 2.77Å; K1218-R1222 WeakPolarHBondContact O-CB 3.43Å; K1218-R1222 PolarHBondContact O-N 2.98Å; I1219-R1222 WeakPolarHBondContact O-CB 3.47Å; I1219-R1222 PolarHBondContact O-N 3.34Å; E1220-R1222 VanDerWaalsContact C-N 3.29Å; E1220-R1222 PolarHBondContact O-N 3.21Å; R1222-S1224 VanDerWaalsContact C-N 3.27Å; R1222-S1224 PolarHBondContact O-N 2.94Å; R1222-R1225 WeakPolarHBondContact O-CB 3.45Å; R1222-R1225 PolarHBondContact O-N 3.18Å; R1222-L1226 HydrophobicContact CG-CD1 4.42Å; R1222-L1226 WeakPolarHBondContact O-CG 3.41Å; R1222-L1226 PolarHBondContact O-N 2.82Å
1223N84.6Confident77.9Confident16 Ų1681.4 Ų81.49%0.08642%0.422CS..Hα-helixtrans-62.8-35.1178.9-71.6-11000111.4P1153 R1154 I1219 E1220 L1226 R1227P1153-N1223 WeakPolarHBondContact CA-OD1 3.44Å; R1154-N1223 PolarHBondContact N-OD1 3.15Å; R1154-N1223 PolarHBondContact O-ND2 2.83Å; I1219-N1223 VanDerWaalsContact O-CB 3.26Å; I1219-N1223 WeakPolarHBondContact O-CB 3.47Å; I1219-N1223 PolarHBondContact O-N 3.21Å; I1219-N1223 PolarHBondContact O-ND2 3.1Å; I1219-N1223 PolarHBondContact O-OD1 3.37Å; E1220-N1223 PolarHBondContact O-N 3.48Å; N1223-L1226 PolarHBondContact O-N 2.86Å; N1223-R1227 WeakPolarHBondContact O-CG 3.3Å; N1223-R1227 PolarHBondContact O-N 2.91Å
1224S80.1Confident77.1Confident46 Ų4675.4 Ų75.432%0.32239%0.394SS..Hα-helixtrans-67.3-43.4175.1-62.30000111.3E1220 A1221 R1222 L1226 R1227 C1228E1220-S1224 WeakPolarHBondContact O-CB 3.3Å; E1220-S1224 PolarHBondContact O-N 3.13Å; E1220-S1224 PolarHBondContact O-OG 3.29Å; A1221-S1224 PolarHBondContact O-N 3.13Å; R1222-S1224 VanDerWaalsContact C-N 3.27Å; R1222-S1224 PolarHBondContact O-N 2.94Å; S1224-L1226 VanDerWaalsContact C-N 3.28Å; S1224-L1226 PolarHBondContact O-N 3.17Å; S1224-R1227 PolarHBondContact O-N 3.06Å; S1224-R1227 VanDerWaalsContact O-N 3.11Å; S1224-C1228 PolarHBondContact O-N 3.01Å; S1224-C1228 PolarHBondContact O-SG 2.82Å; S1224-C1228 VanDerWaalsContact O-SG 3.37Å
1225R78.3Confident76.4Confident195 Ų19576.9 Ų76.974%0.73639%0.393SS*.Hα-helixtrans-58-41.3172.2-176.1178.5177.2166.9-0.7111.7A1221 R1222 C1228 H1229A1221-R1225 PolarHBondContact O-N 3.47Å; R1222-R1225 WeakPolarHBondContact O-CB 3.45Å; R1222-R1225 PolarHBondContact O-N 3.18Å; R1225-C1228 PolarHBondContact O-N 3.26Å; R1225-H1229 PolarHBondContact O-N 2.95Å; R1225-H1229 VanDerWaalsContact O-N 3.15Å
