A0A5K4EYX1_SCHMA Loading...

Putative development and differentiation-enhancing factor, ddef AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4EYX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,403 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
1M42.2Very low79.7Confident203 Ų20384.8 Ų84.8100%147%0.471SS*.  0175.10-76177.367.600107.4D3M1-D3 PolarHBondContact O-N 3.22Å
2P57.8Low80.7Confident56 Ų5681 Ų8136%0.36447%0.466SS..PPolyproline II helixtrans-57.4130.5160.2-18.131.3000108.3S32P2-S32 WeakPolarHBondContact CB-OG 3.45Å
3D69.3Low81.5Confident135 Ų13576.5 Ų76.572%0.72244%0.439SS*.PPolyproline II helixtrans-67.1147.4-179.9-61.4-52.4000110.4M1 L5 S32M1-D3 PolarHBondContact O-N 3.22Å; D3-L5 PolarHBondContact O-N 2.89Å; D3-S32 WeakPolarHBondContact O-CB 3.41Å; D3-S32 PolarHBondContact O-OG 2.87Å
4A75.9Confident82.2Confident68 Ų6872.2 Ų72.256%0.56242%0.415SS*.PPolyproline II helixtrans-71.7123.6-179.300000109.7
5L85.8Confident83Confident18 Ų1872.4 Ų72.49%0.09441%0.413CS..PPolyproline II helixtrans-76130.8-178.2-161.567.1000109D3 E9 F10 K29 V33 T36D3-L5 PolarHBondContact O-N 2.89Å; L5-E9 HydrophobicContact CD1-CB 3.58Å; L5-E9 HydrophobicContact CD1-CG 4.38Å; L5-E9 HydrophobicContact CG-CB 3.84Å; L5-F10 HydrophobicContact CD2-CB 3.88Å; L5-F10 HydrophobicContact CD2-CD2 4.32Å; L5-F10 HydrophobicContact CG-CB 4.37Å; L5-K29 HydrophobicContact CD1-CD 4.48Å; L5-V33 HydrophobicContact CD2-CG2 3.94Å; L5-T36 PolarHBondContact N-OG1 3.3Å; L5-T36 VanDerWaalsContact O-CG2 3.28Å; L5-T36 WeakPolarHBondContact O-CG2 3.48Å; L5-T36 PolarHBondContact O-OG1 2.99Å
6T88.8Confident83.5Confident72 Ų7271.6 Ų71.644%0.44241%0.408SS..PPolyproline II helixtrans-68.5163.2172.462.40000111.2D8 E9 F10T6-D8 VanDerWaalsContact C-N 3.31Å; T6-D8 PolarHBondContact O-N 2.67Å; T6-E9 WeakPolarHBondContact CB-OE2 3.49Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.43Å; T6-E9 PolarHBondContact N-OE2 3.27Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 WeakPolarHBondContact OG1-CB 3.1Å; T6-E9 VanDerWaalsContact OG1-CD 3.28Å; T6-E9 WeakPolarHBondContact OG1-CG 3.35Å; T6-E9 PolarHBondContact OG1-N 3.38Å; T6-E9 PolarHBondContact OG1-OE2 3.19Å; T6-F10 WeakPolarHBondContact O-CB 3.22Å; T6-F10 PolarHBondContact O-N 2.91Å
7V88.7Confident84Confident75 Ų7567.4 Ų67.446%0.45538%0.384SS..Hα-helixtrans-63.6-39.7177.5179.90000110.6F10 I11V7-F10 PolarHBondContact O-N 3.31Å; V7-I11 HydrophobicContact CG1-CD1 3.89Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.5Å; V7-I11 PolarHBondContact O-N 3.06Å
8D91.2Very high84.3Confident126 Ų12668.3 Ų68.367%0.67439%0.39SS*.Hα-helixtrans-68.3-40178.8-59.1-71.3000112.8T6 I11 G12T6-D8 VanDerWaalsContact C-N 3.31Å; T6-D8 PolarHBondContact O-N 2.67Å; D8-I11 PolarHBondContact O-N 3.47Å; D8-G12 PolarHBondContact O-N 3.19Å
9E90.9Very high84.7Confident92 Ų9273.8 Ų73.843%0.4340%0.404SS..Hα-helixtrans-63.3-45171.4-72.5166.9122.100111.4L5 T6 I11 G12 D13L5-E9 HydrophobicContact CD1-CB 3.58Å; L5-E9 HydrophobicContact CD1-CG 4.38Å; L5-E9 HydrophobicContact CG-CB 3.84Å; T6-E9 WeakPolarHBondContact CB-OE2 3.49Å; T6-E9 WeakPolarHBondContact CG2-OE2 3.43Å; T6-E9 PolarHBondContact N-OE2 3.27Å; T6-E9 PolarHBondContact O-N 3.24Å; T6-E9 WeakPolarHBondContact OG1-CB 3.1Å; T6-E9 VanDerWaalsContact OG1-CD 3.28Å; T6-E9 WeakPolarHBondContact OG1-CG 3.35Å; T6-E9 PolarHBondContact OG1-N 3.38Å; T6-E9 PolarHBondContact OG1-OE2 3.19Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 3.16Å; E9-G12 PolarHBondContact O-N 2.72Å; E9-G12 VanDerWaalsContact O-N 3.16Å; E9-D13 WeakPolarHBondContact O-CB 3.46Å; E9-D13 PolarHBondContact O-N 2.88Å
10F92.7Very high84.9Confident9 Ų975.2 Ų75.24%0.03941%0.408CS..Hα-helixtrans-59.4-40.6176.3173.1-102000112.2L5 T6 V7 T14 F26 V33 T198 L202L5-F10 HydrophobicContact CD2-CB 3.88Å; L5-F10 HydrophobicContact CD2-CD2 4.32Å; L5-F10 HydrophobicContact CG-CB 4.37Å; T6-F10 WeakPolarHBondContact O-CB 3.22Å; T6-F10 PolarHBondContact O-N 2.91Å; V7-F10 PolarHBondContact O-N 3.31Å; F10-T14 WeakPolarHBondContact CE2-OG1 3.47Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.28Å; F10-T14 WeakPolarHBondContact O-CB 3.31Å; F10-T14 PolarHBondContact O-N 2.8Å; F10-T14 PolarHBondContact O-OG1 3.06Å; F10-F26 HydrophobicContact CD2-CE2 4.45Å; F10-F26 HydrophobicContact CE2-CE2 4.03Å; F10-F26 HydrophobicContact CE2-CZ 4.38Å; F10-V33 HydrophobicContact CD2-CG2 4.06Å; F10-V33 HydrophobicContact CE2-CG2 4.36Å; F10-T198 HydrophobicContact CD2-CG2 4.23Å; F10-T198 HydrophobicContact CE1-CG2 4Å; F10-T198 HydrophobicContact CE2-CG2 3.58Å; F10-T198 HydrophobicContact CZ-CG2 3.46Å; F10-T198 VanDerWaalsContact CZ-CG2 3.46Å; F10-L202 HydrophobicContact CD1-CD1 3.47Å; F10-L202 VanDerWaalsContact CD1-CD1 3.47Å; F10-L202 HydrophobicContact CE1-CD1 3.82Å; F10-L202 HydrophobicContact CG-CD1 4.09Å
11I93.3Very high84.8Confident79 Ų7973.5 Ų73.541%0.40540%0.4SS..Hα-helixtrans-64.2-47.4173.9-71.3165.5000110.3V7 D8 E9 T14 L15V7-I11 HydrophobicContact CG1-CD1 3.89Å; V7-I11 VanDerWaalsContact O-CG1 3.26Å; V7-I11 WeakPolarHBondContact O-CG1 3.5Å; V7-I11 PolarHBondContact O-N 3.06Å; D8-I11 PolarHBondContact O-N 3.47Å; E9-I11 VanDerWaalsContact C-N 3.3Å; E9-I11 PolarHBondContact O-N 3.16Å; I11-T14 PolarHBondContact O-N 2.92Å; I11-L15 HydrophobicContact CG2-CD1 3.73Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.37Å; I11-L15 PolarHBondContact O-N 2.76Å
12G91.5Very high86.7Confident39 Ų3968.3 Ų68.340%0.40238%0.376SS..Hα-helixtrans-60.1-49.517900000113.1D8 E9 L15 N16D8-G12 PolarHBondContact O-N 3.19Å; E9-G12 PolarHBondContact O-N 2.72Å; E9-G12 VanDerWaalsContact O-N 3.16Å; G12-L15 PolarHBondContact O-N 2.71Å; G12-N16 WeakPolarHBondContact O-CB 3.48Å; G12-N16 PolarHBondContact O-N 2.62Å
13D91.2Very high87.8Confident23 Ų2373.6 Ų73.612%0.12339%0.393CS..Hα-helixtrans-62.6-44.4177.5-72.1-45.3000111.7E9 N16 D17 F26 K29E9-D13 WeakPolarHBondContact O-CB 3.46Å; E9-D13 PolarHBondContact O-N 2.88Å; D13-N16 PolarHBondContact O-N 3.23Å; D13-D17 WeakPolarHBondContact O-CB 3.35Å; D13-D17 PolarHBondContact O-N 3.34Å; D13-F26 HydrophobicContact CB-CD2 4.18Å; D13-K29 IonicContact OD1-NZ 2.68Å; D13-K29 PolarHBondContact OD1-NZ 2.62Å; D13-K29 WeakPolarHBondContact OD2-CD 3.25Å; D13-K29 WeakPolarHBondContact OD2-CE 3.23Å; D13-K29 IonicContact OD2-NZ 2.83Å; D13-K29 PolarHBondContact OD2-NZ 3.4Å
14T92.1Very high88.5Confident16 Ų1667.9 Ų67.910%0.09836%0.364CS..Hα-helixtrans-66.4-40.8178.5-59.80000111.3F10 I11 D17 V18 Q195F10-T14 WeakPolarHBondContact CE2-OG1 3.47Å; F10-T14 WeakPolarHBondContact CZ-OG1 3.28Å; F10-T14 WeakPolarHBondContact O-CB 3.31Å; F10-T14 PolarHBondContact O-N 2.8Å; F10-T14 PolarHBondContact O-OG1 3.06Å; I11-T14 PolarHBondContact O-N 2.92Å; T14-D17 PolarHBondContact O-N 3.02Å; T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.3Å; T14-Q195 HydrophobicContact CG2-CB 4.11Å; T14-Q195 HydrophobicContact CG2-CG 3.97Å
15L93.1Very high88.8Confident75 Ų7570.1 Ų70.139%0.39337%0.367SS..Hα-helixtrans-69.3-35176.3-72.7175.1000112.5I11 G12 V18 R19I11-L15 HydrophobicContact CG2-CD1 3.73Å; I11-L15 HydrophobicContact CG2-CG 4.35Å; I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.25Å; I11-L15 VanDerWaalsContact O-CG 3.26Å; I11-L15 WeakPolarHBondContact O-CG 3.37Å; I11-L15 PolarHBondContact O-N 2.76Å; G12-L15 PolarHBondContact O-N 2.71Å; L15-V18 PolarHBondContact O-N 2.67Å; L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 WeakPolarHBondContact O-CD 3.3Å; L15-R19 VanDerWaalsContact O-CG 3.23Å; L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 3.02Å; L15-R19 VanDerWaalsContact O-N 3.09Å
16N91.7Very high89Confident60 Ų6069.3 Ų69.332%0.32136%0.362SS..Hα-helixtrans-64.3-43.6170.7-172.838.7000110.7G12 D13 V18 R19 H20G12-N16 WeakPolarHBondContact O-CB 3.48Å; G12-N16 PolarHBondContact O-N 2.62Å; D13-N16 PolarHBondContact O-N 3.23Å; N16-V18 VanDerWaalsContact C-N 3.34Å; N16-V18 PolarHBondContact O-N 3.35Å; N16-R19 PolarHBondContact O-N 2.92Å; N16-H20 PolarHBondContact O-N 2.9Å
17D91.1Very high88.8Confident0 Ų068.2 Ų68.20%035%0.353CS..Hα-helixtrans-64-34.3176.7-169.289.9000113.5D13 T14 P21 S24 F26 R191 R192 Q195D13-D17 WeakPolarHBondContact O-CB 3.35Å; D13-D17 PolarHBondContact O-N 3.34Å; T14-D17 PolarHBondContact O-N 3.02Å; D17-P21 WeakPolarHBondContact O-CA 3.42Å; D17-S24 WeakPolarHBondContact CA-OG 3.39Å; D17-S24 WeakPolarHBondContact CB-OG 3.25Å; D17-S24 VanDerWaalsContact CG-OG 3.29Å; D17-S24 VanDerWaalsContact OD1-CB 3.29Å; D17-S24 WeakPolarHBondContact OD1-CB 3.11Å; D17-S24 PolarHBondContact OD1-OG 2.96Å; D17-F26 HydrophobicContact CB-CB 3.97Å; D17-F26 HydrophobicContact CB-CG 4.31Å; D17-F26 WeakPolarHBondContact OD1-CB 3.21Å; D17-R191 IonicContact OD1-CZ 2.73Å; D17-R191 IonicContact OD1-NE 2.78Å; D17-R191 PolarHBondContact OD1-NE 2.85Å; D17-R191 IonicContact OD1-NH2 3.66Å; D17-R191 PolarHBondContact OD1-NH2 3.03Å; D17-R191 IonicContact OD2-CZ 3.12Å; D17-R191 IonicContact OD2-NE 2.66Å; D17-R191 PolarHBondContact OD2-NE 2.82Å; D17-R191 IonicContact OD2-NH2 2.77Å; D17-R191 PolarHBondContact OD2-NH2 3.22Å; D17-R192 PolarHBondContact O-NH2 3.23Å; D17-R192 IonicContact OD2-CZ 2.58Å; D17-R192 VanDerWaalsContact OD2-CZ 3.28Å; D17-R192 IonicContact OD2-NH1 2.64Å; D17-R192 PolarHBondContact OD2-NH1 2.96Å; D17-R192 IonicContact OD2-NH2 2.75Å; D17-R192 PolarHBondContact OD2-NH2 3.39Å; D17-Q195 PolarHBondContact OD2-NE2 3.24Å
18V90.2Very high88.6Confident83 Ų8368.7 Ų68.750%0.50336%0.36SS..Hα-helixtrans-67.3-41.6172.3167.80000111.4T14 L15 N16T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.33Å; T14-V18 PolarHBondContact O-N 3.3Å; L15-V18 PolarHBondContact O-N 2.67Å; N16-V18 VanDerWaalsContact C-N 3.34Å; N16-V18 PolarHBondContact O-N 3.35Å
19R91.2Very high88.5Confident173 Ų17365.7 Ų65.765%0.65334%0.341SS*.Hα-helixtrans-81.2-38-175.5-68.8168.1-176.2177.92.3113.1L15 N16L15-R19 WeakPolarHBondContact O-CB 3.43Å; L15-R19 WeakPolarHBondContact O-CD 3.3Å; L15-R19 VanDerWaalsContact O-CG 3.23Å; L15-R19 WeakPolarHBondContact O-CG 3.36Å; L15-R19 PolarHBondContact O-N 3.02Å; L15-R19 VanDerWaalsContact O-N 3.09Å; N16-R19 PolarHBondContact O-N 2.92Å
20H88.9Confident88.4Confident102 Ų10262 Ų6247%0.47232%0.324SS..  trans-14060.7-167.6-57.3-35.3000111.6N16 L22 K23 S24N16-H20 PolarHBondContact O-N 2.9Å; H20-L22 PolarHBondContact O-N 2.61Å; H20-L22 VanDerWaalsContact O-N 3.08Å; H20-K23 HydrophobicContact CB-CB 4.22Å; H20-K23 CarbonylContact O-C 3.49Å; H20-K23 PolarHBondContact O-N 3.44Å; H20-S24 PolarHBondContact O-N 3.42Å
21P83.6Confident88.2Confident39 Ų3964.7 Ų64.725%0.25334%0.344SS..G310 helixtrans-57.8-29.9-17221.8-34.1000114.4D17 K23D17-P21 WeakPolarHBondContact O-CA 3.42Å; P21-K23 VanDerWaalsContact C-N 3.32Å
22L80.9Confident88.1Confident94 Ų9462 Ų6249%0.49233%0.332SS..G310 helixtrans-83.7-0.7177.1-56.7-177.8000114.4H20 E181 T184H20-L22 PolarHBondContact O-N 2.61Å; H20-L22 VanDerWaalsContact O-N 3.08Å; L22-E181 HydrophobicContact CD1-CG 3.95Å; L22-E181 WeakPolarHBondContact CD1-OE1 3.42Å; L22-E181 HydrophobicContact CD2-CG 3.74Å; L22-E181 HydrophobicContact CG-CG 4.42Å; L22-T184 HydrophobicContact CD2-CG2 4.01Å
23K81.4Confident88.1Confident167 Ų16760.3 Ų60.373%0.72631%0.314SS*.G310 helixtrans-125.522.5175.2-57.4-175.5176.5-175.50111.5H20 P21H20-K23 HydrophobicContact CB-CB 4.22Å; H20-K23 CarbonylContact O-C 3.49Å; H20-K23 PolarHBondContact O-N 3.44Å; P21-K23 VanDerWaalsContact C-N 3.32Å
24S84.1Confident88.1Confident16 Ų1662.8 Ų62.811%0.11232%0.322CS..  trans-105.9116.5-169.81750000111.4D17 H20 F26D17-S24 WeakPolarHBondContact CA-OG 3.39Å; D17-S24 WeakPolarHBondContact CB-OG 3.25Å; D17-S24 VanDerWaalsContact CG-OG 3.29Å; D17-S24 VanDerWaalsContact OD1-CB 3.29Å; D17-S24 WeakPolarHBondContact OD1-CB 3.11Å; D17-S24 PolarHBondContact OD1-OG 2.96Å; H20-S24 PolarHBondContact O-N 3.42Å; S24-F26 PolarHBondContact O-N 3.16Å; S24-F26 VanDerWaalsContact OG-CB 3.29Å; S24-F26 WeakPolarHBondContact OG-CB 3.34Å; S24-F26 PolarHBondContact OG-N 3.01Å
25D82.8Confident88.1Confident114 Ų11463.5 Ų63.561%0.6133%0.327SS*.THydrogen-bonded Turntrans-76.62.7173.9-62.7-51000113.4I27 S28 K29D25-I27 PolarHBondContact O-N 3.35Å; D25-S28 WeakPolarHBondContact O-CB 3.45Å; D25-S28 PolarHBondContact O-N 3.16Å; D25-S28 PolarHBondContact O-OG 2.82Å; D25-K29 PolarHBondContact O-N 2.75Å
26F88.6Confident88.1Confident1 Ų160.9 Ų60.90%0.00431%0.314CS..Hα-helixtrans-50.7-37.2-178.5-178.7-85.5000112.4F10 D13 D17 S24 S28 K29 I30 R191 Q195F10-F26 HydrophobicContact CD2-CE2 4.45Å; F10-F26 HydrophobicContact CE2-CE2 4.03Å; F10-F26 HydrophobicContact CE2-CZ 4.38Å; D13-F26 HydrophobicContact CB-CD2 4.18Å; D17-F26 HydrophobicContact CB-CB 3.97Å; D17-F26 HydrophobicContact CB-CG 4.31Å; D17-F26 WeakPolarHBondContact OD1-CB 3.21Å; S24-F26 PolarHBondContact O-N 3.16Å; S24-F26 VanDerWaalsContact OG-CB 3.29Å; S24-F26 WeakPolarHBondContact OG-CB 3.34Å; S24-F26 PolarHBondContact OG-N 3.01Å; F26-S28 VanDerWaalsContact C-N 3.25Å; F26-S28 PolarHBondContact O-N 3.44Å; F26-K29 PolarHBondContact O-N 3.14Å; F26-I30 HydrophobicContact CD1-CG1 4.28Å; F26-I30 HydrophobicContact CE1-CD1 4.32Å; F26-I30 HydrophobicContact CE1-CG1 3.99Å; F26-I30 PolarHBondContact O-N 2.83Å; F26-R191 HydrophobicContact CD1-CG 3.99Å; F26-R191 HydrophobicContact CE1-CG 4.06Å; F26-Q195 HydrophobicContact CE1-CG 3.78Å; F26-Q195 HydrophobicContact CE2-CG 3.8Å; F26-Q195 HydrophobicContact CZ-CG 3.33Å
27I85.1Confident88.1Confident50 Ų5058.1 Ų58.126%0.25630%0.3SS..Hα-helixtrans-58.4-35.2177.7-66.5176.4000112D25 T184D25-I27 PolarHBondContact O-N 3.35Å; I27-T184 HydrophobicContact CD1-CG2 4.39Å
28S85.3Confident88.1Confident85 Ų8562.5 Ų62.559%0.59432%0.317SS*.Hα-helixtrans-74-30.3176.475.50000112.6D25 F26 I30D25-S28 WeakPolarHBondContact O-CB 3.45Å; D25-S28 PolarHBondContact O-N 3.16Å; D25-S28 PolarHBondContact O-OG 2.82Å; F26-S28 VanDerWaalsContact C-N 3.25Å; F26-S28 PolarHBondContact O-N 3.44Å; S28-I30 PolarHBondContact O-N 2.98Å
29K88.7Confident88.1Confident62 Ų6261.8 Ų61.827%0.2732%0.316SS..Hα-helixtrans-82.6-4.7-177-67.9-175.2168.4-175.70115L5 D13 D25 F26 S31 S32 V33L5-K29 HydrophobicContact CD1-CD 4.48Å; D13-K29 IonicContact OD1-NZ 2.68Å; D13-K29 PolarHBondContact OD1-NZ 2.62Å; D13-K29 WeakPolarHBondContact OD2-CD 3.25Å; D13-K29 WeakPolarHBondContact OD2-CE 3.23Å; D13-K29 IonicContact OD2-NZ 2.83Å; D13-K29 PolarHBondContact OD2-NZ 3.4Å; D25-K29 PolarHBondContact O-N 2.75Å; F26-K29 PolarHBondContact O-N 3.14Å; K29-S31 PolarHBondContact O-N 3.47Å; K29-S31 VanDerWaalsContact O-N 3.12Å; K29-S32 WeakPolarHBondContact O-CB 3.45Å; K29-S32 PolarHBondContact O-N 3.11Å; K29-V33 PolarHBondContact O-N 2.79Å
30I89.8Confident88.1Confident14 Ų1455.2 Ų55.27%0.07229%0.293CS..Hα-helixtrans-56-32.1179.6-68.4175.8000112.4F26 S28 V33 R34 L150 Y153 L194F26-I30 HydrophobicContact CD1-CG1 4.28Å; F26-I30 HydrophobicContact CE1-CD1 4.32Å; F26-I30 HydrophobicContact CE1-CG1 3.99Å; F26-I30 PolarHBondContact O-N 2.83Å; S28-I30 PolarHBondContact O-N 2.98Å; I30-V33 PolarHBondContact O-N 2.72Å; I30-R34 PolarHBondContact O-N 2.73Å; I30-L150 HydrophobicContact CG2-CD1 3.9Å; I30-Y153 HydrophobicContact CD1-CD1 4.13Å; I30-Y153 HydrophobicContact CD1-CE1 3.39Å; I30-Y153 HydrophobicContact CD1-CE2 4.08Å; I30-Y153 WeakPolarHBondContact CD1-OH 3.42Å; I30-L194 HydrophobicContact CD1-CD2 4.21Å; I30-L194 HydrophobicContact CG1-CD2 4.35Å; I30-L194 HydrophobicContact CG2-CD2 4.03Å
31S88.3Confident88.1Confident66 Ų6652.7 Ų52.746%0.46228%0.283SS..Hα-helixtrans-65.7-40.4173.6-59.50000113.2K29 R34 C35K29-S31 PolarHBondContact O-N 3.47Å; K29-S31 VanDerWaalsContact O-N 3.12Å; S31-R34 PolarHBondContact O-N 2.85Å; S31-C35 PolarHBondContact O-N 3.07Å; S31-C35 PolarHBondContact O-SG 2.87Å; S31-C35 VanDerWaalsContact O-SG 3.38Å
32S90.1Very high88.4Confident22 Ų2257.3 Ų57.315%0.15430%0.301CS..Hα-helixtrans-68.6-37.3173.6-73.80000112.2P2 D3 K29 R34 C35 T36P2-S32 WeakPolarHBondContact CB-OG 3.45Å; D3-S32 WeakPolarHBondContact O-CB 3.41Å; D3-S32 PolarHBondContact O-OG 2.87Å; K29-S32 WeakPolarHBondContact O-CB 3.45Å; K29-S32 PolarHBondContact O-N 3.11Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.76Å; S32-C35 PolarHBondContact O-N 3.28Å; S32-T36 WeakPolarHBondContact O-CB 3.41Å; S32-T36 PolarHBondContact O-N 3.22Å; S32-T36 PolarHBondContact O-OG1 3.28Å
33V91.9Very high88.7Confident5 Ų554.1 Ų54.13%0.0329%0.291CS..Hα-helixtrans-59.7-44.7172.2177.10000110.8L5 F10 K29 I30 T36 V37 F146 T198L5-V33 HydrophobicContact CD2-CG2 3.94Å; F10-V33 HydrophobicContact CD2-CG2 4.06Å; F10-V33 HydrophobicContact CE2-CG2 4.36Å; K29-V33 PolarHBondContact O-N 2.79Å; I30-V33 PolarHBondContact O-N 2.72Å; V33-T36 PolarHBondContact O-N 3Å; V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 3.21Å; V33-F146 HydrophobicContact CG1-CE2 4.03Å; V33-F146 HydrophobicContact CG1-CZ 4.37Å; V33-T198 HydrophobicContact CG1-CG2 3.74Å
34R92.4Very high89Confident75 Ų7546.8 Ų46.828%0.28326%0.26SS..Hα-helixtrans-58.1-49.7172.4-179.6-172.9-110.2133.12.9111.6I30 S31 S32 T36 V37 Y38 L150 E154I30-R34 PolarHBondContact O-N 2.73Å; S31-R34 PolarHBondContact O-N 2.85Å; S32-R34 VanDerWaalsContact C-N 3.34Å; S32-R34 PolarHBondContact O-N 2.76Å; R34-T36 VanDerWaalsContact C-N 3.34Å; R34-T36 PolarHBondContact O-N 3.45Å; R34-V37 PolarHBondContact O-N 3.22Å; R34-Y38 HydrophobicContact CG-CD2 3.85Å; R34-Y38 HydrophobicContact CG-CE2 3.75Å; R34-Y38 WeakPolarHBondContact O-CD2 3.36Å; R34-Y38 PolarHBondContact O-N 2.93Å; R34-L150 HydrophobicContact CB-CD2 4.24Å; R34-L150 HydrophobicContact CG-CD2 4.09Å; R34-E154 IonicContact CZ-OE1 2.68Å; R34-E154 VanDerWaalsContact CZ-OE1 3.28Å; R34-E154 IonicContact CZ-OE2 3.56Å; R34-E154 IonicContact NH1-OE1 3.41Å; R34-E154 PolarHBondContact NH1-OE1 2.8Å; R34-E154 IonicContact NH1-OE2 3.63Å; R34-E154 IonicContact NH2-OE1 3.06Å; R34-E154 PolarHBondContact NH2-OE1 3.47Å; R34-E154 IonicContact NH2-OE2 2.78Å; R34-E154 PolarHBondContact NH2-OE2 3.48Å
35C91.7Very high89.1Confident31 Ų3150.4 Ų50.421%0.20928%0.275CS..Hα-helixtrans-59.6-43.5-179.8-72.10000112.4S31 S32 Y38 S39S31-C35 PolarHBondContact O-N 3.07Å; S31-C35 PolarHBondContact O-SG 2.87Å; S31-C35 VanDerWaalsContact O-SG 3.38Å; S32-C35 PolarHBondContact O-N 3.28Å; C35-Y38 PolarHBondContact O-N 3.45Å; C35-S39 WeakPolarHBondContact O-CB 3.49Å; C35-S39 PolarHBondContact O-N 3.37Å
36T91.8Very high89.4Confident20 Ų2048.9 Ų48.912%0.12327%0.27CS..Hα-helixtrans-60.5-50.3177.5-50.60000111.5L5 S32 V33 R34 Y38 S39 L40L5-T36 PolarHBondContact N-OG1 3.3Å; L5-T36 VanDerWaalsContact O-CG2 3.28Å; L5-T36 WeakPolarHBondContact O-CG2 3.48Å; L5-T36 PolarHBondContact O-OG1 2.99Å; S32-T36 WeakPolarHBondContact O-CB 3.41Å; S32-T36 PolarHBondContact O-N 3.22Å; S32-T36 PolarHBondContact O-OG1 3.28Å; V33-T36 PolarHBondContact O-N 3Å; R34-T36 VanDerWaalsContact C-N 3.34Å; R34-T36 PolarHBondContact O-N 3.45Å; T36-Y38 PolarHBondContact O-N 3.08Å; T36-S39 PolarHBondContact O-N 3.38Å; T36-L40 HydrophobicContact CG2-CD1 4.24Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.98Å
37V92.1Very high89.2Confident2 Ų250.1 Ų50.11%0.01228%0.277CS..Hα-helixtrans-66.7-36.3-177.9169.10000112V33 R34 D41 K143 F146 T198 Y201V33-V37 WeakPolarHBondContact O-CG2 3.33Å; V33-V37 PolarHBondContact O-N 3.21Å; R34-V37 PolarHBondContact O-N 3.22Å; V37-D41 WeakPolarHBondContact O-CB 3.34Å; V37-D41 PolarHBondContact O-N 2.86Å; V37-D41 VanDerWaalsContact O-N 3.16Å; V37-K143 HydrophobicContact CG1-CD 3.88Å; V37-K143 HydrophobicContact CG1-CG 4.28Å; V37-F146 HydrophobicContact CB-CD1 4.26Å; V37-F146 HydrophobicContact CB-CE1 3.84Å; V37-F146 HydrophobicContact CB-CE2 4.33Å; V37-F146 HydrophobicContact CB-CZ 3.88Å; V37-F146 HydrophobicContact CG1-CD1 3.42Å; V37-F146 VanDerWaalsContact CG1-CD1 3.42Å; V37-F146 HydrophobicContact CG1-CD2 4.3Å; V37-F146 HydrophobicContact CG1-CE1 3.48Å; V37-F146 VanDerWaalsContact CG1-CE1 3.48Å; V37-F146 HydrophobicContact CG1-CE2 4.35Å; V37-F146 HydrophobicContact CG1-CG 3.85Å; V37-F146 HydrophobicContact CG1-CZ 3.96Å; V37-F146 HydrophobicContact CG2-CD2 4.31Å; V37-F146 HydrophobicContact CG2-CE1 4.36Å; V37-F146 HydrophobicContact CG2-CE2 3.95Å; V37-F146 HydrophobicContact CG2-CZ 3.98Å; V37-T198 HydrophobicContact CG2-CG2 4.19Å; V37-Y201 HydrophobicContact CB-CD1 4.47Å; V37-Y201 HydrophobicContact CB-CE1 4.3Å; V37-Y201 HydrophobicContact CG1-CD1 3.95Å; V37-Y201 HydrophobicContact CG1-CE1 3.77Å; V37-Y201 HydrophobicContact CG1-CG 4.41Å; V37-Y201 HydrophobicContact CG2-CD1 4.04Å; V37-Y201 HydrophobicContact CG2-CE1 4.3Å; V37-Y201 PolarHBondContact O-OH 3.39Å
38Y91.4Very high89.2Confident91 Ų9150.8 Ų50.836%0.35728%0.276SS..Hα-helixtrans-70.6-37.1174.6-83.3-116.6000112.7R34 C35 T36 D41 E42 K143 F146R34-Y38 HydrophobicContact CG-CD2 3.85Å; R34-Y38 HydrophobicContact CG-CE2 3.75Å; R34-Y38 WeakPolarHBondContact O-CD2 3.36Å; R34-Y38 PolarHBondContact O-N 2.93Å; C35-Y38 PolarHBondContact O-N 3.45Å; T36-Y38 PolarHBondContact O-N 3.08Å; Y38-D41 WeakPolarHBondContact O-CB 3.18Å; Y38-D41 PolarHBondContact O-N 3.17Å; Y38-E42 PolarHBondContact O-N 3.44Å; Y38-K143 HydrophobicContact CD2-CD 4.27Å; Y38-K143 VanDerWaalsContact CD2-CE 3.49Å; Y38-K143 HydrophobicContact CE2-CD 4.4Å; Y38-K143 VanDerWaalsContact CE2-CE 3.45Å; Y38-F146 HydrophobicContact CE2-CE1 4.36Å
39S90.9Very high89.3Confident69 Ų6949.7 Ų49.748%0.48326%0.264SS..Hα-helixtrans-67.2-36.9176.3179.50000112.6C35 T36 G43C35-S39 WeakPolarHBondContact O-CB 3.49Å; C35-S39 PolarHBondContact O-N 3.37Å; T36-S39 PolarHBondContact O-N 3.38Å; S39-G43 PolarHBondContact O-N 2.87Å
40L90.5Very high89.3Confident34 Ų3450.4 Ų50.418%0.17827%0.273CS..Hα-helixtrans-67.3-36173.3-69.8173.6000112.6T36 G43 L44 Y201 L202 V205T36-L40 HydrophobicContact CG2-CD1 4.24Å; T36-L40 WeakPolarHBondContact O-CG 3.37Å; T36-L40 PolarHBondContact O-N 2.98Å; L40-G43 PolarHBondContact O-N 3.41Å; L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 2.7Å; L40-Y201 HydrophobicContact CB-CE1 4.05Å; L40-Y201 HydrophobicContact CD1-CE1 4.26Å; L40-L202 HydrophobicContact CD1-CD2 3.54Å; L40-V205 HydrophobicContact CB-CG1 4.48Å; L40-V205 HydrophobicContact CD1-CG1 4.44Å; L40-V205 HydrophobicContact CD2-CG1 4.23Å
41D89.5Confident89.1Confident49 Ų4950.2 Ų50.226%0.26227%0.272SS..Hα-helixtrans-65.2-45.2176.3-153.253.3000111.4V37 Y38 L44 E45 K143 Y201V37-D41 WeakPolarHBondContact O-CB 3.34Å; V37-D41 PolarHBondContact O-N 2.86Å; V37-D41 VanDerWaalsContact O-N 3.16Å; Y38-D41 WeakPolarHBondContact O-CB 3.18Å; Y38-D41 PolarHBondContact O-N 3.17Å; D41-L44 PolarHBondContact O-N 3.4Å; D41-E45 PolarHBondContact O-N 2.82Å; D41-K143 HydrophobicContact CB-CD 3.84Å; D41-K143 WeakPolarHBondContact OD1-CB 3.37Å; D41-K143 WeakPolarHBondContact OD2-CD 3.22Å; D41-K143 WeakPolarHBondContact OD2-CE 3.47Å; D41-K143 IonicContact OD2-NZ 3.5Å; D41-K143 PolarHBondContact OD2-NZ 3.04Å; D41-Y201 WeakPolarHBondContact CA-OH 3.36Å; D41-Y201 PolarHBondContact N-OH 3.37Å; D41-Y201 PolarHBondContact OD1-OH 3.49Å
42E89Confident89.1Confident136 Ų13649.2 Ų49.264%0.63626%0.263SS*.Hα-helixtrans-60.9-45.1173.7-177172.3-160.200111.4Y38 L44 E45 T46Y38-E42 PolarHBondContact O-N 3.44Å; E42-L44 PolarHBondContact O-N 3.41Å; E42-E45 PolarHBondContact O-N 3.33Å; E42-T46 WeakPolarHBondContact O-CG2 3.46Å; E42-T46 PolarHBondContact O-N 3.36Å
43G88.4Confident89.2Confident28 Ų2856.3 Ų56.329%0.28929%0.286SS..Hα-helixtrans-54.7-50.4173.400000112.5S39 L40 E45 T46 D47S39-G43 PolarHBondContact O-N 2.87Å; L40-G43 PolarHBondContact O-N 3.41Å; G43-E45 VanDerWaalsContact C-N 3.31Å; G43-E45 PolarHBondContact O-N 2.97Å; G43-T46 PolarHBondContact O-N 2.79Å; G43-T46 VanDerWaalsContact O-N 3.13Å; G43-T46 PolarHBondContact O-OG1 3.44Å; G43-D47 PolarHBondContact O-N 2.65Å
44L87Confident89Confident12 Ų1258 Ų586%0.06330%0.299CS..Hα-helixtrans-62.5-33.2178.3-73.9175000113.4L40 D41 E42 R48 L142 V205 L208L40-L44 WeakPolarHBondContact O-CG 3.36Å; L40-L44 PolarHBondContact O-N 2.7Å; D41-L44 PolarHBondContact O-N 3.4Å; E42-L44 PolarHBondContact O-N 3.41Å; L44-R48 WeakPolarHBondContact O-CB 3.16Å; L44-R48 PolarHBondContact O-N 2.95Å; L44-L142 HydrophobicContact CD1-CD1 4.41Å; L44-V205 HydrophobicContact CD1-CG1 4.39Å; L44-V205 HydrophobicContact CD1-CG2 3.94Å; L44-L208 HydrophobicContact CD1-CD1 4.31Å; L44-L208 HydrophobicContact CD2-CD1 4.44Å
45E86.2Confident88.9Confident92 Ų9258.5 Ų58.543%0.4330%0.3SS..Hα-helixtrans-73.1-35.5173.8-174.955.7-149.600111.9D41 E42 G43 R48 N49D41-E45 PolarHBondContact O-N 2.82Å; E42-E45 PolarHBondContact O-N 3.33Å; G43-E45 VanDerWaalsContact C-N 3.31Å; G43-E45 PolarHBondContact O-N 2.97Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 WeakPolarHBondContact OE2-CD 3.42Å; E45-R48 IonicContact OE2-NE 3.18Å; E45-N49 PolarHBondContact O-N 3.01Å; E45-N49 PolarHBondContact O-ND2 3.16Å; E45-N49 PolarHBondContact OE1-ND2 3.19Å
46T88.2Confident89Confident83 Ų8364.3 Ų64.351%0.50932%0.322SS..Hα-helixtrans-63.1-42.9170.666.20000111.6E42 G43 R48 N49 V50E42-T46 WeakPolarHBondContact O-CG2 3.46Å; E42-T46 PolarHBondContact O-N 3.36Å; G43-T46 PolarHBondContact O-N 2.79Å; G43-T46 VanDerWaalsContact O-N 3.13Å; G43-T46 PolarHBondContact O-OG1 3.44Å; T46-R48 PolarHBondContact O-N 3.05Å; T46-N49 PolarHBondContact O-N 3.17Å; T46-V50 PolarHBondContact O-N 3.36Å
47D85Confident89Confident26 Ų2665.6 Ų65.614%0.13933%0.328CS..Hα-helixtrans-60.9-44.1175.8-70.8-34.3000111.8G43 N49 V50 L51 R212G43-D47 PolarHBondContact O-N 2.65Å; D47-N49 VanDerWaalsContact C-N 3.31Å; D47-N49 PolarHBondContact O-N 3.3Å; D47-V50 PolarHBondContact O-N 2.7Å; D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 2.88Å; D47-R212 IonicContact OD1-CZ 2.79Å; D47-R212 IonicContact OD1-NH1 2.69Å; D47-R212 PolarHBondContact OD1-NH1 2.87Å; D47-R212 IonicContact OD1-NH2 3.17Å; D47-R212 PolarHBondContact OD1-NH2 3.46Å; D47-R212 IonicContact OD2-CZ 3.75Å; D47-R212 IonicContact OD2-NE 2.62Å; D47-R212 IonicContact OD2-NH1 2.69Å; D47-R212 IonicContact OD2-NH2 2.77Å; D47-R212 PolarHBondContact OD2-NH2 2.91Å
48R85.3Confident89Confident65 Ų6565.9 Ų65.925%0.24533%0.33CS..Hα-helixtrans-54.6-47.1173-173.7-165.7-166.979.610.6111.2L44 E45 T46 V50 L51 V52 I138L44-R48 WeakPolarHBondContact O-CB 3.16Å; L44-R48 PolarHBondContact O-N 2.95Å; E45-R48 WeakPolarHBondContact O-CB 3.5Å; E45-R48 PolarHBondContact O-N 3.3Å; E45-R48 WeakPolarHBondContact OE2-CD 3.42Å; E45-R48 IonicContact OE2-NE 3.18Å; T46-R48 PolarHBondContact O-N 3.05Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 3.42Å; R48-L51 PolarHBondContact O-N 2.73Å; R48-V52 VanDerWaalsContact O-CG2 3.29Å; R48-V52 WeakPolarHBondContact O-CG2 3.34Å; R48-V52 PolarHBondContact O-N 3.41Å; R48-I138 HydrophobicContact CB-CG2 4.45Å; R48-I138 HydrophobicContact CG-CG2 4.48Å; R48-I138 PolarHBondContact NH1-O 3.06Å
49N87.5Confident89.2Confident62 Ų6265.4 Ų65.433%0.33233%0.329SS..Hα-helixtrans-68.8-30.5-178.7-80.9-76.7000113.2E45 T46 D47 R53E45-N49 PolarHBondContact O-N 3.01Å; E45-N49 PolarHBondContact O-ND2 3.16Å; E45-N49 PolarHBondContact OE1-ND2 3.19Å; T46-N49 PolarHBondContact O-N 3.17Å; D47-N49 VanDerWaalsContact C-N 3.31Å; D47-N49 PolarHBondContact O-N 3.3Å; N49-R53 WeakPolarHBondContact O-CD 3.33Å; N49-R53 VanDerWaalsContact O-CG 3.28Å; N49-R53 WeakPolarHBondContact O-CG 3.48Å; N49-R53 PolarHBondContact O-N 2.99Å
50V88.3Confident89.3Confident77 Ų7765.7 Ų65.747%0.46733%0.332SS..Hα-helixtrans-65.7-49.4170174.40000110.5T46 D47 R48 V52 R53 S54T46-V50 PolarHBondContact O-N 3.36Å; D47-V50 PolarHBondContact O-N 2.7Å; R48-V50 VanDerWaalsContact C-N 3.34Å; R48-V50 PolarHBondContact O-N 3.42Å; V50-V52 PolarHBondContact O-N 3.41Å; V50-R53 WeakPolarHBondContact O-CB 3.39Å; V50-R53 PolarHBondContact O-N 2.65Å; V50-S54 PolarHBondContact O-N 3.46Å; V50-S54 PolarHBondContact O-OG 3.12Å
51L86.1Confident89.4Confident10 Ų1065.8 Ų65.85%0.05233%0.333CS..Hα-helixtrans-60.5-41.3178.9-67.9168.1000112.6D47 R48 R53 S54 R55 M130 F133 M134 I138 R212 L216D47-L51 WeakPolarHBondContact O-CG 3.28Å; D47-L51 PolarHBondContact O-N 2.88Å; R48-L51 PolarHBondContact O-N 2.73Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 2.93Å; L51-S54 PolarHBondContact O-N 3.5Å; L51-R55 WeakPolarHBondContact O-CB 3.41Å; L51-R55 PolarHBondContact O-N 3.06Å; L51-M130 HydrophobicContact CD2-CG 4.46Å; L51-F133 HydrophobicContact CD1-CD1 4.18Å; L51-F133 HydrophobicContact CD1-CE1 4Å; L51-M134 HydrophobicContact CB-CG 4.3Å; L51-M134 HydrophobicContact CB-SD 4.01Å; L51-I138 HydrophobicContact CD1-CD1 3.73Å; L51-R212 HydrophobicContact CD1-CG 4.47Å; L51-L216 HydrophobicContact CD2-CD2 4.34Å