1226L73Confident75.2Confident43 Ų4379.8 Ų79.823%0.22542%0.418CS..Hα-helixtrans-66.6-35.3175.4-67.3169.3000112.5E1151 R1222 N1223 S1224 H1229E1151-L1226 HydrophobicContact CB-CD1 4.2Å; E1151-L1226 HydrophobicContact CB-CD2 4.06Å; E1151-L1226 WeakPolarHBondContact O-CD1 3.04Å; R1222-L1226 HydrophobicContact CG-CD1 4.42Å; R1222-L1226 WeakPolarHBondContact O-CG 3.41Å; R1222-L1226 PolarHBondContact O-N 2.82Å; N1223-L1226 PolarHBondContact O-N 2.86Å; S1224-L1226 VanDerWaalsContact C-N 3.28Å; S1224-L1226 PolarHBondContact O-N 3.17Å; L1226-H1229 CarbonylContact O-C 3.59Å
1227R73.8Confident74.5Confident174 Ų17482.5 Ų82.566%0.65743%0.432SS*.Hα-helixtrans-69.6-36.9173.6-73.1-177.7-131.3171.64.9113N1223 S1224N1223-R1227 WeakPolarHBondContact O-CG 3.3Å; N1223-R1227 PolarHBondContact O-N 2.91Å; S1224-R1227 PolarHBondContact O-N 3.06Å; S1224-R1227 VanDerWaalsContact O-N 3.11Å
1228C68.2Low73.7Confident97 Ų9782.5 Ų82.566%0.65543%0.428SS*.Hα-helixtrans-74.6-25.3179.7-68.70000113.2S1224 R1225S1224-C1228 PolarHBondContact O-N 3.01Å; S1224-C1228 PolarHBondContact O-SG 2.82Å; S1224-C1228 VanDerWaalsContact O-SG 3.37Å; R1225-C1228 PolarHBondContact O-N 3.26Å
1229H64.9Low73Confident139 Ų13979.8 Ų79.864%0.64442%0.421SS*.SBendtrans-125.373.4173.6-65.9-55.9000110.3R1225 L1226 V1231R1225-H1229 PolarHBondContact O-N 2.95Å; R1225-H1229 VanDerWaalsContact O-N 3.15Å; L1226-H1229 CarbonylContact O-C 3.59Å; H1229-V1231 PolarHBondContact O-N 3.13Å; H1229-V1231 VanDerWaalsContact O-N 3.07Å
1230P58Low72.2Confident103 Ų10383.9 Ų83.967%0.66944%0.442SS*.  trans-62.8116.6176.425.9-31.1000108.6S1232P1230-S1232 PolarHBondContact O-N 3.07Å; P1230-S1232 VanDerWaalsContact O-N 3.15Å
1231V58.7Low71.3Confident77 Ų7782.7 Ų82.747%0.46744%0.44SS..  trans-73.6108.2173.4-175.50000107H1150 H1229H1150-V1231 VanDerWaalsContact CE1-CG1 3.43Å; H1150-V1231 WeakPolarHBondContact CE1-CG1 3.43Å; H1229-V1231 PolarHBondContact O-N 3.13Å; H1229-V1231 VanDerWaalsContact O-N 3.07Å
1232S63.2Low70.5Confident50 Ų5084.1 Ų84.135%0.3544%0.435SS..  trans-60.5150.5178.382.60000111.6R1045 P1230 S1236R1045-S1232 VanDerWaalsContact CZ-OG 3.28Å; R1045-S1232 PolarHBondContact NH1-O 2.89Å; R1045-S1232 VanDerWaalsContact NH2-N 3.11Å; R1045-S1232 PolarHBondContact NH2-O 3.17Å; R1045-S1232 VanDerWaalsContact NH2-O 3.14Å; R1045-S1232 PolarHBondContact NH2-OG 2.83Å; P1230-S1232 PolarHBondContact O-N 3.07Å; P1230-S1232 VanDerWaalsContact O-N 3.15Å; S1232-S1236 WeakPolarHBondContact CB-OG 3.49Å; S1232-S1236 PolarHBondContact OG-OG 3.03Å