52V88.4Confident89.6Confident45 Ų4564 Ų6427%0.27332%0.324SS..Hα-helixtrans-57-40.1173170.70000112R48 V50 K56 M134R48-V52 VanDerWaalsContact O-CG2 3.29Å; R48-V52 WeakPolarHBondContact O-CG2 3.34Å; R48-V52 PolarHBondContact O-N 3.41Å; V50-V52 PolarHBondContact O-N 3.41Å; V52-K56 WeakPolarHBondContact O-CG 3.3Å; V52-M134 HydrophobicContact CB-CE 4.25Å; V52-M134 HydrophobicContact CG2-CE 3.39Å
53R90.9Very high89.9Confident171 Ų17159.3 Ų59.365%0.64531%0.309SS*.Hα-helixtrans-72.9-44.4178.8-70.7167.5-176.5172.12.5111.2N49 V50 L51 K56 L57N49-R53 WeakPolarHBondContact O-CD 3.33Å; N49-R53 VanDerWaalsContact O-CG 3.28Å; N49-R53 WeakPolarHBondContact O-CG 3.48Å; N49-R53 PolarHBondContact O-N 2.99Å; V50-R53 WeakPolarHBondContact O-CB 3.39Å; V50-R53 PolarHBondContact O-N 2.65Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 2.93Å; R53-K56 PolarHBondContact O-N 3.44Å; R53-L57 PolarHBondContact O-N 3.26Å
54S88.3Confident90.2Very high41 Ų4160.2 Ų60.229%0.28731%0.311SS..Hα-helixtrans-54.6-57.2175.6-59.30000110.4V50 L51 K56 L57 V58V50-S54 PolarHBondContact O-N 3.46Å; V50-S54 PolarHBondContact O-OG 3.12Å; L51-S54 PolarHBondContact O-N 3.5Å; S54-K56 PolarHBondContact O-N 3.09Å; S54-L57 PolarHBondContact O-N 3.05Å; S54-V58 WeakPolarHBondContact O-CB 3.18Å; S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.06Å
55R90.5Very high90.5Very high85 Ų8560 Ų6032%0.32131%0.312SS..Hα-helixtrans-45.9-38177.1-177.4-172.1168.4-165.78.4114.1L51 K59 M130 E131L51-R55 WeakPolarHBondContact O-CB 3.41Å; L51-R55 PolarHBondContact O-N 3.06Å; R55-K59 PolarHBondContact O-N 2.75Å; R55-M130 HydrophobicContact CB-SD 3.76Å; R55-E131 HydrophobicContact CG-CG 4.35Å; R55-E131 VanDerWaalsContact CZ-CD 3.45Å; R55-E131 IonicContact CZ-OE1 3.31Å; R55-E131 IonicContact CZ-OE2 2.69Å; R55-E131 VanDerWaalsContact NE-CD 3.26Å; R55-E131 IonicContact NE-OE1 2.63Å; R55-E131 PolarHBondContact NE-OE1 3.48Å; R55-E131 IonicContact NH2-OE1 3.14Å; R55-E131 PolarHBondContact NH2-OE1 2.97Å; R55-E131 IonicContact NH2-OE2 3.91Å; R55-E131 PolarHBondContact NH2-OE2 2.77Å; R55-E131 VanDerWaalsContact NH2-OE2 3.1Å
56K93.2Very high90.9Very high152 Ų15258 Ų5866%0.66130%0.304SS*.Hα-helixtrans-72.3-44178.9-72179.9178.5-174.30112.9V52 R53 S54 S60V52-K56 WeakPolarHBondContact O-CG 3.3Å; R53-K56 PolarHBondContact O-N 3.44Å; S54-K56 PolarHBondContact O-N 3.09Å; K56-S60 PolarHBondContact O-N 2.73Å
57L92.5Very high91.1Very high48 Ų4854.2 Ų54.225%0.25128%0.28SS..Hα-helixtrans-64.4-48.2176.2-60.9169.1000110.4R53 S54 K59 S60 V61 S1324 L1325R53-L57 PolarHBondContact O-N 3.26Å; S54-L57 PolarHBondContact O-N 3.05Å; L57-K59 PolarHBondContact O-N 2.97Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 3.02Å; L57-V61 PolarHBondContact O-N 2.95Å; L57-S1324 WeakPolarHBondContact CB-OG 3.48Å; L57-S1324 PolarHBondContact O-OG 3.15Å; L57-L1325 HydrophobicContact CD2-CD1 4.48Å
58V92.2Very high91.6Very high8 Ų857.8 Ų57.85%0.04829%0.293CS..Hα-helixtrans-45.4-53.5172.2158.30000111.5S54 L122 V127 M130 P1322 S1324S54-V58 WeakPolarHBondContact O-CB 3.18Å; S54-V58 WeakPolarHBondContact O-CG2 3.42Å; S54-V58 PolarHBondContact O-N 3.06Å; V58-L122 HydrophobicContact CB-CD2 3.76Å; V58-L122 HydrophobicContact CG1-CD2 3.5Å; V58-L122 HydrophobicContact CG1-CG 4.41Å; V58-L122 HydrophobicContact CG2-CD2 3.6Å; V58-V127 HydrophobicContact CG1-CG2 3.49Å; V58-V127 VanDerWaalsContact CG1-CG2 3.49Å; V58-M130 HydrophobicContact CG2-CE 4.31Å; V58-P1322 HydrophobicContact CG1-CG 3.78Å; V58-S1324 PolarHBondContact N-OG 3.39Å
59K94.7Very high92Very high80 Ų8054.7 Ų54.735%0.34828%0.281SS..Hα-helixtrans-71-30.6176.6-78.1-161.7172-175.10114.8R55 L57 V61 V62 A63 V127 E131R55-K59 PolarHBondContact O-N 2.75Å; L57-K59 PolarHBondContact O-N 2.97Å; K59-V61 PolarHBondContact O-N 3.02Å; K59-V62 PolarHBondContact O-N 2.88Å; K59-A63 PolarHBondContact O-N 2.86Å; K59-V127 HydrophobicContact CG-CG2 3.99Å; K59-E131 WeakPolarHBondContact CE-OE1 3.48Å; K59-E131 IonicContact NZ-OE1 3.28Å; K59-E131 PolarHBondContact NZ-OE1 3.3Å; K59-E131 IonicContact NZ-OE2 3.36Å
60S93.2Very high92.3Very high76 Ų7655.7 Ų55.753%0.53128%0.284SS..Hα-helixtrans-61.5-35179.7-1650000112.1K56 L57 S64K56-S60 PolarHBondContact O-N 2.73Å; L57-S60 WeakPolarHBondContact O-CB 3.44Å; L57-S60 PolarHBondContact O-N 3.02Å; S60-S64 PolarHBondContact O-N 3.02Å
61V93.1Very high92.5Very high35 Ų3556.8 Ų56.821%0.21228%0.284CS..Hα-helixtrans-76.5-37.5179.8-177.30000112.1L57 K59 A63 S64 G65 S1323 L1325L57-V61 PolarHBondContact O-N 2.95Å; K59-V61 PolarHBondContact O-N 3.02Å; V61-A63 VanDerWaalsContact C-N 3.28Å; V61-A63 PolarHBondContact O-N 3.09Å; V61-S64 WeakPolarHBondContact CA-OG 3.37Å; V61-S64 PolarHBondContact O-N 2.86Å; V61-S64 VanDerWaalsContact O-N 3.15Å; V61-S64 PolarHBondContact O-OG 3.27Å; V61-G65 PolarHBondContact O-N 2.84Å; V61-S1323 VanDerWaalsContact CB-OG 3.26Å; V61-S1323 WeakPolarHBondContact CB-OG 3.29Å; V61-S1323 WeakPolarHBondContact CG2-OG 3.34Å; V61-L1325 HydrophobicContact CG2-CD1 3.92Å; V61-L1325 HydrophobicContact CG2-CG 4.49Å
62V94.4Very high92.9Very high12 Ų1257.7 Ų57.77%0.07329%0.288CS..Hα-helixtrans-52.7-47.5172170.90000110.9K59 G65 I66 M119 L122 P1322K59-V62 PolarHBondContact O-N 2.88Å; V62-G65 PolarHBondContact O-N 3.27Å; V62-I66 HydrophobicContact CG1-CD1 3.9Å; V62-I66 WeakPolarHBondContact O-CG1 3.48Å; V62-I66 PolarHBondContact O-N 3.44Å; V62-I66 VanDerWaalsContact O-N 3.1Å; V62-M119 WeakPolarHBondContact CG1-O 3.37Å; V62-L122 HydrophobicContact CG2-CB 4.01Å; V62-P1322 HydrophobicContact CG2-CB 3.73Å; V62-P1322 HydrophobicContact CG2-CG 3.89Å
63A94.4Very high93.2Very high38 Ų3857 Ų5731%0.31428%0.284SS..Hα-helixtrans-60.6-46.817800000112.3K59 V61 G65 I66 A67K59-A63 PolarHBondContact O-N 2.86Å; V61-A63 VanDerWaalsContact C-N 3.28Å; V61-A63 PolarHBondContact O-N 3.09Å; A63-G65 PolarHBondContact O-N 3.17Å; A63-I66 PolarHBondContact O-N 3.43Å; A63-A67 PolarHBondContact O-N 3.25Å; A63-A67 VanDerWaalsContact O-N 3.1Å
64S94Very high93.4Very high46 Ų4653.8 Ų53.832%0.32228%0.279SS..Hα-helixtrans-64-36.8-179.560.40000113.8S60 V61 Y68 P1230S60-S64 PolarHBondContact O-N 3.02Å; V61-S64 WeakPolarHBondContact CA-OG 3.37Å; V61-S64 PolarHBondContact O-N 2.86Å; V61-S64 VanDerWaalsContact O-N 3.15Å; V61-S64 PolarHBondContact O-OG 3.27Å; S64-Y68 PolarHBondContact O-N 2.74Å; S64-P1230 WeakPolarHBondContact CA-O 3.34Å
65G93.4Very high93.6Very high9 Ų955.7 Ų55.79%0.09329%0.286CS..Hα-helixtrans-79.6-27.3179.800000114.1V61 V62 A63 Y68 A69V61-G65 PolarHBondContact O-N 2.84Å; V62-G65 PolarHBondContact O-N 3.27Å; A63-G65 PolarHBondContact O-N 3.17Å; G65-Y68 WeakPolarHBondContact O-CB 3.15Å; G65-Y68 PolarHBondContact O-N 3.48Å; G65-A69 PolarHBondContact O-N 2.9Å
66I94.8Very high93.9Very high50 Ų5051.6 Ų51.626%0.25627%0.27SS..Hα-helixtrans-63.6-50.4167.1-69.8169.6000109.2V62 A63 Y68 A69 E70 M119V62-I66 HydrophobicContact CG1-CD1 3.9Å; V62-I66 WeakPolarHBondContact O-CG1 3.48Å; V62-I66 PolarHBondContact O-N 3.44Å; V62-I66 VanDerWaalsContact O-N 3.1Å; A63-I66 PolarHBondContact O-N 3.43Å; I66-Y68 PolarHBondContact O-N 2.95Å; I66-A69 PolarHBondContact O-N 2.77Å; I66-A69 VanDerWaalsContact O-N 3.16Å; I66-E70 WeakPolarHBondContact O-CG 3.26Å; I66-E70 PolarHBondContact O-N 3.47Å; I66-E70 VanDerWaalsContact O-N 3.11Å; I66-M119 HydrophobicContact CG1-CB 3.82Å
67A93.6Very high93.9Very high2 Ų248.1 Ų48.12%0.01726%0.259CS..Hα-helixtrans-61.1-31.217800000112.9A63 E70 Q71A63-A67 PolarHBondContact O-N 3.25Å; A63-A67 VanDerWaalsContact O-N 3.1Å; A67-E70 PolarHBondContact O-N 3.39Å; A67-Q71 WeakPolarHBondContact O-CG 3.4Å; A67-Q71 PolarHBondContact O-N 3.02Å
68Y94.1Very high93.9Very high102 Ų10251.4 Ų51.440%0.427%0.271SS..Hα-helixtrans-58.2-54.7172.4173.4-84.5000111.8S64 G65 I66 E70 Q71 I72 T115 I1232S64-Y68 PolarHBondContact O-N 2.74Å; G65-Y68 WeakPolarHBondContact O-CB 3.15Å; G65-Y68 PolarHBondContact O-N 3.48Å; I66-Y68 PolarHBondContact O-N 2.95Å; Y68-E70 PolarHBondContact O-N 2.99Å; Y68-Q71 PolarHBondContact O-N 2.82Å; Y68-I72 HydrophobicContact CD1-CG1 4.28Å; Y68-I72 HydrophobicContact CE1-CG1 3.84Å; Y68-I72 PolarHBondContact O-N 3.15Å; Y68-I72 VanDerWaalsContact O-N 3.17Å; Y68-T115 HydrophobicContact CD1-CG2 3.78Å; Y68-T115 HydrophobicContact CE1-CG2 4.18Å; Y68-I1232 VanDerWaalsContact CA-CG1 3.49Å; Y68-I1232 HydrophobicContact CD2-CD1 3.38Å; Y68-I1232 HydrophobicContact CD2-CG1 3.72Å; Y68-I1232 HydrophobicContact CD2-CG2 4.17Å; Y68-I1232 HydrophobicContact CE2-CD1 3.92Å; Y68-I1232 HydrophobicContact CG-CD1 3.9Å; Y68-I1232 HydrophobicContact CG-CG1 4.17Å
69A94.1Very high94Very high0 Ų052.3 Ų52.30%028%0.276CS..Hα-helixtrans-69.9-22.7-17700000113.3G65 I66 T73 A112 K116G65-A69 PolarHBondContact O-N 2.9Å; I66-A69 PolarHBondContact O-N 2.77Å; I66-A69 VanDerWaalsContact O-N 3.16Å; A69-T73 PolarHBondContact O-N 2.95Å; A69-T73 PolarHBondContact O-OG1 3.02Å; A69-A112 HydrophobicContact CB-CB 4.14Å; A69-A112 VanDerWaalsContact CB-O 3.24Å; A69-A112 WeakPolarHBondContact CB-O 3.36Å; A69-K116 HydrophobicContact CB-CD 4.13Å; A69-K116 HydrophobicContact CB-CG 3.49Å; A69-K116 VanDerWaalsContact CB-CG 3.49Å
70E94.5Very high93.9Very high83 Ų8351.6 Ų51.639%0.38827%0.274SS..Hα-helixtrans-65.7-46170-70.7175.3153.500111.7I66 A67 Y68 T73 L74 S1229I66-E70 WeakPolarHBondContact O-CG 3.26Å; I66-E70 PolarHBondContact O-N 3.47Å; I66-E70 VanDerWaalsContact O-N 3.11Å; A67-E70 PolarHBondContact O-N 3.39Å; Y68-E70 PolarHBondContact O-N 2.99Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.75Å; E70-T73 VanDerWaalsContact O-N 3.16Å; E70-L74 PolarHBondContact O-N 3.26Å; E70-S1229 WeakPolarHBondContact OE2-CB 3.47Å; E70-S1229 PolarHBondContact OE2-OG 3.03Å
71Q93.2Very high93.8Very high99 Ų9956.9 Ų56.946%0.46328%0.282SS..Hα-helixtrans-66-39.6178.2-63.8-58.1-42.700112.7A67 Y68 T73 L74 L75 I1232A67-Q71 WeakPolarHBondContact O-CG 3.4Å; A67-Q71 PolarHBondContact O-N 3.02Å; Y68-Q71 PolarHBondContact O-N 2.82Å; Q71-T73 VanDerWaalsContact C-N 3.26Å; Q71-T73 PolarHBondContact O-N 2.83Å; Q71-L74 PolarHBondContact O-N 3.42Å; Q71-L75 PolarHBondContact O-N 3.47Å; Q71-I1232 HydrophobicContact CB-CD1 3.74Å; Q71-I1232 HydrophobicContact CB-CG1 4.25Å; Q71-I1232 HydrophobicContact CG-CD1 4.27Å; Q71-I1232 HydrophobicContact CG-CG1 4.22Å
72I93.6Very high93.6Very high30 Ų3058.2 Ų58.215%0.15429%0.288CS..Hα-helixtrans-62.5-34.9173.6-58.9-61.5000111.2Y68 L74 L75 C76 H108 A112Y68-I72 HydrophobicContact CD1-CG1 4.28Å; Y68-I72 HydrophobicContact CE1-CG1 3.84Å; Y68-I72 PolarHBondContact O-N 3.15Å; Y68-I72 VanDerWaalsContact O-N 3.17Å; I72-L74 PolarHBondContact O-N 2.68Å; I72-L75 PolarHBondContact O-N 3.09Å; I72-C76 PolarHBondContact O-N 3.45Å; I72-C76 PolarHBondContact O-SG 3.47Å; I72-H108 HydrophobicContact CG2-CB 3.96Å; I72-H108 WeakPolarHBondContact CG2-O 3.34Å; I72-A112 HydrophobicContact CB-CB 4.04Å; I72-A112 HydrophobicContact CG2-CB 3.9Å
73T94.5Very high93.4Very high30 Ų3057.7 Ų57.718%0.18429%0.285CS..Hα-helixtrans-61.6-43.7176.4-50.10000111A69 E70 Q71 L75 C76 D77 K116A69-T73 PolarHBondContact O-N 2.95Å; A69-T73 PolarHBondContact O-OG1 3.02Å; E70-T73 WeakPolarHBondContact O-CB 3.43Å; E70-T73 PolarHBondContact O-N 2.75Å; E70-T73 VanDerWaalsContact O-N 3.16Å; Q71-T73 VanDerWaalsContact C-N 3.26Å; Q71-T73 PolarHBondContact O-N 2.83Å; T73-L75 VanDerWaalsContact C-N 3.3Å; T73-L75 PolarHBondContact O-N 2.75Å; T73-C76 WeakPolarHBondContact O-CB 3.28Å; T73-C76 PolarHBondContact O-N 2.95Å; T73-C76 VanDerWaalsContact O-N 3.16Å; T73-D77 PolarHBondContact O-N 3.01Å; T73-K116 PolarHBondContact OG1-NZ 3.25Å
74L94.2Very high93.1Very high103 Ų10360.6 Ų60.654%0.53929%0.292SS..Hα-helixtrans-64.9-30.3179.4-66.4171.4000113.4E70 Q71 I72 F78E70-L74 PolarHBondContact O-N 3.26Å; Q71-L74 PolarHBondContact O-N 3.42Å; I72-L74 PolarHBondContact O-N 2.68Å; L74-F78 PolarHBondContact O-N 2.83Å
75L94.1Very high92.8Very high81 Ų8162.2 Ų62.242%0.42430%0.296SS..Hα-helixtrans-67-39.8173.717860.8000111.7Q71 I72 T73 D77 F78 L79Q71-L75 PolarHBondContact O-N 3.47Å; I72-L75 PolarHBondContact O-N 3.09Å; T73-L75 VanDerWaalsContact C-N 3.3Å; T73-L75 PolarHBondContact O-N 2.75Å; L75-D77 PolarHBondContact O-N 2.89Å; L75-F78 PolarHBondContact O-N 2.84Å; L75-L79 HydrophobicContact CG-CD1 4.48Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 3.37Å; L75-L79 VanDerWaalsContact O-N 3.07Å
76C95.4Very high92.4Very high0 Ų062.6 Ų62.60%030%0.299CS..Hα-helixtrans-60.4-46178.7-58.50000111.3I72 T73 F78 L79 E80 S105 R109I72-C76 PolarHBondContact O-N 3.45Å; I72-C76 PolarHBondContact O-SG 3.47Å; T73-C76 WeakPolarHBondContact O-CB 3.28Å; T73-C76 PolarHBondContact O-N 2.95Å; T73-C76 VanDerWaalsContact O-N 3.16Å; C76-F78 PolarHBondContact O-N 3.17Å; C76-L79 PolarHBondContact O-N 2.89Å; C76-L79 VanDerWaalsContact O-N 3.16Å; C76-E80 PolarHBondContact O-N 3.12Å; C76-E80 VanDerWaalsContact O-N 3.08Å; C76-S105 WeakPolarHBondContact CB-OG 3.37Å; C76-S105 PolarHBondContact O-OG 3.36Å; C76-S105 PolarHBondContact SG-O 3.47Å; C76-S105 VanDerWaalsContact SG-O 3.39Å; C76-R109 HydrophobicContact CB-CB 4.35Å; C76-R109 PolarHBondContact SG-N 3.25Å; C76-R109 VanDerWaalsContact SG-N 3.44Å
77D93.9Very high91.9Very high78 Ų7864.4 Ų64.442%0.41731%0.308SS..Hα-helixtrans-62.5-28.7178.7-57.3-8.2000112.4T73 L75 R81 R109T73-D77 PolarHBondContact O-N 3.01Å; L75-D77 PolarHBondContact O-N 2.89Å; D77-R81 PolarHBondContact O-N 3.43Å; D77-R109 IonicContact OD1-CZ 3.07Å; D77-R109 IonicContact OD1-NE 2.68Å; D77-R109 IonicContact OD1-NH2 2.89Å; D77-R109 PolarHBondContact OD1-NH2 3.06Å
78F92.7Very high91.3Very high117 Ų11768 Ų6851%0.51333%0.325SS..Hα-helixtrans-76.6-40.6174.1179-104.9000112.7L74 L75 C76 E80 R81 L82L74-F78 PolarHBondContact O-N 2.83Å; L75-F78 PolarHBondContact O-N 2.84Å; C76-F78 PolarHBondContact O-N 3.17Å; F78-E80 VanDerWaalsContact C-N 3.34Å; F78-E80 PolarHBondContact O-N 2.58Å; F78-R81 WeakPolarHBondContact O-CB 3.42Å; F78-R81 PolarHBondContact O-N 3.38Å; F78-R81 VanDerWaalsContact O-N 3.17Å; F78-L82 HydrophobicContact CD1-CD1 4.09Å; F78-L82 HydrophobicContact CE1-CD1 3.53Å; F78-L82 HydrophobicContact CE1-CG 4.09Å; F78-L82 HydrophobicContact CZ-CD1 3.97Å; F78-L82 HydrophobicContact CZ-CD2 4.28Å; F78-L82 HydrophobicContact CZ-CG 4.14Å; F78-L82 PolarHBondContact O-N 2.81Å
79L93.4Very high90.2Very high27 Ų2764 Ų6414%0.14132%0.315CS..Hα-helixtrans-61.3-41.8175.6-68.4172.3000111.6L75 C76 R81 L82 G83 L101 F104L75-L79 HydrophobicContact CG-CD1 4.48Å; L75-L79 WeakPolarHBondContact O-CG 3.39Å; L75-L79 PolarHBondContact O-N 3.37Å; L75-L79 VanDerWaalsContact O-N 3.07Å; C76-L79 PolarHBondContact O-N 2.89Å; C76-L79 VanDerWaalsContact O-N 3.16Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 2.8Å; L79-G83 PolarHBondContact O-N 2.8Å; L79-L101 HydrophobicContact CD2-CD2 3.98Å; L79-F104 HydrophobicContact CD1-CB 4.01Å
80E92.4Very high88.7Confident66 Ų6670.8 Ų70.831%0.30835%0.351SS..Hα-helixtrans-61.1-38.2174.2-78167.1-178.900112.3C76 F78 G83 Q84 S105 R109C76-E80 PolarHBondContact O-N 3.12Å; C76-E80 VanDerWaalsContact O-N 3.08Å; F78-E80 VanDerWaalsContact C-N 3.34Å; F78-E80 PolarHBondContact O-N 2.58Å; E80-G83 PolarHBondContact O-N 3.28Å; E80-Q84 PolarHBondContact O-N 3.14Å; E80-S105 WeakPolarHBondContact CG-OG 3.15Å; E80-S105 PolarHBondContact OE1-OG 2.66Å; E80-R109 VanDerWaalsContact CD-NH2 3.34Å; E80-R109 IonicContact OE1-CZ 3.49Å; E80-R109 IonicContact OE1-NH1 3.35Å; E80-R109 PolarHBondContact OE1-NH1 3.47Å; E80-R109 IonicContact OE1-NH2 2.89Å; E80-R109 PolarHBondContact OE1-NH2 3Å; E80-R109 IonicContact OE2-CZ 2.78Å; E80-R109 IonicContact OE2-NH1 2.72Å; E80-R109 IonicContact OE2-NH2 2.61Å; E80-R109 PolarHBondContact OE2-NH2 3Å
81R91.2Very high87.3Confident186 Ų18673 Ų7370%0.70236%0.361SS*.Hα-helixtrans-68.3-35.7176.3-165.5174.7-172.7172.72.6112.8D77 F78 L79 I85D77-R81 PolarHBondContact O-N 3.43Å; F78-R81 WeakPolarHBondContact O-CB 3.42Å; F78-R81 PolarHBondContact O-N 3.38Å; F78-R81 VanDerWaalsContact O-N 3.17Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3.37Å; R81-I85 WeakPolarHBondContact O-CG1 3.33Å; R81-I85 PolarHBondContact O-N 2.94Å; R81-I85 VanDerWaalsContact O-N 3.12Å
82L89.7Confident86.3Confident64 Ų6473.1 Ų73.134%0.33537%0.37SS..Hα-helixtrans-67.3-39.1171.1-71.2177000111.6F78 L79 I85 A86 L101F78-L82 HydrophobicContact CD1-CD1 4.09Å; F78-L82 HydrophobicContact CE1-CD1 3.53Å; F78-L82 HydrophobicContact CE1-CG 4.09Å; F78-L82 HydrophobicContact CZ-CD1 3.97Å; F78-L82 HydrophobicContact CZ-CD2 4.28Å; F78-L82 HydrophobicContact CZ-CG 4.14Å; F78-L82 PolarHBondContact O-N 2.81Å; L79-L82 PolarHBondContact O-N 2.8Å; L82-I85 WeakPolarHBondContact O-CB 3.22Å; L82-I85 PolarHBondContact O-N 2.96Å; L82-A86 PolarHBondContact O-N 3.1Å; L82-L101 HydrophobicContact CB-CD1 3.78Å
83G89.6Confident85.5Confident1 Ų173.6 Ų73.61%0.0137%0.373CS..Hα-helixtrans-61.6-46.3174.900000112.5L79 E80 I85 A86 L87 A98L79-G83 PolarHBondContact O-N 2.8Å; E80-G83 PolarHBondContact O-N 3.28Å; G83-I85 VanDerWaalsContact C-N 3.28Å; G83-I85 PolarHBondContact O-N 3.03Å; G83-A86 WeakPolarHBondContact O-CB 3.48Å; G83-A86 PolarHBondContact O-N 3.14Å; G83-A86 VanDerWaalsContact O-N 3.1Å; G83-L87 PolarHBondContact O-N 3.08Å; G83-A98 VanDerWaalsContact O-CB 3.3Å; G83-A98 WeakPolarHBondContact O-CB 3.3Å
84Q88.9Confident84.7Confident98 Ų9872.3 Ų72.346%0.45837%0.366SS..Hα-helixtrans-59.1-38.9173.9-179.756.639.500112.2E80 A86 L87 E88E80-Q84 PolarHBondContact O-N 3.14Å; Q84-A86 VanDerWaalsContact C-N 3.25Å; Q84-A86 PolarHBondContact O-N 3.36Å; Q84-L87 PolarHBondContact O-N 3.15Å; Q84-E88 PolarHBondContact NE2-OE1 2.84Å; Q84-E88 WeakPolarHBondContact O-CG 3.44Å; Q84-E88 PolarHBondContact O-N 3.43Å
85I87.8Confident84.3Confident80 Ų8072.4 Ų72.441%0.4137%0.367SS..Hα-helixtrans-61.3-32.1176.4-82167.6000112.7R81 L82 G83 K314R81-I85 WeakPolarHBondContact O-CG1 3.33Å; R81-I85 PolarHBondContact O-N 2.94Å; R81-I85 VanDerWaalsContact O-N 3.12Å; L82-I85 WeakPolarHBondContact O-CB 3.22Å; L82-I85 PolarHBondContact O-N 2.96Å; G83-I85 VanDerWaalsContact C-N 3.28Å; G83-I85 PolarHBondContact O-N 3.03Å; I85-K314 PolarHBondContact O-NZ 3.49Å
86A83.9Confident83.8Confident18 Ų1871.1 Ų71.115%0.14936%0.361CS..Hα-helixtrans-78.1-30.4177.200000113.3L82 G83 Q84 E88 I97 A98L82-A86 PolarHBondContact O-N 3.1Å; G83-A86 WeakPolarHBondContact O-CB 3.48Å; G83-A86 PolarHBondContact O-N 3.14Å; G83-A86 VanDerWaalsContact O-N 3.1Å; Q84-A86 VanDerWaalsContact C-N 3.25Å; Q84-A86 PolarHBondContact O-N 3.36Å; A86-E88 VanDerWaalsContact C-N 3.33Å; A86-I97 HydrophobicContact CB-CB 4.11Å; A86-I97 HydrophobicContact CB-CG2 3.86Å; A86-A98 HydrophobicContact CB-CB 4.38Å
87L84.7Confident83.4Confident88 Ų8874.7 Ų74.746%0.46138%0.379SS..Hα-helixtrans-72.3-24.2172.6-64.4177.6000113.4G83 Q84 G89 A98G83-L87 PolarHBondContact O-N 3.08Å; Q84-L87 PolarHBondContact O-N 3.15Å; L87-G89 VanDerWaalsContact C-N 3.3Å; L87-A98 HydrophobicContact CD1-CB 4.17Å; L87-A98 HydrophobicContact CD2-CB 3.56Å; L87-A98 HydrophobicContact CG-CB 3.54Å
88E81.9Confident83.1Confident78 Ų7871.1 Ų71.136%0.36436%0.361SS..THydrogen-bonded Turntrans-78.2-10.8178.2-73.5169.3-173.400114.4Q84 A86 K314Q84-E88 PolarHBondContact NE2-OE1 2.84Å; Q84-E88 WeakPolarHBondContact O-CG 3.44Å; Q84-E88 PolarHBondContact O-N 3.43Å; A86-E88 VanDerWaalsContact C-N 3.33Å; E88-K314 HydrophobicContact CB-CD 3.88Å; E88-K314 IonicContact OE2-NZ 2.72Å; E88-K314 PolarHBondContact OE2-NZ 3.46Å
89G70.4Confident82.9Confident18 Ų1868.2 Ų68.219%0.18635%0.353CS..SBendtrans-93.4136.917200000110.4L87 E91L87-G89 VanDerWaalsContact C-N 3.3Å; G89-E91 PolarHBondContact O-N 3.02Å
90N62.9Low82.6Confident142 Ų14267.9 Ų67.976%0.75935%0.352SS*.  trans-73.536.9167.8-72.9-10.4000111.8
91E65.8Low82.6Confident128 Ų12866.6 Ų66.660%0.59835%0.347SS*.  trans-77.6132.1175.9-62.3-56.8148.800108.5G89 N93 G94G89-E91 PolarHBondContact O-N 3.02Å; E91-N93 PolarHBondContact O-N 3.12Å; E91-G94 PolarHBondContact O-N 2.92Å
92P71.3Confident82.6Confident102 Ų10260.2 Ų60.266%0.66233%0.331SS*.THydrogen-bonded Turntrans-59.1-22.2-173.924-34.5000113.3
93N76.5Confident82.6Confident40 Ų4060.7 Ų60.721%0.21433%0.33CS..THydrogen-bonded Turntrans-112.86.4-174.5-54.9-14.5000113.2E91 N95 D96 I97 L255E91-N93 PolarHBondContact O-N 3.12Å; N93-N95 PolarHBondContact O-N 3.38Å; N93-D96 PolarHBondContact O-N 2.77Å; N93-I97 PolarHBondContact O-N 2.85Å; N93-L255 HydrophobicContact CB-CD2 3.43Å; N93-L255 VanDerWaalsContact CB-CD2 3.43Å; N93-L255 WeakPolarHBondContact ND2-CD2 3.36Å
94G78.8Confident82.8Confident4 Ų463.7 Ų63.74%0.04134%0.343CS..Hα-helixtrans-60.2-30.2-175.100000113.8E91 A98E91-G94 PolarHBondContact O-N 2.92Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 3.37Å
95N85.6Confident83Confident104 Ų10459 Ų5956%0.55632%0.321SS*.Hα-helixtrans-66.4-38.7177.7-174.452000113.4N93 T99N93-N95 PolarHBondContact O-N 3.38Å; N95-T99 VanDerWaalsContact O-CB 3.26Å; N95-T99 WeakPolarHBondContact O-CB 3.5Å; N95-T99 PolarHBondContact O-N 2.73Å; N95-T99 PolarHBondContact O-OG1 3.49Å
96D83.5Confident83.3Confident55 Ų5558.8 Ų58.829%0.29432%0.323SS..Hα-helixtrans-70.1-40.8177.9-75.1-70.3000111.4N93 T99 S100 R251N93-D96 PolarHBondContact O-N 2.77Å; D96-T99 PolarHBondContact O-N 2.84Å; D96-S100 VanDerWaalsContact O-CB 3.32Å; D96-S100 WeakPolarHBondContact O-CB 3.21Å; D96-S100 PolarHBondContact O-N 3.13Å; D96-S100 PolarHBondContact O-OG 2.84Å; D96-R251 IonicContact OD1-NH1 2.63Å
97I85.6Confident83.8Confident74 Ų7458.7 Ų58.738%0.37932%0.321SS..Hα-helixtrans-60.1-48.8174.9-61.7171.4000109.9A86 N93 S100 L101 L255A86-I97 HydrophobicContact CB-CB 4.11Å; A86-I97 HydrophobicContact CB-CG2 3.86Å; N93-I97 PolarHBondContact O-N 2.85Å; I97-S100 PolarHBondContact O-N 2.88Å; I97-L101 HydrophobicContact CG2-CD1 3.96Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 2.79Å; I97-L255 HydrophobicContact CG1-CD1 3.97Å
98A89.2Confident84.2Confident4 Ų457.6 Ų57.63%0.03331%0.313CS..Hα-helixtrans-61.6-47.8177.800000112.8G83 A86 L87 G94 S100 L101 C102G83-A98 VanDerWaalsContact O-CB 3.3Å; G83-A98 WeakPolarHBondContact O-CB 3.3Å; A86-A98 HydrophobicContact CB-CB 4.38Å; L87-A98 HydrophobicContact CD1-CB 4.17Å; L87-A98 HydrophobicContact CD2-CB 3.56Å; L87-A98 HydrophobicContact CG-CB 3.54Å; G94-A98 WeakPolarHBondContact O-CB 3.41Å; G94-A98 PolarHBondContact O-N 3.37Å; A98-S100 PolarHBondContact O-N 2.99Å; A98-L101 PolarHBondContact O-N 3.44Å; A98-C102 WeakPolarHBondContact O-CB 3.39Å; A98-C102 PolarHBondContact O-N 3.38Å; A98-C102 PolarHBondContact O-SG 2.96Å
99T88.2Confident84.9Confident56 Ų5656.9 Ų56.934%0.34431%0.307SS..Hα-helixtrans-56.9-39.4177-62.70000111.4N95 D96 K103N95-T99 VanDerWaalsContact O-CB 3.26Å; N95-T99 WeakPolarHBondContact O-CB 3.5Å; N95-T99 PolarHBondContact O-N 2.73Å; N95-T99 PolarHBondContact O-OG1 3.49Å; D96-T99 PolarHBondContact O-N 2.84Å; T99-K103 WeakPolarHBondContact O-CG 3.4Å; T99-K103 PolarHBondContact O-N 3.12Å; T99-K103 VanDerWaalsContact O-N 3.14Å
100S87.6Confident86.1Confident19 Ų1959.5 Ų59.513%0.13332%0.317CS..Hα-helixtrans-70.9-46.1-178-56.10000112.4D96 I97 A98 C102 K103 F104 L248D96-S100 VanDerWaalsContact O-CB 3.32Å; D96-S100 WeakPolarHBondContact O-CB 3.21Å; D96-S100 PolarHBondContact O-N 3.13Å; D96-S100 PolarHBondContact O-OG 2.84Å; I97-S100 PolarHBondContact O-N 2.88Å; A98-S100 PolarHBondContact O-N 2.99Å; S100-C102 VanDerWaalsContact C-N 3.35Å; S100-C102 PolarHBondContact O-N 2.67Å; S100-K103 WeakPolarHBondContact O-CB 3.24Å; S100-K103 PolarHBondContact O-N 3.17Å; S100-F104 WeakPolarHBondContact O-CD2 3.48Å; S100-F104 PolarHBondContact O-N 2.87Å; S100-L248 WeakPolarHBondContact OG-CD1 3.39Å
101L91.9Very high87.6Confident39 Ų3954.2 Ų54.220%0.20429%0.289CS..Hα-helixtrans-63.6-39.8176.9-69.4165.4000112L79 L82 I97 A98 K103 F104 S105L79-L101 HydrophobicContact CD2-CD2 3.98Å; L82-L101 HydrophobicContact CB-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CD1 3.96Å; I97-L101 WeakPolarHBondContact O-CG 3.47Å; I97-L101 PolarHBondContact O-N 2.79Å; A98-L101 PolarHBondContact O-N 3.44Å; L101-K103 PolarHBondContact O-N 3.27Å; L101-F104 PolarHBondContact O-N 3.22Å; L101-S105 PolarHBondContact O-N 3.39Å; L101-S105 VanDerWaalsContact O-N 3.12Å
102C91.3Very high89Confident52 Ų5248.2 Ų48.235%0.35126%0.261SS..Hα-helixtrans-64.9-35.4175.4-69.70000112.9A98 S100 S105 V106A98-C102 WeakPolarHBondContact O-CB 3.39Å; A98-C102 PolarHBondContact O-N 3.38Å; A98-C102 PolarHBondContact O-SG 2.96Å; S100-C102 VanDerWaalsContact C-N 3.35Å; S100-C102 PolarHBondContact O-N 2.67Å; C102-S105 WeakPolarHBondContact O-CB 3.21Å; C102-S105 PolarHBondContact O-N 2.89Å; C102-V106 WeakPolarHBondContact O-CG2 3.35Å; C102-V106 PolarHBondContact O-N 2.96Å; C102-V106 VanDerWaalsContact O-N 3.15Å
103K90.3Very high90.1Very high75 Ų7547 Ų4733%0.32625%0.249SC..Hα-helixtrans-61.1-47.1173.8-77.4174.8174.3-171.60112.2T99 S100 L101 S105 V106 V107 F241T99-K103 WeakPolarHBondContact O-CG 3.4Å; T99-K103 PolarHBondContact O-N 3.12Å; T99-K103 VanDerWaalsContact O-N 3.14Å; S100-K103 WeakPolarHBondContact O-CB 3.24Å; S100-K103 PolarHBondContact O-N 3.17Å; L101-K103 PolarHBondContact O-N 3.27Å; K103-S105 VanDerWaalsContact C-N 3.33Å; K103-S105 PolarHBondContact O-N 3.2Å; K103-V106 PolarHBondContact O-N 2.9Å; K103-V107 PolarHBondContact O-N 3.45Å; K103-F241 HydrophobicContact CB-CE2 4.1Å
104F92.5Very high91Very high63 Ų6346.9 Ų46.928%0.27625%0.247SC..Hα-helixtrans-61.5-39.7176.9-83.5-76000112.2L79 S100 L101 V106 H108 F241 M245 L248L79-F104 HydrophobicContact CD1-CB 4.01Å; S100-F104 WeakPolarHBondContact O-CD2 3.48Å; S100-F104 PolarHBondContact O-N 2.87Å; L101-F104 PolarHBondContact O-N 3.22Å; F104-V106 PolarHBondContact O-N 3.43Å; F104-H108 PolarHBondContact O-CD2 3Å; F104-H108 VanDerWaalsContact O-CD2 3.29Å; F104-H108 PolarHBondContact O-N 2.85Å; F104-H108 VanDerWaalsContact O-N 3.14Å; F104-F241 AromaticContact CD1-CE1 3.88Å; F104-F241 HydrophobicContact CD1-CE1 3.88Å; F104-F241 AromaticContact CD1-CZ 3.84Å; F104-F241 HydrophobicContact CD1-CZ 3.84Å; F104-F241 HydrophobicContact CD2-CZ 4.33Å; F104-F241 AromaticContact CE1-CE1 3.61Å; F104-F241 HydrophobicContact CE1-CE1 3.61Å; F104-F241 AromaticContact CE1-CZ 3.72Å; F104-F241 HydrophobicContact CE1-CZ 3.72Å; F104-F241 HydrophobicContact CE2-CZ 4.22Å; F104-F241 HydrophobicContact CG-CZ 4.15Å; F104-F241 HydrophobicContact CZ-CE1 4.14Å; F104-F241 AromaticContact CZ-CZ 3.92Å; F104-F241 HydrophobicContact CZ-CZ 3.92Å; F104-M245 HydrophobicContact CE1-CE 4.28Å; F104-M245 HydrophobicContact CZ-CE 4.09Å; F104-M245 HydrophobicContact CZ-SD 4.35Å; F104-L248 HydrophobicContact CE2-CD2 3.71Å; F104-L248 HydrophobicContact CZ-CD2 4.38Å
105S94.1Very high91.8Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-55.8-49.7173.7177.50000112.1C76 E80 L101 C102 K103 R109C76-S105 WeakPolarHBondContact CB-OG 3.37Å; C76-S105 PolarHBondContact O-OG 3.36Å; C76-S105 PolarHBondContact SG-O 3.47Å; C76-S105 VanDerWaalsContact SG-O 3.39Å; E80-S105 WeakPolarHBondContact CG-OG 3.15Å; E80-S105 PolarHBondContact OE1-OG 2.66Å; L101-S105 PolarHBondContact O-N 3.39Å; L101-S105 VanDerWaalsContact O-N 3.12Å; C102-S105 WeakPolarHBondContact O-CB 3.21Å; C102-S105 PolarHBondContact O-N 2.89Å; K103-S105 VanDerWaalsContact C-N 3.33Å; K103-S105 PolarHBondContact O-N 3.2Å; S105-R109 WeakPolarHBondContact O-CB 3.34Å; S105-R109 PolarHBondContact O-N 3.35Å
106V94Very high92.3Very high75 Ų7544.9 Ų44.946%0.45523%0.233SC..Hα-helixtrans-59.7-52.5-178.4172.60000111.3C102 K103 F104 H108 R109 D110C102-V106 WeakPolarHBondContact O-CG2 3.35Å; C102-V106 PolarHBondContact O-N 2.96Å; C102-V106 VanDerWaalsContact O-N 3.15Å; K103-V106 PolarHBondContact O-N 2.9Å; F104-V106 PolarHBondContact O-N 3.43Å; V106-H108 PolarHBondContact O-N 3.2Å; V106-R109 PolarHBondContact O-N 3.46Å; V106-R109 VanDerWaalsContact O-N 3.16Å; V106-D110 PolarHBondContact O-N 3.07Å
107V93.4Very high92.8Very high17 Ų1746.1 Ų46.110%0.10324%0.237CC..Hα-helixtrans-62.9-44-175.3176.20000111.9K103 D110 L111 V237 M238 F241K103-V107 PolarHBondContact O-N 3.45Å; V107-D110 PolarHBondContact O-N 2.94Å; V107-L111 HydrophobicContact CG1-CD1 4.34Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 2.72Å; V107-V237 HydrophobicContact CG1-CG1 4.21Å; V107-M238 HydrophobicContact CG1-SD 4.11Å; V107-F241 HydrophobicContact CG1-CB 4.33Å; V107-F241 HydrophobicContact CG1-CD1 4.18Å; V107-F241 HydrophobicContact CG1-CG 4.31Å; V107-F241 HydrophobicContact CG2-CB 3.98Å; V107-F241 HydrophobicContact CG2-CD1 4.24Å; V107-F241 HydrophobicContact CG2-CD2 3.81Å; V107-F241 HydrophobicContact CG2-CE2 4.36Å; V107-F241 HydrophobicContact CG2-CG 3.75Å