1233D68.3Low69.8Low67 Ų6784.6 Ų84.636%0.35845%0.445SS..  trans-58.8158.7177.3-169.311.5000110.1R1144 F1235 S1236R1144-D1233 IonicContact CZ-OD2 3.5Å; R1144-D1233 IonicContact NE-OD1 3.96Å; R1144-D1233 PolarHBondContact NE-OD1 3.07Å; R1144-D1233 IonicContact NE-OD2 2.66Å; R1144-D1233 PolarHBondContact NE-OD2 3.35Å; R1144-D1233 IonicContact NH2-OD2 3.5Å; R1144-D1233 PolarHBondContact NH2-OD2 3.17Å; D1233-F1235 PolarHBondContact O-N 3.36Å; D1233-S1236 WeakPolarHBondContact O-CB 3.45Å; D1233-S1236 PolarHBondContact O-N 2.75Å; D1233-S1236 VanDerWaalsContact O-N 3.15Å; D1233-S1236 PolarHBondContact O-OG 3.18Å
1234L70.1Confident68.6Low8 Ų889.8 Ų89.84%0.04247%0.473CS..THydrogen-bonded Turntrans-57.4-34.3176.8-176.970.7000112.1F1043 R1045 L1047 F1143 I1147F1043-L1234 HydrophobicContact CB-CG 4.15Å; F1043-L1234 HydrophobicContact CD2-CD1 4.16Å; F1043-L1234 HydrophobicContact CG-CG 4.47Å; R1045-L1234 HydrophobicContact CB-CD1 3.94Å; L1047-L1234 HydrophobicContact CD2-CD1 4.18Å; F1143-L1234 HydrophobicContact CD1-CD2 3.16Å; F1143-L1234 HydrophobicContact CE1-CD2 3.1Å; F1143-L1234 HydrophobicContact CE1-CG 4.21Å; F1143-L1234 HydrophobicContact CG-CD2 3.93Å; F1143-L1234 HydrophobicContact CZ-CD2 3.84Å; I1147-L1234 HydrophobicContact CD1-CB 3.74Å; I1147-L1234 HydrophobicContact CD1-CD1 3.61Å; I1147-L1234 HydrophobicContact CD1-CD2 3.68Å; I1147-L1234 HydrophobicContact CD1-CG 3.85Å
1235F72.8Confident67.7Low60 Ų6093.5 Ų93.526%0.26349%0.486SS..THydrogen-bonded Turntrans-98.68-178.4-47.5-72.3000113.7L1041 F1043 A1140 F1143 R1144 D1233L1041-F1235 HydrophobicContact CB-CE1 3.95Å; L1041-F1235 HydrophobicContact CD1-CE1 3.89Å; L1041-F1235 HydrophobicContact CD1-CZ 3.79Å; L1041-F1235 HydrophobicContact CD2-CE1 4.42Å; L1041-F1235 HydrophobicContact CG-CE1 4.31Å; F1043-F1235 HydrophobicContact CB-CD1 4.33Å; A1140-F1235 HydrophobicContact CB-CE2 3.78Å; A1140-F1235 HydrophobicContact CB-CZ 3.92Å; F1143-F1235 HydrophobicContact CB-CZ 4.49Å; F1143-F1235 AromaticContact CD1-CE1 3.89Å; F1143-F1235 HydrophobicContact CD1-CE1 3.89Å; F1143-F1235 AromaticContact CD1-CZ 3.71Å; F1143-F1235 HydrophobicContact CD1-CZ 3.71Å; F1143-F1235 HydrophobicContact CE1-CE1 4.31Å; R1144-F1235 HydrophobicContact CG-CE2 4.19Å; D1233-F1235 PolarHBondContact O-N 3.36Å
1236S62.8Low66.7Low109 Ų10984.3 Ų84.376%0.76246%0.463SS*.  trans-74.50-17969.20000113.6S1232 D1233S1232-S1236 WeakPolarHBondContact CB-OG 3.49Å; S1232-S1236 PolarHBondContact OG-OG 3.03Å; D1233-S1236 WeakPolarHBondContact O-CB 3.45Å; D1233-S1236 PolarHBondContact O-N 2.75Å; D1233-S1236 VanDerWaalsContact O-N 3.15Å; D1233-S1236 PolarHBondContact O-OG 3.18Å

Retrieved 1,236 of 1,236 residues in 3500.3 ms (Link to these results)

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