108H94Very high93.3Very high65 Ų6543.3 Ų43.330%0.30122%0.223SC..Hα-helixtrans-69.1-32.5176.6-75.2-59.8000112.9I72 F104 V106 A112I72-H108 HydrophobicContact CG2-CB 3.96Å; I72-H108 WeakPolarHBondContact CG2-O 3.34Å; F104-H108 PolarHBondContact O-CD2 3Å; F104-H108 VanDerWaalsContact O-CD2 3.29Å; F104-H108 PolarHBondContact O-N 2.85Å; F104-H108 VanDerWaalsContact O-N 3.14Å; V106-H108 PolarHBondContact O-N 3.2Å; H108-A112 WeakPolarHBondContact O-CB 3.15Å; H108-A112 PolarHBondContact O-N 2.87Å
109R95.9Very high93.6Very high62 Ų6244.5 Ų44.523%0.23423%0.228CC..Hα-helixtrans-68.1-36.5175.6-165.9177.5-78.2140-10.2111.4C76 D77 E80 S105 V106 A112 N113C76-R109 HydrophobicContact CB-CB 4.35Å; C76-R109 PolarHBondContact SG-N 3.25Å; C76-R109 VanDerWaalsContact SG-N 3.44Å; D77-R109 IonicContact OD1-CZ 3.07Å; D77-R109 IonicContact OD1-NE 2.68Å; D77-R109 IonicContact OD1-NH2 2.89Å; D77-R109 PolarHBondContact OD1-NH2 3.06Å; E80-R109 VanDerWaalsContact CD-NH2 3.34Å; E80-R109 IonicContact OE1-CZ 3.49Å; E80-R109 IonicContact OE1-NH1 3.35Å; E80-R109 PolarHBondContact OE1-NH1 3.47Å; E80-R109 IonicContact OE1-NH2 2.89Å; E80-R109 PolarHBondContact OE1-NH2 3Å; E80-R109 IonicContact OE2-CZ 2.78Å; E80-R109 IonicContact OE2-NH1 2.72Å; E80-R109 IonicContact OE2-NH2 2.61Å; E80-R109 PolarHBondContact OE2-NH2 3Å; S105-R109 WeakPolarHBondContact O-CB 3.34Å; S105-R109 PolarHBondContact O-N 3.35Å; V106-R109 PolarHBondContact O-N 3.46Å; V106-R109 VanDerWaalsContact O-N 3.16Å; R109-A112 PolarHBondContact O-N 3.03Å; R109-N113 PolarHBondContact O-N 2.89Å; R109-N113 PolarHBondContact O-ND2 3Å; R109-N113 VanDerWaalsContact O-ND2 3.13Å
110D95.1Very high94Very high73 Ų7346.5 Ų46.539%0.3923%0.234SC..Hα-helixtrans-67.9-48.2174.1-72.6-25.6000112V106 V107 A112 N113 M114V106-D110 PolarHBondContact O-N 3.07Å; V107-D110 PolarHBondContact O-N 2.94Å; D110-A112 PolarHBondContact O-N 3.19Å; D110-N113 WeakPolarHBondContact O-CA 3.32Å; D110-N113 WeakPolarHBondContact O-CB 3.39Å; D110-N113 PolarHBondContact O-N 2.74Å; D110-M114 VanDerWaalsContact O-CG 3.29Å; D110-M114 WeakPolarHBondContact O-CG 2.96Å; D110-M114 PolarHBondContact O-N 3.35Å
111L95Very high94.3Very high32 Ų3245.7 Ų45.717%0.16823%0.228CC..Hα-helixtrans-58.8-35.7173.9-68.1172.9000112.5V107 M114 T115 C234 V237 M238V107-L111 HydrophobicContact CG1-CD1 4.34Å; V107-L111 WeakPolarHBondContact O-CG 3.46Å; V107-L111 PolarHBondContact O-N 2.72Å; L111-M114 HydrophobicContact CD2-SD 4.34Å; L111-T115 WeakPolarHBondContact O-CB 3.06Å; L111-T115 PolarHBondContact O-N 3.36Å; L111-T115 PolarHBondContact O-OG1 2.77Å; L111-C234 HydrophobicContact CD2-CB 3.91Å; L111-V237 HydrophobicContact CD2-CG1 4.47Å; L111-M238 HydrophobicContact CD1-CG 4.41Å; L111-M238 HydrophobicContact CD1-SD 3.91Å
112A95.4Very high94.4Very high1 Ų143.9 Ų43.91%0.00822%0.219CC..Hα-helixtrans-65.4-42.8172.200000112A69 I72 H108 R109 D110 T115 K116A69-A112 HydrophobicContact CB-CB 4.14Å; A69-A112 VanDerWaalsContact CB-O 3.24Å; A69-A112 WeakPolarHBondContact CB-O 3.36Å; I72-A112 HydrophobicContact CB-CB 4.04Å; I72-A112 HydrophobicContact CG2-CB 3.9Å; H108-A112 WeakPolarHBondContact O-CB 3.15Å; H108-A112 PolarHBondContact O-N 2.87Å; R109-A112 PolarHBondContact O-N 3.03Å; D110-A112 PolarHBondContact O-N 3.19Å; A112-T115 PolarHBondContact O-N 3.43Å; A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 3.31Å
113N95.3Very high94.5Very high77 Ų7745.1 Ų45.141%0.41222%0.222SC..Hα-helixtrans-64.5-42176.3-69.9-30000112R109 D110 T115 K116 H117R109-N113 PolarHBondContact O-N 2.89Å; R109-N113 PolarHBondContact O-ND2 3Å; R109-N113 VanDerWaalsContact O-ND2 3.13Å; D110-N113 WeakPolarHBondContact O-CA 3.32Å; D110-N113 WeakPolarHBondContact O-CB 3.39Å; D110-N113 PolarHBondContact O-N 2.74Å; N113-T115 VanDerWaalsContact C-N 3.29Å; N113-T115 PolarHBondContact O-N 2.81Å; N113-K116 PolarHBondContact O-N 3.29Å; N113-H117 PolarHBondContact O-N 3.49Å
114M95.4Very high94.8Very high38 Ų3844 Ų4419%0.18722%0.223CC..Hα-helixtrans-63.3-35.2173.6-63.1165.185.900111.5D110 L111 H117 L118 Y230 E233 C234 V237D110-M114 VanDerWaalsContact O-CG 3.29Å; D110-M114 WeakPolarHBondContact O-CG 2.96Å; D110-M114 PolarHBondContact O-N 3.35Å; L111-M114 HydrophobicContact CD2-SD 4.34Å; M114-H117 CarbonylContact O-C 3.55Å; M114-H117 WeakPolarHBondContact O-CA 3.37Å; M114-H117 VanDerWaalsContact O-CB 3.29Å; M114-H117 WeakPolarHBondContact O-CB 3.27Å; M114-H117 PolarHBondContact O-N 3.22Å; M114-L118 PolarHBondContact O-N 2.71Å; M114-Y230 HydrophobicContact CB-CD2 4.22Å; M114-Y230 HydrophobicContact CB-CE2 3.97Å; M114-Y230 WeakPolarHBondContact O-CE2 3.36Å; M114-E233 VanDerWaalsContact CE-C 3.49Å; M114-E233 HydrophobicContact CE-CB 3.39Å; M114-C234 HydrophobicContact CE-CB 4.46Å; M114-V237 HydrophobicContact CE-CG2 4.19Å; M114-V237 HydrophobicContact SD-CG2 4.05Å
115T94.6Very high94.9Very high11 Ų1142.1 Ų42.17%0.06722%0.215CC..Hα-helixtrans-76.1-33.2177.3-54.60000112.3Y68 L111 A112 N113 H117 L118 M119 Y230Y68-T115 HydrophobicContact CD1-CG2 3.78Å; Y68-T115 HydrophobicContact CE1-CG2 4.18Å; L111-T115 WeakPolarHBondContact O-CB 3.06Å; L111-T115 PolarHBondContact O-N 3.36Å; L111-T115 PolarHBondContact O-OG1 2.77Å; A112-T115 PolarHBondContact O-N 3.43Å; N113-T115 VanDerWaalsContact C-N 3.29Å; N113-T115 PolarHBondContact O-N 2.81Å; T115-H117 VanDerWaalsContact C-N 3.31Å; T115-L118 CarbonylContact O-C 3.57Å; T115-L118 PolarHBondContact O-N 2.72Å; T115-M119 VanDerWaalsContact O-CG 3.25Å; T115-M119 WeakPolarHBondContact O-CG 3.46Å; T115-M119 PolarHBondContact O-N 2.95Å; T115-M119 VanDerWaalsContact O-N 3.12Å; T115-Y230 PolarHBondContact OG1-OH 2.93Å
116K95.2Very high94.8Very high54 Ų5442.2 Ų42.224%0.23522%0.216CC..Hα-helixtrans-59.3-46.4164.9-70.8165.1-170.1156.70109.5A69 T73 A112 N113 L118 M119 Q120A69-K116 HydrophobicContact CB-CD 4.13Å; A69-K116 HydrophobicContact CB-CG 3.49Å; A69-K116 VanDerWaalsContact CB-CG 3.49Å; T73-K116 PolarHBondContact OG1-NZ 3.25Å; A112-K116 WeakPolarHBondContact O-CG 3.47Å; A112-K116 PolarHBondContact O-N 3.31Å; N113-K116 PolarHBondContact O-N 3.29Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.05Å; K116-M119 PolarHBondContact O-N 2.96Å; K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 2.86Å
117H95.2Very high94.7Very high81 Ų8138.8 Ų38.838%0.37520%0.196SC..Hα-helixtrans-54.9-45.6173.4-159.8106.8000110.5N113 M114 T115 M119 N121 H1319N113-H117 PolarHBondContact O-N 3.49Å; M114-H117 CarbonylContact O-C 3.55Å; M114-H117 WeakPolarHBondContact O-CA 3.37Å; M114-H117 VanDerWaalsContact O-CB 3.29Å; M114-H117 WeakPolarHBondContact O-CB 3.27Å; M114-H117 PolarHBondContact O-N 3.22Å; T115-H117 VanDerWaalsContact C-N 3.31Å; H117-M119 PolarHBondContact O-N 3.03Å; H117-M119 VanDerWaalsContact O-N 3.17Å; H117-N121 PolarHBondContact CD2-OD1 2.91Å; H117-N121 WeakPolarHBondContact O-CA 3.1Å; H117-N121 WeakPolarHBondContact O-CB 3.47Å; H117-N121 PolarHBondContact O-N 3.19Å; H117-N121 PolarHBondContact O-OD1 3.11Å; H117-H1319 AromaticContact CE1-CD2 3.48Å; H117-H1319 PolarHBondContact CE1-CD2 3.5Å; H117-H1319 VanDerWaalsContact CE1-CD2 3.48Å; H117-H1319 AromaticContact CE1-NE2 3.4Å; H117-H1319 PolarHBondContact CE1-NE2 2.97Å; H117-H1319 AromaticContact NE2-CD2 3.34Å; H117-H1319 PolarHBondContact NE2-CD2 3.14Å; H117-H1319 VanDerWaalsContact NE2-CD2 3.34Å; H117-H1319 AromaticContact NE2-NE2 3.78Å
118L96.1Very high94.7Very high16 Ų1644.1 Ų44.18%0.08422%0.218CC..Hα-helixtrans-65.6-10.2174.4-157.675.6000115.7M114 T115 K116 N121 Y230M114-L118 PolarHBondContact O-N 2.71Å; T115-L118 CarbonylContact O-C 3.57Å; T115-L118 PolarHBondContact O-N 2.72Å; K116-L118 VanDerWaalsContact C-N 3.31Å; K116-L118 PolarHBondContact O-N 3.05Å; L118-N121 VanDerWaalsContact O-CB 3.28Å; L118-N121 WeakPolarHBondContact O-CB 3.49Å; L118-Y230 HydrophobicContact CB-CD2 3.86Å; L118-Y230 HydrophobicContact CB-CE2 3.93Å; L118-Y230 HydrophobicContact CB-CG 4.22Å; L118-Y230 HydrophobicContact CD1-CD1 3.79Å; L118-Y230 HydrophobicContact CD1-CD2 4Å; L118-Y230 HydrophobicContact CD1-CG 3.48Å; L118-Y230 VanDerWaalsContact CD1-CG 3.48Å; L118-Y230 HydrophobicContact CD2-CD1 3.64Å; L118-Y230 HydrophobicContact CD2-CD2 4.33Å; L118-Y230 HydrophobicContact CD2-CE1 3.57Å; L118-Y230 HydrophobicContact CD2-CE2 4.24Å; L118-Y230 HydrophobicContact CD2-CG 4.04Å; L118-Y230 HydrophobicContact CG-CD1 4.19Å; L118-Y230 HydrophobicContact CG-CD2 4.25Å; L118-Y230 HydrophobicContact CG-CE1 4.46Å; L118-Y230 HydrophobicContact CG-CE2 4.48Å; L118-Y230 HydrophobicContact CG-CG 4.08Å
119M96.1Very high94.5Very high28 Ų2842.5 Ų42.514%0.13821%0.213CC..Hα-helixtrans-115.5-43.6-174.8-66.3-70.2142.900114.7V62 I66 T115 K116 H117 N121 L122V62-M119 WeakPolarHBondContact CG1-O 3.37Å; I66-M119 HydrophobicContact CG1-CB 3.82Å; T115-M119 VanDerWaalsContact O-CG 3.25Å; T115-M119 WeakPolarHBondContact O-CG 3.46Å; T115-M119 PolarHBondContact O-N 2.95Å; T115-M119 VanDerWaalsContact O-N 3.12Å; K116-M119 PolarHBondContact O-N 2.96Å; H117-M119 PolarHBondContact O-N 3.03Å; H117-M119 VanDerWaalsContact O-N 3.17Å; M119-N121 PolarHBondContact O-N 2.85Å; M119-L122 PolarHBondContact O-N 3.28Å
120Q94.7Very high94.1Very high99 Ų9940.2 Ų40.246%0.46321%0.205SC..Hα-helixtrans-61.8-23.1158.740.3169.1-109.800110.5K116 N123 Y1320K116-Q120 WeakPolarHBondContact O-CG 3.48Å; K116-Q120 PolarHBondContact O-N 2.86Å; Q120-N123 VanDerWaalsContact O-CB 3.28Å; Q120-N123 WeakPolarHBondContact O-CB 3.48Å; Q120-N123 PolarHBondContact O-N 3.39Å; Q120-Y1320 WeakPolarHBondContact O-CD1 3.22Å; Q120-Y1320 WeakPolarHBondContact O-CE1 3.49Å; Q120-Y1320 PolarHBondContact OE1-OH 2.99Å
121N95Very high93.7Very high2 Ų238.2 Ų38.21%0.01119%0.193CC..Hα-helixtrans-40.8-73.5163.6-101.64.8000111.2H117 L118 M119 N123 S124 V226 Y1320 S1321H117-N121 PolarHBondContact CD2-OD1 2.91Å; H117-N121 WeakPolarHBondContact O-CA 3.1Å; H117-N121 WeakPolarHBondContact O-CB 3.47Å; H117-N121 PolarHBondContact O-N 3.19Å; H117-N121 PolarHBondContact O-OD1 3.11Å; L118-N121 VanDerWaalsContact O-CB 3.28Å; L118-N121 WeakPolarHBondContact O-CB 3.49Å; M119-N121 PolarHBondContact O-N 2.85Å; N121-N123 PolarHBondContact O-N 2.97Å; N121-S124 PolarHBondContact O-N 3Å; N121-V226 WeakPolarHBondContact ND2-CG1 3.25Å; N121-Y1320 VanDerWaalsContact C-CA 3.49Å; N121-Y1320 CarbonylContact C-O 3.58Å; N121-Y1320 VanDerWaalsContact CA-CA 3.45Å; N121-Y1320 VanDerWaalsContact CA-CD2 3.49Å; N121-Y1320 HydrophobicContact CB-CD2 4.2Å; N121-Y1320 HydrophobicContact CB-CG 4.33Å; N121-Y1320 VanDerWaalsContact CG-CA 3.44Å; N121-Y1320 CarbonylContact O-C 3.17Å; N121-Y1320 WeakPolarHBondContact O-CA 3.28Å; N121-Y1320 WeakPolarHBondContact O-CB 3.41Å; N121-Y1320 WeakPolarHBondContact O-CD1 3.41Å; N121-Y1320 WeakPolarHBondContact OD1-CA 3.19Å; N121-Y1320 WeakPolarHBondContact OD1-CD2 3.5Å; N121-Y1320 PolarHBondContact OD1-N 2.85Å; N121-S1321 WeakPolarHBondContact CB-OG 3.24Å; N121-S1321 PolarHBondContact ND2-OG 3.09Å
122L94.4Very high93.4Very high1 Ų139.9 Ų39.91%0.00521%0.205CC..Hα-helixtrans-64.4-8.9-170.5-156.579000111.4V58 V62 M119 S124 V126 V127 L220 F223 Y1320 P1322 S1323V58-L122 HydrophobicContact CB-CD2 3.76Å; V58-L122 HydrophobicContact CG1-CD2 3.5Å; V58-L122 HydrophobicContact CG1-CG 4.41Å; V58-L122 HydrophobicContact CG2-CD2 3.6Å; V62-L122 HydrophobicContact CG2-CB 4.01Å; M119-L122 PolarHBondContact O-N 3.28Å; L122-S124 PolarHBondContact O-N 3.38Å; L122-S124 VanDerWaalsContact O-N 3.15Å; L122-V126 HydrophobicContact CD1-CB 3.75Å; L122-V126 HydrophobicContact CD1-CG2 3.38Å; L122-V126 HydrophobicContact CG-CB 4.09Å; L122-V126 HydrophobicContact CG-CG2 4.19Å; L122-V127 VanDerWaalsContact O-CB 3.28Å; L122-V127 WeakPolarHBondContact O-CB 3.38Å; L122-V127 VanDerWaalsContact O-CG2 3.26Å; L122-V127 WeakPolarHBondContact O-CG2 3.36Å; L122-V127 PolarHBondContact O-N 2.65Å; L122-L220 HydrophobicContact CD1-CD2 4.25Å; L122-F223 HydrophobicContact CD1-CD1 4.42Å; L122-Y1320 WeakPolarHBondContact CA-O 3.31Å; L122-P1322 HydrophobicContact CB-CB 2.3Å; L122-P1322 HydrophobicContact CB-CG 2.28Å; L122-P1322 HydrophobicContact CD1-CB 3.74Å; L122-P1322 HydrophobicContact CD1-CG 3.84Å; L122-P1322 WeakPolarHBondContact CD1-O 3.37Å; L122-P1322 HydrophobicContact CD2-CB 2.71Å; L122-P1322 HydrophobicContact CD2-CG 2.94Å; L122-P1322 HydrophobicContact CG-CB 2.32Å; L122-P1322 HydrophobicContact CG-CG 2.29Å; L122-P1322 WeakPolarHBondContact O-CD 3.18Å; L122-P1322 WeakPolarHBondContact O-CG 3.45Å; L122-S1323 WeakPolarHBondContact CD1-O 3.38Å; L122-S1323 WeakPolarHBondContact CD2-O 3.29Å; L122-S1323 VanDerWaalsContact CG-N 3.3Å
123N93.8Very high92.9Very high78 Ų7841.2 Ų41.242%0.41721%0.211SC..THydrogen-bonded Turntrans-65.8-10.2169.8-151.471.7000114.8Q120 N121Q120-N123 VanDerWaalsContact O-CB 3.28Å; Q120-N123 WeakPolarHBondContact O-CB 3.48Å; Q120-N123 PolarHBondContact O-N 3.39Å; N121-N123 PolarHBondContact O-N 2.97Å
124S94.7Very high92.2Very high50 Ų5038.7 Ų38.735%0.3520%0.196SC..THydrogen-bonded Turntrans-120.9-38.7170.894.50000120.4N121 L122 P129 Y1320N121-S124 PolarHBondContact O-N 3Å; L122-S124 PolarHBondContact O-N 3.38Å; L122-S124 VanDerWaalsContact O-N 3.15Å; S124-P129 WeakPolarHBondContact O-CD 3.26Å; S124-Y1320 VanDerWaalsContact CB-CD1 3.43Å; S124-Y1320 WeakPolarHBondContact OG-CB 3.26Å; S124-Y1320 WeakPolarHBondContact OG-CD1 3.48Å
125I94.8Very high91.5Very high24 Ų2443.6 Ų43.612%0.12322%0.219CC..THydrogen-bonded Turntrans-70.3-47.2-177.2-69173.7000111.9P129 H219 D222 V226 H1319 Y1320 S1321I125-P129 WeakPolarHBondContact O-CD 3.49Å; I125-P129 WeakPolarHBondContact O-CG 3.27Å; I125-H219 HydrophobicContact CG2-CB 3.85Å; I125-H219 WeakPolarHBondContact CG2-O 3.22Å; I125-D222 HydrophobicContact CD1-CB 4Å; I125-D222 HydrophobicContact CG2-CB 3.8Å; I125-V226 HydrophobicContact CD1-CG2 4.15Å; I125-H1319 WeakPolarHBondContact CD1-O 3.31Å; I125-Y1320 WeakPolarHBondContact CA-O 3.47Å; I125-Y1320 WeakPolarHBondContact CB-O 3.45Å; I125-Y1320 WeakPolarHBondContact CG1-O 3.42Å; I125-Y1320 PolarHBondContact N-O 3.14Å; I125-S1321 WeakPolarHBondContact CB-O 3.38Å
126V92.9Very high90.7Very high3 Ų344.5 Ų44.52%0.01823%0.23CC..THydrogen-bonded Turntrans-108.8-31.8179.2-153.60000115.1L122 M130 L216 H219 L220 S1321L122-V126 HydrophobicContact CD1-CB 3.75Å; L122-V126 HydrophobicContact CD1-CG2 3.38Å; L122-V126 HydrophobicContact CG-CB 4.09Å; L122-V126 HydrophobicContact CG-CG2 4.19Å; V126-M130 HydrophobicContact CG1-CE 3.9Å; V126-M130 WeakPolarHBondContact O-CB 3.24Å; V126-M130 PolarHBondContact O-N 3.24Å; V126-M130 VanDerWaalsContact O-N 3.16Å; V126-L216 HydrophobicContact CG1-CD1 3.64Å; V126-H219 HydrophobicContact CG1-CB 4.42Å; V126-H219 HydrophobicContact CG2-CB 3.97Å; V126-H219 WeakPolarHBondContact CG2-O 3.24Å; V126-L220 HydrophobicContact CG2-CD2 4.3Å; V126-S1321 WeakPolarHBondContact CG2-O 3.3Å; V126-S1321 PolarHBondContact N-O 3.07Å
127V92.5Very high89.7Confident3 Ų344.7 Ų44.72%0.01823%0.234CC..Hα-helixtrans-62.2-52.3176.2163.20000111.1V58 K59 L122 M130 E131 P1322V58-V127 HydrophobicContact CG1-CG2 3.49Å; V58-V127 VanDerWaalsContact CG1-CG2 3.49Å; K59-V127 HydrophobicContact CG-CG2 3.99Å; L122-V127 VanDerWaalsContact O-CB 3.28Å; L122-V127 WeakPolarHBondContact O-CB 3.38Å; L122-V127 VanDerWaalsContact O-CG2 3.26Å; L122-V127 WeakPolarHBondContact O-CG2 3.36Å; L122-V127 PolarHBondContact O-N 2.65Å; V127-M130 PolarHBondContact O-N 3.14Å; V127-E131 HydrophobicContact CG1-CG 4.47Å; V127-E131 WeakPolarHBondContact O-CB 3.48Å; V127-E131 WeakPolarHBondContact O-CG 3.19Å; V127-E131 PolarHBondContact O-N 3.34Å; V127-P1322 HydrophobicContact CB-CG 4.48Å; V127-P1322 HydrophobicContact CG2-CG 3.53Å
128F91.9Very high88.7Confident129 Ų12941.3 Ų41.357%0.56622%0.218SC*.Hα-helixtrans-72.3-44-168.4175.1-96.2000112.4E131 T132F128-E131 PolarHBondContact O-N 2.7Å; F128-T132 WeakPolarHBondContact O-CB 3.32Å; F128-T132 PolarHBondContact O-N 3.46Å; F128-T132 PolarHBondContact O-OG1 3.37Å
129P89.9Confident87.5Confident31 Ų3146.6 Ų46.620%0.20124%0.241CC..Hα-helixtrans-62.8-40.6170.2-32.341000113.9S124 I125 E131 T132 F133 H219S124-P129 WeakPolarHBondContact O-CD 3.26Å; I125-P129 WeakPolarHBondContact O-CD 3.49Å; I125-P129 WeakPolarHBondContact O-CG 3.27Å; P129-E131 VanDerWaalsContact C-N 3.31Å; P129-E131 PolarHBondContact O-N 3.39Å; P129-T132 PolarHBondContact O-N 2.7Å; P129-T132 VanDerWaalsContact O-N 3.12Å; P129-F133 WeakPolarHBondContact O-CB 3.12Å; P129-F133 PolarHBondContact O-N 2.86Å; P129-H219 VanDerWaalsContact CB-NE2 3.28Å; P129-H219 WeakPolarHBondContact CB-NE2 3.39Å
130M87.1Confident86Confident14 Ų1449.9 Ų49.97%0.06927%0.267CS..Hα-helixtrans-62.4-39.9175.1-168.4-175.3-55.400111.3L51 R55 V58 V126 V127 M134 L216L51-M130 HydrophobicContact CD2-CG 4.46Å; R55-M130 HydrophobicContact CB-SD 3.76Å; V58-M130 HydrophobicContact CG2-CE 4.31Å; V126-M130 HydrophobicContact CG1-CE 3.9Å; V126-M130 WeakPolarHBondContact O-CB 3.24Å; V126-M130 PolarHBondContact O-N 3.24Å; V126-M130 VanDerWaalsContact O-N 3.16Å; V127-M130 PolarHBondContact O-N 3.14Å; M130-M134 HydrophobicContact CG-SD 4.18Å; M130-M134 WeakPolarHBondContact O-CB 3.22Å; M130-M134 WeakPolarHBondContact O-CG 3.47Å; M130-M134 PolarHBondContact O-N 2.96Å; M130-M134 VanDerWaalsContact O-N 3.16Å; M130-L216 HydrophobicContact CE-CD1 3.98Å
131E88.5Confident85.2Confident31 Ų3148.5 Ų48.515%0.14526%0.262CS..Hα-helixtrans-66.5-35.8172.8-75.3-168.7-172.500113.3R55 K59 V127 F128 P129 Q135R55-E131 HydrophobicContact CG-CG 4.35Å; R55-E131 VanDerWaalsContact CZ-CD 3.45Å; R55-E131 IonicContact CZ-OE1 3.31Å; R55-E131 IonicContact CZ-OE2 2.69Å; R55-E131 VanDerWaalsContact NE-CD 3.26Å; R55-E131 IonicContact NE-OE1 2.63Å; R55-E131 PolarHBondContact NE-OE1 3.48Å; R55-E131 IonicContact NH2-OE1 3.14Å; R55-E131 PolarHBondContact NH2-OE1 2.97Å; R55-E131 IonicContact NH2-OE2 3.91Å; R55-E131 PolarHBondContact NH2-OE2 2.77Å; R55-E131 VanDerWaalsContact NH2-OE2 3.1Å; K59-E131 WeakPolarHBondContact CE-OE1 3.48Å; K59-E131 IonicContact NZ-OE1 3.28Å; K59-E131 PolarHBondContact NZ-OE1 3.3Å; K59-E131 IonicContact NZ-OE2 3.36Å; V127-E131 HydrophobicContact CG1-CG 4.47Å; V127-E131 WeakPolarHBondContact O-CB 3.48Å; V127-E131 WeakPolarHBondContact O-CG 3.19Å; V127-E131 PolarHBondContact O-N 3.34Å; F128-E131 PolarHBondContact O-N 2.7Å; P129-E131 VanDerWaalsContact C-N 3.31Å; P129-E131 PolarHBondContact O-N 3.39Å; E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 VanDerWaalsContact O-CG 3.29Å; E131-Q135 WeakPolarHBondContact O-CG 3.4Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 PolarHBondContact O-NE2 2.92Å
132T87.3Confident84.6Confident67 Ų6750.4 Ų50.441%0.41127%0.272SS..Hα-helixtrans-71.7-48.3179.9-59.70000111F128 P129 M134 Q135 G136F128-T132 WeakPolarHBondContact O-CB 3.32Å; F128-T132 PolarHBondContact O-N 3.46Å; F128-T132 PolarHBondContact O-OG1 3.37Å; P129-T132 PolarHBondContact O-N 2.7Å; P129-T132 VanDerWaalsContact O-N 3.12Å; T132-M134 VanDerWaalsContact C-N 3.33Å; T132-M134 PolarHBondContact O-N 3.11Å; T132-Q135 PolarHBondContact O-N 3.24Å; T132-Q135 VanDerWaalsContact O-N 3.07Å; T132-G136 PolarHBondContact O-N 2.88Å
133F84.5Confident84.4Confident29 Ų2951.3 Ų51.313%0.12728%0.276CS..Hα-helixtrans-58.5-42.5176.3-177.3-112.9000112.1L51 P129 Q135 D137 I138 L208 K211 R212L51-F133 HydrophobicContact CD1-CD1 4.18Å; L51-F133 HydrophobicContact CD1-CE1 4Å; P129-F133 WeakPolarHBondContact O-CB 3.12Å; P129-F133 PolarHBondContact O-N 2.86Å; F133-Q135 VanDerWaalsContact C-N 3.28Å; F133-Q135 PolarHBondContact O-N 2.86Å; F133-D137 HydrophobicContact CD2-CB 3.81Å; F133-D137 HydrophobicContact CE2-CB 3.84Å; F133-D137 PolarHBondContact O-N 2.64Å; F133-D137 VanDerWaalsContact O-N 3.1Å; F133-I138 HydrophobicContact CD1-CD1 4.22Å; F133-I138 HydrophobicContact CD1-CG1 4.44Å; F133-I138 HydrophobicContact CE1-CD1 3.65Å; F133-I138 HydrophobicContact CE1-CG1 3.96Å; F133-I138 HydrophobicContact CZ-CD1 4.25Å; F133-I138 HydrophobicContact CZ-CG1 4.18Å; F133-I138 PolarHBondContact O-N 3.19Å; F133-L208 HydrophobicContact CE2-CD2 4.23Å; F133-L208 HydrophobicContact CZ-CD2 4.22Å; F133-K211 HydrophobicContact CE2-CB 4.09Å; F133-K211 HydrophobicContact CE2-CD 4.42Å; F133-R212 HydrophobicContact CE1-CB 4Å; F133-R212 HydrophobicContact CE1-CG 4.08Å; F133-R212 HydrophobicContact CZ-CB 3.83Å; F133-R212 HydrophobicContact CZ-CG 4.42Å
134M82.4Confident84.3Confident23 Ų2353.1 Ų53.111%0.11328%0.28CS..Hα-helixtrans-67.9-20.7176.1-73.4175.962.700114.6L51 V52 M130 T132L51-M134 HydrophobicContact CB-CG 4.3Å; L51-M134 HydrophobicContact CB-SD 4.01Å; V52-M134 HydrophobicContact CB-CE 4.25Å; V52-M134 HydrophobicContact CG2-CE 3.39Å; M130-M134 HydrophobicContact CG-SD 4.18Å; M130-M134 WeakPolarHBondContact O-CB 3.22Å; M130-M134 WeakPolarHBondContact O-CG 3.47Å; M130-M134 PolarHBondContact O-N 2.96Å; M130-M134 VanDerWaalsContact O-N 3.16Å; T132-M134 VanDerWaalsContact C-N 3.33Å; T132-M134 PolarHBondContact O-N 3.11Å
135Q80.4Confident84.2Confident142 Ų14253.5 Ų53.566%0.66428%0.282SS*.Hα-helixtrans-98.4-38.1179.2-75.3173.987.100112.8E131 T132 F133E131-Q135 WeakPolarHBondContact O-CB 3.41Å; E131-Q135 VanDerWaalsContact O-CG 3.29Å; E131-Q135 WeakPolarHBondContact O-CG 3.4Å; E131-Q135 PolarHBondContact O-N 3.33Å; E131-Q135 PolarHBondContact O-NE2 2.92Å; T132-Q135 PolarHBondContact O-N 3.24Å; T132-Q135 VanDerWaalsContact O-N 3.07Å; F133-Q135 VanDerWaalsContact C-N 3.28Å; F133-Q135 PolarHBondContact O-N 2.86Å
136G76.4Confident84.2Confident29 Ų2952.5 Ų52.530%0.29928%0.276SS..Hα-helixtrans-84.9-53.8-176.700000113.8T132 K139T132-G136 PolarHBondContact O-N 2.88Å; G136-K139 VanDerWaalsContact O-CE 3.28Å; G136-K139 WeakPolarHBondContact O-CE 3.3Å; G136-K139 PolarHBondContact O-NZ 2.89Å
137D74.9Confident84.2Confident59 Ų5954.4 Ų54.432%0.31629%0.285SS..THydrogen-bonded Turntrans-96.9-50.2-162.8-79.1-7.4000112.1F133 K139 L208 K211F133-D137 HydrophobicContact CD2-CB 3.81Å; F133-D137 HydrophobicContact CE2-CB 3.84Å; F133-D137 PolarHBondContact O-N 2.64Å; F133-D137 VanDerWaalsContact O-N 3.1Å; D137-K139 VanDerWaalsContact C-N 3.3Å; D137-K139 PolarHBondContact O-N 2.79Å; D137-L208 HydrophobicContact CB-CD2 3.77Å; D137-K211 IonicContact OD1-NZ 2.72Å; D137-K211 IonicContact OD2-NZ 3.14Å; D137-K211 PolarHBondContact OD2-NZ 3.44Å
138I74.4Confident84.3Confident10 Ų1060.8 Ų60.85%0.05131%0.312CS..  trans-81.275.6176.5-46.7-177.2000110.9R48 L51 F133 L208R48-I138 HydrophobicContact CB-CG2 4.45Å; R48-I138 HydrophobicContact CG-CG2 4.48Å; R48-I138 PolarHBondContact NH1-O 3.06Å; L51-I138 HydrophobicContact CD1-CD1 3.73Å; F133-I138 HydrophobicContact CD1-CD1 4.22Å; F133-I138 HydrophobicContact CD1-CG1 4.44Å; F133-I138 HydrophobicContact CE1-CD1 3.65Å; F133-I138 HydrophobicContact CE1-CG1 3.96Å; F133-I138 HydrophobicContact CZ-CD1 4.25Å; F133-I138 HydrophobicContact CZ-CG1 4.18Å; F133-I138 PolarHBondContact O-N 3.19Å; I138-L208 HydrophobicContact CG1-CD2 4.25Å
139K70.2Confident84.4Confident127 Ų12754.9 Ų54.955%0.55229%0.287SS*.  trans-79.3141.5170-71.2172.5175.7115.60110.8G136 D137 D141G136-K139 VanDerWaalsContact O-CE 3.28Å; G136-K139 WeakPolarHBondContact O-CE 3.3Å; G136-K139 PolarHBondContact O-NZ 2.89Å; D137-K139 VanDerWaalsContact C-N 3.3Å; D137-K139 PolarHBondContact O-N 2.79Å; K139-D141 PolarHBondContact O-N 3.27Å
140S65.9Low84.7Confident97 Ų9753.5 Ų53.568%0.67828%0.278SS*.THydrogen-bonded Turntrans-64.21.1178.554.20000115.6
141D76.7Confident85.1Confident70 Ų7058 Ų5837%0.37430%0.298SS..THydrogen-bonded Turntrans-124.70.6-156.6-80.627.2000112.8K139 K143 K144K139-D141 PolarHBondContact O-N 3.27Å; D141-K143 PolarHBondContact O-N 3.04Å; D141-K143 VanDerWaalsContact O-N 3.12Å; D141-K144 HydrophobicContact CB-CD 3.94Å; D141-K144 HydrophobicContact CB-CG 4.41Å; D141-K144 WeakPolarHBondContact O-CB 3.44Å; D141-K144 WeakPolarHBondContact O-CG 3.43Å; D141-K144 PolarHBondContact O-N 3.37Å; D141-K144 VanDerWaalsContact OD1-CE 3.27Å; D141-K144 WeakPolarHBondContact OD1-CE 3.37Å; D141-K144 IonicContact OD1-NZ 3.34Å; D141-K144 PolarHBondContact OD1-NZ 2.61Å; D141-K144 WeakPolarHBondContact OD2-CD 3.26Å; D141-K144 WeakPolarHBondContact OD2-CE 3.38Å; D141-K144 IonicContact OD2-NZ 2.78Å; D141-K144 PolarHBondContact OD2-NZ 3.49Å
142L84Confident85.3Confident41 Ų4160.4 Ų60.422%0.21531%0.311CS..THydrogen-bonded Turntrans-54.6-34.4-172.9-69.8165000113.5L44 P145 Y201 K204 L208L44-L142 HydrophobicContact CD1-CD1 4.41Å; L142-P145 WeakPolarHBondContact O-CD 3.27Å; L142-Y201 HydrophobicContact CB-CE2 4.22Å; L142-K204 HydrophobicContact CD2-CD 4.36Å; L142-L208 HydrophobicContact CD1-CD1 3.58Å
143K89.9Confident85.7Confident20 Ų2057.6 Ų57.69%0.08729%0.293CS..THydrogen-bonded Turntrans-82-11.2179.2175.7157127.2-68.90114.7V37 Y38 D41 D141 F146 E147 Y201V37-K143 HydrophobicContact CG1-CD 3.88Å; V37-K143 HydrophobicContact CG1-CG 4.28Å; Y38-K143 HydrophobicContact CD2-CD 4.27Å; Y38-K143 VanDerWaalsContact CD2-CE 3.49Å; Y38-K143 HydrophobicContact CE2-CD 4.4Å; Y38-K143 VanDerWaalsContact CE2-CE 3.45Å; D41-K143 HydrophobicContact CB-CD 3.84Å; D41-K143 WeakPolarHBondContact OD1-CB 3.37Å; D41-K143 WeakPolarHBondContact OD2-CD 3.22Å; D41-K143 WeakPolarHBondContact OD2-CE 3.47Å; D41-K143 IonicContact OD2-NZ 3.5Å; D41-K143 PolarHBondContact OD2-NZ 3.04Å; D141-K143 PolarHBondContact O-N 3.04Å; D141-K143 VanDerWaalsContact O-N 3.12Å; K143-F146 HydrophobicContact CG-CD1 4.28Å; K143-F146 PolarHBondContact O-N 3.47Å; K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.01Å; K143-E147 IonicContact NZ-OE1 2.72Å; K143-E147 PolarHBondContact NZ-OE1 3.18Å; K143-E147 PolarHBondContact O-N 2.95Å; K143-Y201 HydrophobicContact CB-CE2 3.93Å
144K91.9Very high86.1Confident117 Ų11759.6 Ų59.651%0.50930%0.303SS..Hα-helixtrans-61.2-38.6-177-66.8-176-175.9173.20114.8D141 K148D141-K144 HydrophobicContact CB-CD 3.94Å; D141-K144 HydrophobicContact CB-CG 4.41Å; D141-K144 WeakPolarHBondContact O-CB 3.44Å; D141-K144 WeakPolarHBondContact O-CG 3.43Å; D141-K144 PolarHBondContact O-N 3.37Å; D141-K144 VanDerWaalsContact OD1-CE 3.27Å; D141-K144 WeakPolarHBondContact OD1-CE 3.37Å; D141-K144 IonicContact OD1-NZ 3.34Å; D141-K144 PolarHBondContact OD1-NZ 2.61Å; D141-K144 WeakPolarHBondContact OD2-CD 3.26Å; D141-K144 WeakPolarHBondContact OD2-CE 3.38Å; D141-K144 IonicContact OD2-NZ 2.78Å; D141-K144 PolarHBondContact OD2-NZ 3.49Å; K144-K148 PolarHBondContact O-N 3.37Å
145P92.2Very high86.6Confident58 Ų5866.6 Ų66.638%0.37733%0.329SS..Hα-helixtrans-64.6-44.6175.8-22.134.9000112.6L142 K148 A149 E197L142-P145 WeakPolarHBondContact O-CD 3.27Å; P145-K148 WeakPolarHBondContact O-CB 3.46Å; P145-K148 PolarHBondContact O-N 3.14Å; P145-A149 PolarHBondContact O-N 3.4Å; P145-E197 WeakPolarHBondContact CB-OE2 3.13Å
146F94.1Very high87.2Confident2 Ų262.8 Ų62.81%0.00931%0.31CS..Hα-helixtrans-59.5-50.2173.4169.4-94.8000111.8V33 V37 Y38 K143 K148 A149 L150 L194 T198V33-F146 HydrophobicContact CG1-CE2 4.03Å; V33-F146 HydrophobicContact CG1-CZ 4.37Å; V37-F146 HydrophobicContact CB-CD1 4.26Å; V37-F146 HydrophobicContact CB-CE1 3.84Å; V37-F146 HydrophobicContact CB-CE2 4.33Å; V37-F146 HydrophobicContact CB-CZ 3.88Å; V37-F146 HydrophobicContact CG1-CD1 3.42Å; V37-F146 VanDerWaalsContact CG1-CD1 3.42Å; V37-F146 HydrophobicContact CG1-CD2 4.3Å; V37-F146 HydrophobicContact CG1-CE1 3.48Å; V37-F146 VanDerWaalsContact CG1-CE1 3.48Å; V37-F146 HydrophobicContact CG1-CE2 4.35Å; V37-F146 HydrophobicContact CG1-CG 3.85Å; V37-F146 HydrophobicContact CG1-CZ 3.96Å; V37-F146 HydrophobicContact CG2-CD2 4.31Å; V37-F146 HydrophobicContact CG2-CE1 4.36Å; V37-F146 HydrophobicContact CG2-CE2 3.95Å; V37-F146 HydrophobicContact CG2-CZ 3.98Å; Y38-F146 HydrophobicContact CE2-CE1 4.36Å; K143-F146 HydrophobicContact CG-CD1 4.28Å; K143-F146 PolarHBondContact O-N 3.47Å; F146-K148 PolarHBondContact O-N 3.29Å; F146-A149 PolarHBondContact O-N 3.46Å; F146-L150 HydrophobicContact CE1-CD2 3.77Å; F146-L150 HydrophobicContact CZ-CD2 3.86Å; F146-L150 WeakPolarHBondContact O-CB 3.25Å; F146-L150 PolarHBondContact O-N 2.99Å; F146-L194 HydrophobicContact CD2-CD1 3.99Å; F146-L194 HydrophobicContact CE2-CD1 3.71Å; F146-L194 HydrophobicContact CZ-CD1 4.48Å; F146-T198 WeakPolarHBondContact CD2-OG1 3.41Å; F146-T198 WeakPolarHBondContact CE2-OG1 3.43Å
147E93.8Very high87.9Confident43 Ų4365.1 Ų65.120%0.20131%0.311CS..Hα-helixtrans-58.8-34.4177.8-90.2-169.5-141.800112.7K143 K151K143-E147 WeakPolarHBondContact CE-OE1 3.32Å; K143-E147 HydrophobicContact CG-CG 4.01Å; K143-E147 IonicContact NZ-OE1 2.72Å; K143-E147 PolarHBondContact NZ-OE1 3.18Å; K143-E147 PolarHBondContact O-N 2.95Å; E147-K151 WeakPolarHBondContact O-CB 3.21Å; E147-K151 VanDerWaalsContact O-CD 3.28Å; E147-K151 WeakPolarHBondContact O-CD 3.45Å; E147-K151 WeakPolarHBondContact O-CG 3.21Å; E147-K151 PolarHBondContact O-N 3.13Å; E147-K151 VanDerWaalsContact O-N 3.07Å; E147-K151 IonicContact OE2-NZ 2.74Å; E147-K151 PolarHBondContact OE2-NZ 2.78Å
148K94.5Very high88.6Confident137 Ų13765.1 Ų65.160%0.59631%0.311SS*.Hα-helixtrans-67.2-53.1174.6-174.6-172.6171.2-172.50111K144 P145 F146 L150 K151 D152K144-K148 PolarHBondContact O-N 3.37Å; P145-K148 WeakPolarHBondContact O-CB 3.46Å; P145-K148 PolarHBondContact O-N 3.14Å; F146-K148 PolarHBondContact O-N 3.29Å; K148-L150 PolarHBondContact O-N 2.9Å; K148-K151 PolarHBondContact O-N 3.17Å; K148-K151 VanDerWaalsContact O-N 3.14Å; K148-D152 WeakPolarHBondContact CE-OD2 3.45Å; K148-D152 WeakPolarHBondContact O-CB 3.33Å; K148-D152 VanDerWaalsContact O-CG 3.32Å; K148-D152 PolarHBondContact O-N 3.29Å
149A94.6Very high89.4Confident5 Ų569.3 Ų69.34%0.04133%0.329CS..Hα-helixtrans-62-32.9-179.800000112.8P145 F146 Y153 R193 L194 E197P145-A149 PolarHBondContact O-N 3.4Å; F146-A149 PolarHBondContact O-N 3.46Å; A149-Y153 VanDerWaalsContact O-CB 3.32Å; A149-Y153 WeakPolarHBondContact O-CB 3.12Å; A149-Y153 PolarHBondContact O-N 3.44Å; A149-R193 HydrophobicContact CB-CG 4.14Å; A149-L194 HydrophobicContact CB-CD1 4.48Å; A149-E197 HydrophobicContact CB-CB 4.22Å; A149-E197 HydrophobicContact CB-CG 3.76Å
150L94.8Very high90.2Very high2 Ų263.7 Ų63.71%0.0131%0.305CS..Hα-helixtrans-67.1-45173.7-174.457000111.8I30 R34 F146 K148 Y153 E154 L194I30-L150 HydrophobicContact CG2-CD1 3.9Å; R34-L150 HydrophobicContact CB-CD2 4.24Å; R34-L150 HydrophobicContact CG-CD2 4.09Å; F146-L150 HydrophobicContact CE1-CD2 3.77Å; F146-L150 HydrophobicContact CZ-CD2 3.86Å; F146-L150 WeakPolarHBondContact O-CB 3.25Å; F146-L150 PolarHBondContact O-N 2.99Å; K148-L150 PolarHBondContact O-N 2.9Å; L150-Y153 PolarHBondContact O-N 3.07Å; L150-E154 HydrophobicContact CD1-CG 4.39Å; L150-E154 WeakPolarHBondContact O-CB 3.37Å; L150-E154 WeakPolarHBondContact O-CG 3.5Å; L150-E154 PolarHBondContact O-N 2.95Å; L150-L194 HydrophobicContact CB-CD1 3.95Å; L150-L194 HydrophobicContact CD1-CD1 4.16Å; L150-L194 HydrophobicContact CD1-CD2 3.92Å
151K94.9Very high91.1Very high110 Ų11065.1 Ų65.148%0.47830%0.295SS..Hα-helixtrans-64-41.3174.8-72.9162.2-167.2162.50112.1E147 K148 E154 Y155E147-K151 WeakPolarHBondContact O-CB 3.21Å; E147-K151 VanDerWaalsContact O-CD 3.28Å; E147-K151 WeakPolarHBondContact O-CD 3.45Å; E147-K151 WeakPolarHBondContact O-CG 3.21Å; E147-K151 PolarHBondContact O-N 3.13Å; E147-K151 VanDerWaalsContact O-N 3.07Å; E147-K151 IonicContact OE2-NZ 2.74Å; E147-K151 PolarHBondContact OE2-NZ 2.78Å; K148-K151 PolarHBondContact O-N 3.17Å; K148-K151 VanDerWaalsContact O-N 3.14Å; K151-E154 PolarHBondContact O-N 3.49Å; K151-Y155 VanDerWaalsContact O-CB 3.3Å; K151-Y155 WeakPolarHBondContact O-CB 3.4Å; K151-Y155 PolarHBondContact O-N 2.94Å
152D94.3Very high91.6Very high80 Ų8067.9 Ų67.943%0.42830%0.304SS..Hα-helixtrans-62.8-42.8176.1-70.3-20.6000110.7K148 K156K148-D152 WeakPolarHBondContact CE-OD2 3.45Å; K148-D152 WeakPolarHBondContact O-CB 3.33Å; K148-D152 VanDerWaalsContact O-CG 3.32Å; K148-D152 PolarHBondContact O-N 3.29Å; D152-K156 VanDerWaalsContact O-CB 3.23Å; D152-K156 WeakPolarHBondContact O-CB 3.4Å; D152-K156 PolarHBondContact O-N 3.15Å; D152-K156 VanDerWaalsContact O-N 3.13Å
153Y94.4Very high91.7Very high9 Ų970.1 Ų70.14%0.03531%0.313CS..Hα-helixtrans-64.3-49.5173.9176.6-89.6000112.6I30 A149 L150 Y155 K156 Y157 L187 E190 R191 L194I30-Y153 HydrophobicContact CD1-CD1 4.13Å; I30-Y153 HydrophobicContact CD1-CE1 3.39Å; I30-Y153 HydrophobicContact CD1-CE2 4.08Å; I30-Y153 WeakPolarHBondContact CD1-OH 3.42Å; A149-Y153 VanDerWaalsContact O-CB 3.32Å; A149-Y153 WeakPolarHBondContact O-CB 3.12Å; A149-Y153 PolarHBondContact O-N 3.44Å; L150-Y153 PolarHBondContact O-N 3.07Å; Y153-Y155 PolarHBondContact O-N 2.73Å; Y153-K156 PolarHBondContact O-N 3.44Å; Y153-Y157 HydrophobicContact CE1-CD2 4.28Å; Y153-Y157 VanDerWaalsContact O-CB 3.31Å; Y153-Y157 WeakPolarHBondContact O-CB 3.42Å; Y153-Y157 PolarHBondContact O-N 3.33Å; Y153-L187 HydrophobicContact CD2-CD2 4.22Å; Y153-L187 HydrophobicContact CE2-CB 4.35Å; Y153-L187 HydrophobicContact CE2-CD1 4.31Å; Y153-L187 HydrophobicContact CE2-CD2 3.94Å; Y153-L187 HydrophobicContact CE2-CG 4.45Å; Y153-E190 HydrophobicContact CD2-CB 4.12Å; Y153-R191 HydrophobicContact CD2-CB 4.4Å; Y153-R191 HydrophobicContact CE2-CB 4.08Å; Y153-R191 HydrophobicContact CE2-CG 4.33Å; Y153-L194 HydrophobicContact CD1-CD2 4.44Å; Y153-L194 HydrophobicContact CG-CD2 4.27Å
154E93.2Very high91.2Very high71 Ų7172.1 Ų72.133%0.33232%0.322SS..Hα-helixtrans-61.5-45.1-179.1-74.6178.1131.400111.5R34 L150 K151 K156 Y157 D158R34-E154 IonicContact CZ-OE1 2.68Å; R34-E154 VanDerWaalsContact CZ-OE1 3.28Å; R34-E154 IonicContact CZ-OE2 3.56Å; R34-E154 IonicContact NH1-OE1 3.41Å; R34-E154 PolarHBondContact NH1-OE1 2.8Å; R34-E154 IonicContact NH1-OE2 3.63Å; R34-E154 IonicContact NH2-OE1 3.06Å; R34-E154 PolarHBondContact NH2-OE1 3.47Å; R34-E154 IonicContact NH2-OE2 2.78Å; R34-E154 PolarHBondContact NH2-OE2 3.48Å; L150-E154 HydrophobicContact CD1-CG 4.39Å; L150-E154 WeakPolarHBondContact O-CB 3.37Å; L150-E154 WeakPolarHBondContact O-CG 3.5Å; L150-E154 PolarHBondContact O-N 2.95Å; K151-E154 PolarHBondContact O-N 3.49Å; E154-K156 PolarHBondContact O-N 3.3Å; E154-Y157 PolarHBondContact O-N 2.88Å; E154-D158 VanDerWaalsContact O-CB 3.3Å; E154-D158 WeakPolarHBondContact O-CB 3.31Å; E154-D158 PolarHBondContact O-N 3.23Å
155Y93.7Very high90.7Very high170 Ų17070.5 Ų70.567%0.66732%0.318SS*.Hα-helixtrans-59.4-44.6175.4174.1-100.2000112.3K151 Y153 K159K151-Y155 VanDerWaalsContact O-CB 3.3Å; K151-Y155 WeakPolarHBondContact O-CB 3.4Å; K151-Y155 PolarHBondContact O-N 2.94Å; Y153-Y155 PolarHBondContact O-N 2.73Å; Y155-K159 VanDerWaalsContact O-CB 3.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.46Å; Y155-K159 PolarHBondContact O-N 2.91Å
156K92.3Very high90.3Very high61 Ų6171.8 Ų71.827%0.26532%0.319SS..Hα-helixtrans-66.8-42.5178.7176.370.1164.5153.10112D152 Y153 E154 L160 D186 L187 E190D152-K156 VanDerWaalsContact O-CB 3.23Å; D152-K156 WeakPolarHBondContact O-CB 3.4Å; D152-K156 PolarHBondContact O-N 3.15Å; D152-K156 VanDerWaalsContact O-N 3.13Å; Y153-K156 PolarHBondContact O-N 3.44Å; E154-K156 PolarHBondContact O-N 3.3Å; K156-L160 HydrophobicContact CD-CD1 4.04Å; K156-L160 HydrophobicContact CG-CD1 4.14Å; K156-L160 WeakPolarHBondContact O-CB 3.24Å; K156-L160 PolarHBondContact O-N 3.21Å; K156-D186 WeakPolarHBondContact CE-O 3.46Å; K156-D186 PolarHBondContact NZ-O 3.05Å; K156-L187 HydrophobicContact CB-CD2 4.17Å; K156-L187 HydrophobicContact CG-CD2 3.58Å; K156-E190 HydrophobicContact CB-CG 4.14Å; K156-E190 VanDerWaalsContact CE-OE2 3.28Å; K156-E190 WeakPolarHBondContact CE-OE2 3.42Å; K156-E190 HydrophobicContact CG-CB 4.49Å; K156-E190 HydrophobicContact CG-CG 3.95Å
157Y90.6Very high89.5Confident79 Ų7975 Ų7531%0.3134%0.339SS..Hα-helixtrans-58.9-50.5174.9177.5-81.3000110.5Y153 E154 K159 L160 R161 M183 L187Y153-Y157 HydrophobicContact CE1-CD2 4.28Å; Y153-Y157 VanDerWaalsContact O-CB 3.31Å; Y153-Y157 WeakPolarHBondContact O-CB 3.42Å; Y153-Y157 PolarHBondContact O-N 3.33Å; E154-Y157 PolarHBondContact O-N 2.88Å; Y157-K159 PolarHBondContact O-N 3.18Å; Y157-L160 PolarHBondContact O-N 3.27Å; Y157-R161 VanDerWaalsContact O-CB 3.28Å; Y157-R161 WeakPolarHBondContact O-CB 3.4Å; Y157-R161 PolarHBondContact O-N 2.93Å; Y157-M183 HydrophobicContact CD1-CE 4.05Å; Y157-M183 HydrophobicContact CD2-CE 3.45Å; Y157-M183 VanDerWaalsContact CD2-CE 3.45Å; Y157-M183 HydrophobicContact CE1-CE 4.09Å; Y157-M183 HydrophobicContact CE2-CE 3.49Å; Y157-M183 VanDerWaalsContact CE2-CE 3.49Å; Y157-M183 HydrophobicContact CG-CE 3.71Å; Y157-M183 VanDerWaalsContact O-CE 3.27Å; Y157-M183 WeakPolarHBondContact O-CE 3.49Å; Y157-L187 HydrophobicContact CD2-CD1 3.73Å; Y157-L187 HydrophobicContact CG-CD1 4.48Å
158D90.2Very high88.7Confident59 Ų5974.5 Ų74.532%0.31634%0.337SS..Hα-helixtrans-72-32.3-174.3-14245.6000112E154 K162E154-D158 VanDerWaalsContact O-CB 3.3Å; E154-D158 WeakPolarHBondContact O-CB 3.31Å; E154-D158 PolarHBondContact O-N 3.23Å; D158-K162 VanDerWaalsContact O-CD 3.29Å; D158-K162 WeakPolarHBondContact O-CD 3.26Å; D158-K162 VanDerWaalsContact O-CG 3.26Å; D158-K162 WeakPolarHBondContact O-CG 3.4Å; D158-K162 PolarHBondContact O-N 3.4Å; D158-K162 VanDerWaalsContact O-N 3.15Å; D158-K162 IonicContact OD2-NZ 3.19Å; D158-K162 PolarHBondContact OD2-NZ 3.47Å
159K90.5Very high88Confident97 Ų9774.9 Ų74.942%0.42234%0.339SS..Hα-helixtrans-63-53.6168.9177.8172.8173.6174.90111.6Y155 Y157 R161 K162 E163Y155-K159 VanDerWaalsContact O-CB 3.28Å; Y155-K159 WeakPolarHBondContact O-CB 3.46Å; Y155-K159 PolarHBondContact O-N 2.91Å; Y157-K159 PolarHBondContact O-N 3.18Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.02Å; K159-K162 WeakPolarHBondContact O-CB 3.36Å; K159-K162 PolarHBondContact O-N 3.11Å; K159-K162 VanDerWaalsContact O-N 3.13Å; K159-E163 VanDerWaalsContact CE-CD 3.43Å; K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 HydrophobicContact CG-CG 4.41Å; K159-E163 IonicContact NZ-OE1 3.57Å; K159-E163 WeakPolarHBondContact O-CG 3.41Å; K159-E163 PolarHBondContact O-N 3.43Å
160L86.8Confident87.3Confident9 Ų981 Ų815%0.04737%0.366CS..Hα-helixtrans-60.5-40.8178.9-83.1161.2000112.1K156 Y157 K162 E163 K164 M183 D186 L187K156-L160 HydrophobicContact CD-CD1 4.04Å; K156-L160 HydrophobicContact CG-CD1 4.14Å; K156-L160 WeakPolarHBondContact O-CB 3.24Å; K156-L160 PolarHBondContact O-N 3.21Å; Y157-L160 PolarHBondContact O-N 3.27Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.29Å; L160-E163 PolarHBondContact O-N 3.39Å; L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 VanDerWaalsContact O-CG 3.27Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 3.48Å; L160-M183 HydrophobicContact CB-CE 4.31Å; L160-D186 HydrophobicContact CD1-CB 3.57Å; L160-D186 HydrophobicContact CD2-CB 3.64Å; L160-D186 HydrophobicContact CG-CB 4.27Å; L160-L187 HydrophobicContact CD1-CD2 4.04Å; L160-L187 HydrophobicContact CD1-CG 3.85Å
161R84.9Confident86.4Confident128 Ų12885.2 Ų85.248%0.48339%0.393SS..Hα-helixtrans-57.3-43.3175-173.9-179.8-176.5-169.35.2111.7Y157 K159 L165 M183Y157-R161 VanDerWaalsContact O-CB 3.28Å; Y157-R161 WeakPolarHBondContact O-CB 3.4Å; Y157-R161 PolarHBondContact O-N 2.93Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.02Å; R161-L165 WeakPolarHBondContact O-CB 3.47Å; R161-L165 PolarHBondContact O-N 3.41Å; R161-L165 VanDerWaalsContact O-N 3.09Å; R161-M183 HydrophobicContact CB-CE 4.02Å
162K88Confident85.2Confident127 Ų12783.4 Ų83.455%0.55241%0.405SS*.Hα-helixtrans-68.5-45176.4-72.7160.6-178.9149.40111.7D158 K159 L160 L165 Q166D158-K162 VanDerWaalsContact O-CD 3.29Å; D158-K162 WeakPolarHBondContact O-CD 3.26Å; D158-K162 VanDerWaalsContact O-CG 3.26Å; D158-K162 WeakPolarHBondContact O-CG 3.4Å; D158-K162 PolarHBondContact O-N 3.4Å; D158-K162 VanDerWaalsContact O-N 3.15Å; D158-K162 IonicContact OD2-NZ 3.19Å; D158-K162 PolarHBondContact OD2-NZ 3.47Å; K159-K162 WeakPolarHBondContact O-CB 3.36Å; K159-K162 PolarHBondContact O-N 3.11Å; K159-K162 VanDerWaalsContact O-N 3.13Å; L160-K162 VanDerWaalsContact C-N 3.3Å; L160-K162 PolarHBondContact O-N 3.29Å; K162-L165 PolarHBondContact O-N 2.74Å; K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 2.94Å
163E85.4Confident83.7Confident89 Ų8983.2 Ų83.242%0.41641%0.409SS..Hα-helixtrans-62.1-52.9178.7-72172.8154.100111.8K159 L160 L165 Q166 T167K159-E163 VanDerWaalsContact CE-CD 3.43Å; K159-E163 WeakPolarHBondContact CE-OE1 3.49Å; K159-E163 HydrophobicContact CG-CG 4.41Å; K159-E163 IonicContact NZ-OE1 3.57Å; K159-E163 WeakPolarHBondContact O-CG 3.41Å; K159-E163 PolarHBondContact O-N 3.43Å; L160-E163 PolarHBondContact O-N 3.39Å; E163-L165 VanDerWaalsContact C-N 3.35Å; E163-L165 PolarHBondContact O-N 2.72Å; E163-Q166 WeakPolarHBondContact O-CB 3.3Å; E163-Q166 PolarHBondContact O-N 2.82Å; E163-Q166 VanDerWaalsContact O-N 3.12Å; E163-T167 PolarHBondContact O-N 3.49Å; E163-T167 PolarHBondContact O-OG1 3.39Å; E163-T167 VanDerWaalsContact O-OG1 3.12Å
164K81.1Confident82.3Confident62 Ų6291.2 Ų91.227%0.2744%0.44SS..Hα-helixtrans-63.9-37.6178.4-58.4-70.3-176.5-177.20112.1L160 Q166 T167 M168 F179 D186L160-K164 WeakPolarHBondContact O-CB 3.46Å; L160-K164 VanDerWaalsContact O-CG 3.27Å; L160-K164 WeakPolarHBondContact O-CG 3.48Å; L160-K164 PolarHBondContact O-N 3.48Å; K164-Q166 VanDerWaalsContact C-N 3.31Å; K164-Q166 PolarHBondContact O-N 3.35Å; K164-T167 PolarHBondContact O-N 3.44Å; K164-M168 WeakPolarHBondContact O-CG 3.48Å; K164-M168 PolarHBondContact O-N 3.31Å; K164-F179 HydrophobicContact CB-CD2 3.68Å; K164-F179 HydrophobicContact CB-CE2 3.53Å; K164-F179 HydrophobicContact CG-CD2 4.46Å; K164-F179 HydrophobicContact CG-CE2 4.4Å; K164-D186 WeakPolarHBondContact CE-OD2 3.46Å; K164-D186 IonicContact NZ-OD2 2.68Å; K164-D186 PolarHBondContact NZ-OD2 3.45Å
165L81.2Confident80.8Confident83 Ų8390.8 Ų90.844%0.43544%0.443SS..Hα-helixtrans-65.9-33.3174.7-178.761.6000112.2R161 K162 E163 M168 K169R161-L165 WeakPolarHBondContact O-CB 3.47Å; R161-L165 PolarHBondContact O-N 3.41Å; R161-L165 VanDerWaalsContact O-N 3.09Å; K162-L165 PolarHBondContact O-N 2.74Å; E163-L165 VanDerWaalsContact C-N 3.35Å; E163-L165 PolarHBondContact O-N 2.72Å; L165-M168 HydrophobicContact CB-CE 4.44Å; L165-M168 HydrophobicContact CD1-CE 4.01Å; L165-K169 WeakPolarHBondContact O-CG 3.43Å; L165-K169 PolarHBondContact O-N 3.05Å
166Q82.6Confident79.3Confident85 Ų8585.8 Ų85.840%0.39743%0.431SS..Hα-helixtrans-70-45.4172.9-17659.224.100111.1K162 E163 K164 M168 K169 E170K162-Q166 WeakPolarHBondContact O-CB 3.46Å; K162-Q166 PolarHBondContact O-N 2.94Å; E163-Q166 WeakPolarHBondContact O-CB 3.3Å; E163-Q166 PolarHBondContact O-N 2.82Å; E163-Q166 VanDerWaalsContact O-N 3.12Å; K164-Q166 VanDerWaalsContact C-N 3.31Å; K164-Q166 PolarHBondContact O-N 3.35Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.41Å; Q166-K169 WeakPolarHBondContact O-CB 3.35Å; Q166-K169 PolarHBondContact O-N 2.8Å; Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 2.91Å; Q166-E170 WeakPolarHBondContact O-CG 3.17Å; Q166-E170 PolarHBondContact O-N 2.96Å
167T78.4Confident77.7Confident69 Ų6990.3 Ų90.342%0.42345%0.453SS..Hα-helixtrans-59.9-36.5174.7-50.20000112.7E163 K164 K169 E170 T171E163-T167 PolarHBondContact O-N 3.49Å; E163-T167 PolarHBondContact O-OG1 3.39Å; E163-T167 VanDerWaalsContact O-OG1 3.12Å; K164-T167 PolarHBondContact O-N 3.44Å; T167-K169 VanDerWaalsContact C-N 3.34Å; T167-K169 PolarHBondContact O-N 3.31Å; T167-E170 PolarHBondContact O-N 2.88Å; T167-T171 HydrophobicContact CG2-CG2 4.04Å; T167-T171 WeakPolarHBondContact O-CB 3.2Å; T167-T171 WeakPolarHBondContact O-CG2 3.16Å; T167-T171 PolarHBondContact O-N 3.43Å; T167-T171 PolarHBondContact O-OG1 3.01Å
168M76.2Confident76.2Confident33 Ų3389.3 Ų89.316%0.16346%0.461CS..Hα-helixtrans-66.1-33174.1-73.9-173.9-63.400112.9K164 L165 Q166 G172 Y174 F179K164-M168 WeakPolarHBondContact O-CG 3.48Å; K164-M168 PolarHBondContact O-N 3.31Å; L165-M168 HydrophobicContact CB-CE 4.44Å; L165-M168 HydrophobicContact CD1-CE 4.01Å; Q166-M168 VanDerWaalsContact C-N 3.3Å; Q166-M168 PolarHBondContact O-N 3.41Å; M168-G172 PolarHBondContact O-N 3.09Å; M168-G172 VanDerWaalsContact O-N 3.16Å; M168-Y174 HydrophobicContact CE-CD2 4.47Å; M168-Y174 HydrophobicContact CE-CE2 4.37Å; M168-Y174 HydrophobicContact SD-CD2 3.66Å; M168-Y174 HydrophobicContact SD-CE2 4Å; M168-F179 HydrophobicContact CE-CD2 3.5Å; M168-F179 VanDerWaalsContact CE-CD2 3.5Å; M168-F179 HydrophobicContact CE-CE2 3.72Å; M168-F179 HydrophobicContact SD-CD2 4.11Å
169K80.4Confident75.2Confident145 Ų14589 Ų8963%0.6346%0.457SS*.Hα-helixtrans-70-36.6172.3-67.4169.6-176.4176.70112.3L165 Q166 T167L165-K169 WeakPolarHBondContact O-CG 3.43Å; L165-K169 PolarHBondContact O-N 3.05Å; Q166-K169 WeakPolarHBondContact O-CB 3.35Å; Q166-K169 PolarHBondContact O-N 2.8Å; T167-K169 VanDerWaalsContact C-N 3.34Å; T167-K169 PolarHBondContact O-N 3.31Å
170E80.2Confident74.2Confident132 Ų13288.3 Ų88.362%0.61746%0.461SS*.Hα-helixtrans-77.9-34.2-177.3-71.1164.4175.800112.9Q166 T167Q166-E170 WeakPolarHBondContact CG-OE1 3.42Å; Q166-E170 PolarHBondContact NE2-OE1 2.91Å; Q166-E170 WeakPolarHBondContact O-CG 3.17Å; Q166-E170 PolarHBondContact O-N 2.96Å; T167-E170 PolarHBondContact O-N 2.88Å
171T75.6Confident73.5Confident92 Ų9292 Ų9256%0.56448%0.478SS*.Hα-helixtrans-92.2-14.3-179.556.50000114T167 C173T167-T171 HydrophobicContact CG2-CG2 4.04Å; T167-T171 WeakPolarHBondContact O-CB 3.2Å; T167-T171 WeakPolarHBondContact O-CG2 3.16Å; T167-T171 PolarHBondContact O-N 3.43Å; T167-T171 PolarHBondContact O-OG1 3.01Å; T171-C173 PolarHBondContact O-N 2.76Å; T171-C173 VanDerWaalsContact O-N 3.09Å
172G69.5Low73.1Confident71 Ų7186.8 Ų86.873%0.73246%0.464SS*.  trans66.94.1-179.300000115.3M168M168-G172 PolarHBondContact O-N 3.09Å; M168-G172 VanDerWaalsContact O-N 3.16Å
173C62.4Low72.8Confident76 Ų7681.2 Ų81.251%0.51444%0.441SS..  trans-111117.2-175.3-165.70000110.6T171T171-C173 PolarHBondContact O-N 2.76Å; T171-C173 VanDerWaalsContact O-N 3.09Å
174Y64.3Low72.6Confident177 Ų17778 Ų7869%0.69443%0.427SS*.  trans-102.3102.6-178.7-175.7-105.3000110.5M168 P176M168-Y174 HydrophobicContact CE-CD2 4.47Å; M168-Y174 HydrophobicContact CE-CE2 4.37Å; M168-Y174 HydrophobicContact SD-CD2 3.66Å; M168-Y174 HydrophobicContact SD-CE2 4Å; Y174-P176 HydrophobicContact CD1-CG 4.1Å; Y174-P176 HydrophobicContact CE1-CG 3.54Å
175V63.2Low72.8Confident63 Ų6380.4 Ų80.438%0.38244%0.437SS..  trans-124.994.6179.7-173.40000109.6E177 A178 F179V175-E177 VanDerWaalsContact C-N 3.28Å; V175-E177 PolarHBondContact O-N 2.75Å; V175-A178 HydrophobicContact CB-CB 4.2Å; V175-A178 HydrophobicContact CG1-CB 3.88Å; V175-A178 PolarHBondContact O-N 3.48Å; V175-F179 PolarHBondContact O-N 3.26Å
176P62.1Low73Confident65 Ų6579.4 Ų79.442%0.42243%0.432SS..Hα-helixtrans-57.9-36.2-176.7-28.236.4000114.4Y174 F179 T180Y174-P176 HydrophobicContact CD1-CG 4.1Å; Y174-P176 HydrophobicContact CE1-CG 3.54Å; P176-F179 WeakPolarHBondContact O-CB 3.43Å; P176-F179 PolarHBondContact O-N 3.02Å; P176-T180 PolarHBondContact O-N 3.29Å; P176-T180 PolarHBondContact O-OG1 2.84Å
177E59.3Low73.3Confident155 Ų15575.4 Ų75.472%0.72441%0.414SS*.Hα-helixtrans-66.2-46.2-176.2-63.2165.7164.700111.2V175 F179 T180 E181V175-E177 VanDerWaalsContact C-N 3.28Å; V175-E177 PolarHBondContact O-N 2.75Å; E177-F179 VanDerWaalsContact C-N 3.31Å; E177-F179 PolarHBondContact O-N 3.17Å; E177-T180 WeakPolarHBondContact CA-OG1 3.43Å; E177-T180 PolarHBondContact O-N 3.4Å; E177-T180 PolarHBondContact O-OG1 3.37Å; E177-E181 PolarHBondContact O-N 3.04Å
178A59.1Low73.9Confident59 Ų5974.9 Ų74.949%0.48841%0.406SS..Hα-helixtrans-65.7-32.9174.300000112.5V175 G182V175-A178 HydrophobicContact CB-CB 4.2Å; V175-A178 HydrophobicContact CG1-CB 3.88Å; V175-A178 PolarHBondContact O-N 3.48Å; A178-G182 PolarHBondContact O-N 3.19Å; A178-G182 VanDerWaalsContact O-N 3.07Å
179F67.2Low74.6Confident51 Ų5181 Ų8122%0.22443%0.432CS..Hα-helixtrans-61.8-49.3171179-80.1000110.6K164 M168 V175 P176 E177 M183K164-F179 HydrophobicContact CB-CD2 3.68Å; K164-F179 HydrophobicContact CB-CE2 3.53Å; K164-F179 HydrophobicContact CG-CD2 4.46Å; K164-F179 HydrophobicContact CG-CE2 4.4Å; M168-F179 HydrophobicContact CE-CD2 3.5Å; M168-F179 VanDerWaalsContact CE-CD2 3.5Å; M168-F179 HydrophobicContact CE-CE2 3.72Å; M168-F179 HydrophobicContact SD-CD2 4.11Å; V175-F179 PolarHBondContact O-N 3.26Å; P176-F179 WeakPolarHBondContact O-CB 3.43Å; P176-F179 PolarHBondContact O-N 3.02Å; E177-F179 VanDerWaalsContact C-N 3.31Å; E177-F179 PolarHBondContact O-N 3.17Å; F179-M183 HydrophobicContact CD1-SD 4.49Å; F179-M183 HydrophobicContact CE1-SD 3.66Å; F179-M183 HydrophobicContact CZ-SD 3.86Å; F179-M183 WeakPolarHBondContact O-CB 3.37Å; F179-M183 PolarHBondContact O-N 3.34Å
180T69.7Low75.2Confident84 Ų8475.9 Ų75.952%0.51541%0.411SS..Hα-helixtrans-65.8-45179.143.90000113.5P176 E177 T184P176-T180 PolarHBondContact O-N 3.29Å; P176-T180 PolarHBondContact O-OG1 2.84Å; E177-T180 WeakPolarHBondContact CA-OG1 3.43Å; E177-T180 PolarHBondContact O-N 3.4Å; E177-T180 PolarHBondContact O-OG1 3.37Å; T180-T184 WeakPolarHBondContact O-CB 3.27Å; T180-T184 PolarHBondContact O-N 3.16Å; T180-T184 PolarHBondContact O-OG1 2.72Å
181E72.3Confident75.8Confident86 Ų8669.6 Ų69.640%0.40238%0.381SS..Hα-helixtrans-69.2-41.9-177.1-155.2-153.3165.200111.6L22 E177 K185L22-E181 HydrophobicContact CD1-CG 3.95Å; L22-E181 WeakPolarHBondContact CD1-OE1 3.42Å; L22-E181 HydrophobicContact CD2-CG 3.74Å; L22-E181 HydrophobicContact CG-CG 4.42Å; E177-E181 PolarHBondContact O-N 3.04Å; E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.28Å; E181-K185 WeakPolarHBondContact OE1-CE 3.4Å; E181-K185 IonicContact OE1-NZ 3.69Å; E181-K185 PolarHBondContact OE1-NZ 3.48Å; E181-K185 IonicContact OE2-NZ 2.67Å
182G76.9Confident76.6Confident18 Ų1868.1 Ų68.119%0.18637%0.365CS..Hα-helixtrans-64.1-48.2175.300000112.2A178 T184 K185 D186A178-G182 PolarHBondContact O-N 3.19Å; A178-G182 VanDerWaalsContact O-N 3.07Å; G182-T184 VanDerWaalsContact C-N 3.29Å; G182-T184 PolarHBondContact O-N 2.92Å; G182-K185 PolarHBondContact O-N 3.14Å; G182-D186 WeakPolarHBondContact O-CB 3.31Å; G182-D186 VanDerWaalsContact O-CG 3.26Å; G182-D186 PolarHBondContact O-N 3.16Å
183M81.4Confident77.8Confident11 Ų1171.3 Ų71.35%0.05436%0.355CS..Hα-helixtrans-64.4-32.8-179.8-169.6168.2-176.500112.5Y157 L160 R161 F179 D186 L187Y157-M183 HydrophobicContact CD1-CE 4.05Å; Y157-M183 HydrophobicContact CD2-CE 3.45Å; Y157-M183 VanDerWaalsContact CD2-CE 3.45Å; Y157-M183 HydrophobicContact CE1-CE 4.09Å; Y157-M183 HydrophobicContact CE2-CE 3.49Å; Y157-M183 VanDerWaalsContact CE2-CE 3.49Å; Y157-M183 HydrophobicContact CG-CE 3.71Å; Y157-M183 VanDerWaalsContact O-CE 3.27Å; Y157-M183 WeakPolarHBondContact O-CE 3.49Å; L160-M183 HydrophobicContact CB-CE 4.31Å; R161-M183 HydrophobicContact CB-CE 4.02Å; F179-M183 HydrophobicContact CD1-SD 4.49Å; F179-M183 HydrophobicContact CE1-SD 3.66Å; F179-M183 HydrophobicContact CZ-SD 3.86Å; F179-M183 WeakPolarHBondContact O-CB 3.37Å; F179-M183 PolarHBondContact O-N 3.34Å; M183-D186 PolarHBondContact O-N 3.4Å; M183-L187 HydrophobicContact CE-CD1 4.08Å; M183-L187 HydrophobicContact CG-CD1 3.84Å; M183-L187 WeakPolarHBondContact O-CB 3.21Å; M183-L187 WeakPolarHBondContact O-CD1 3.49Å; M183-L187 WeakPolarHBondContact O-CG 3.38Å; M183-L187 PolarHBondContact O-N 2.88Å; M183-L187 VanDerWaalsContact O-N 3.15Å
184T81.5Confident79.3Confident20 Ų2067.7 Ų67.712%0.12333%0.331CS..Hα-helixtrans-65-43.5174.8-58.50000111.9L22 I27 T180 G182 E188 R191L22-T184 HydrophobicContact CD2-CG2 4.01Å; I27-T184 HydrophobicContact CD1-CG2 4.39Å; T180-T184 WeakPolarHBondContact O-CB 3.27Å; T180-T184 PolarHBondContact O-N 3.16Å; T180-T184 PolarHBondContact O-OG1 2.72Å; G182-T184 VanDerWaalsContact C-N 3.29Å; G182-T184 PolarHBondContact O-N 2.92Å; T184-E188 PolarHBondContact O-N 2.77Å; T184-R191 PolarHBondContact O-NH1 2.87Å
185K84.5Confident80.7Confident113 Ų11359.6 Ų59.649%0.49130%0.299SS..Hα-helixtrans-66.9-44.1175.3-67.1168.8-172.7170.80111.6E181 G182 L187 E188E181-K185 WeakPolarHBondContact O-CG 3.49Å; E181-K185 PolarHBondContact O-N 3.28Å; E181-K185 WeakPolarHBondContact OE1-CE 3.4Å; E181-K185 IonicContact OE1-NZ 3.69Å; E181-K185 PolarHBondContact OE1-NZ 3.48Å; E181-K185 IonicContact OE2-NZ 2.67Å; G182-K185 PolarHBondContact O-N 3.14Å; K185-L187 PolarHBondContact O-N 3.49Å; K185-E188 WeakPolarHBondContact O-CB 3.25Å; K185-E188 PolarHBondContact O-N 2.72Å
186D86.5Confident82.2Confident62 Ų6260.7 Ų60.733%0.33230%0.302SS..Hα-helixtrans-68.5-16.2-178.2-69.4-34.1000113.9K156 L160 K164 G182 M183K156-D186 WeakPolarHBondContact CE-O 3.46Å; K156-D186 PolarHBondContact NZ-O 3.05Å; L160-D186 HydrophobicContact CD1-CB 3.57Å; L160-D186 HydrophobicContact CD2-CB 3.64Å; L160-D186 HydrophobicContact CG-CB 4.27Å; K164-D186 WeakPolarHBondContact CE-OD2 3.46Å; K164-D186 IonicContact NZ-OD2 2.68Å; K164-D186 PolarHBondContact NZ-OD2 3.45Å; G182-D186 WeakPolarHBondContact O-CB 3.31Å; G182-D186 VanDerWaalsContact O-CG 3.26Å; G182-D186 PolarHBondContact O-N 3.16Å; M183-D186 PolarHBondContact O-N 3.4Å
187L89.4Confident83.8Confident1 Ų158.9 Ų58.91%0.00529%0.288CS..THydrogen-bonded Turntrans-103.4-4.1176.8-78.2167.5000114.7Y153 K156 Y157 L160 M183 K185 K189 E190 R191Y153-L187 HydrophobicContact CD2-CD2 4.22Å; Y153-L187 HydrophobicContact CE2-CB 4.35Å; Y153-L187 HydrophobicContact CE2-CD1 4.31Å; Y153-L187 HydrophobicContact CE2-CD2 3.94Å; Y153-L187 HydrophobicContact CE2-CG 4.45Å; K156-L187 HydrophobicContact CB-CD2 4.17Å; K156-L187 HydrophobicContact CG-CD2 3.58Å; Y157-L187 HydrophobicContact CD2-CD1 3.73Å; Y157-L187 HydrophobicContact CG-CD1 4.48Å; L160-L187 HydrophobicContact CD1-CD2 4.04Å; L160-L187 HydrophobicContact CD1-CG 3.85Å; M183-L187 HydrophobicContact CE-CD1 4.08Å; M183-L187 HydrophobicContact CG-CD1 3.84Å; M183-L187 WeakPolarHBondContact O-CB 3.21Å; M183-L187 WeakPolarHBondContact O-CD1 3.49Å; M183-L187 WeakPolarHBondContact O-CG 3.38Å; M183-L187 PolarHBondContact O-N 2.88Å; M183-L187 VanDerWaalsContact O-N 3.15Å; K185-L187 PolarHBondContact O-N 3.49Å; L187-K189 VanDerWaalsContact C-N 3.29Å; L187-K189 PolarHBondContact O-N 2.86Å; L187-E190 PolarHBondContact O-N 3.01Å; L187-R191 WeakPolarHBondContact O-CB 3.48Å; L187-R191 PolarHBondContact O-N 2.87Å
188E89.5Confident85.4Confident58 Ų5851.6 Ų51.627%0.27125%0.254SS..Hα-helixtrans-51.5-46.6-171.4-176.366.9-162.100112.6T184 K185 R191 R192T184-E188 PolarHBondContact O-N 2.77Å; K185-E188 WeakPolarHBondContact O-CB 3.25Å; K185-E188 PolarHBondContact O-N 2.72Å; E188-R191 PolarHBondContact O-N 2.82Å; E188-R191 IonicContact OE1-NH2 2.89Å; E188-R191 IonicContact OE2-CZ 3.86Å; E188-R191 IonicContact OE2-NH1 2.85Å; E188-R191 PolarHBondContact OE2-NH1 3.35Å; E188-R191 IonicContact OE2-NH2 2.71Å; E188-R191 PolarHBondContact OE2-NH2 3.36Å; E188-R192 HydrophobicContact CG-CG 4.46Å; E188-R192 WeakPolarHBondContact O-CB 3.42Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 3.34Å; E188-R192 IonicContact OE1-CZ 3.38Å; E188-R192 IonicContact OE1-NE 3.25Å; E188-R192 PolarHBondContact OE1-NE 3.25Å; E188-R192 IonicContact OE1-NH2 3.5Å; E188-R192 PolarHBondContact OE1-NH2 3.48Å; E188-R192 IonicContact OE2-NH2 3.08Å
189K91.2Very high87.1Confident162 Ų16250.9 Ų50.970%0.70425%0.245SC*.Hα-helixtrans-62.8-49-177.6-179.1-172.5175-165.70112.5L187 R193L187-K189 VanDerWaalsContact C-N 3.29Å; L187-K189 PolarHBondContact O-N 2.86Å; K189-R193 PolarHBondContact O-N 2.86Å
190E93.3Very high88.3Confident38 Ų3852.4 Ų52.418%0.17825%0.253CS..Hα-helixtrans-70.9-36.5-179.9-69.171.4-15400111.4Y153 K156 L187 R193 L194Y153-E190 HydrophobicContact CD2-CB 4.12Å; K156-E190 HydrophobicContact CB-CG 4.14Å; K156-E190 VanDerWaalsContact CE-OE2 3.28Å; K156-E190 WeakPolarHBondContact CE-OE2 3.42Å; K156-E190 HydrophobicContact CG-CB 4.49Å; K156-E190 HydrophobicContact CG-CG 3.95Å; L187-E190 PolarHBondContact O-N 3.01Å; E190-R193 PolarHBondContact O-N 2.65Å; E190-L194 PolarHBondContact O-N 3Å
191R92.8Very high89.5Confident0 Ų048.8 Ų48.80%023%0.23CC..Hα-helixtrans-62.6-45.7174.8-162.8172.284.4-93.6-12.8111.6D17 F26 Y153 T184 L187 E188 R193 L194 Q195D17-R191 IonicContact OD1-CZ 2.73Å; D17-R191 IonicContact OD1-NE 2.78Å; D17-R191 PolarHBondContact OD1-NE 2.85Å; D17-R191 IonicContact OD1-NH2 3.66Å; D17-R191 PolarHBondContact OD1-NH2 3.03Å; D17-R191 IonicContact OD2-CZ 3.12Å; D17-R191 IonicContact OD2-NE 2.66Å; D17-R191 PolarHBondContact OD2-NE 2.82Å; D17-R191 IonicContact OD2-NH2 2.77Å; D17-R191 PolarHBondContact OD2-NH2 3.22Å; F26-R191 HydrophobicContact CD1-CG 3.99Å; F26-R191 HydrophobicContact CE1-CG 4.06Å; Y153-R191 HydrophobicContact CD2-CB 4.4Å; Y153-R191 HydrophobicContact CE2-CB 4.08Å; Y153-R191 HydrophobicContact CE2-CG 4.33Å; T184-R191 PolarHBondContact O-NH1 2.87Å; L187-R191 WeakPolarHBondContact O-CB 3.48Å; L187-R191 PolarHBondContact O-N 2.87Å; E188-R191 PolarHBondContact O-N 2.82Å; E188-R191 IonicContact OE1-NH2 2.89Å; E188-R191 IonicContact OE2-CZ 3.86Å; E188-R191 IonicContact OE2-NH1 2.85Å; E188-R191 PolarHBondContact OE2-NH1 3.35Å; E188-R191 IonicContact OE2-NH2 2.71Å; E188-R191 PolarHBondContact OE2-NH2 3.36Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 PolarHBondContact O-N 3.09Å; R191-L194 PolarHBondContact O-N 3.5Å; R191-Q195 WeakPolarHBondContact O-CG 3.35Å; R191-Q195 PolarHBondContact O-N 2.83Å
192R92.9Very high90.5Very high61 Ų6145.7 Ų45.723%0.2322%0.216CC..Hα-helixtrans-62.8-37.2174-67.8-75.1171.2-125.4-8.5112.4D17 E188 L196D17-R192 PolarHBondContact O-NH2 3.23Å; D17-R192 IonicContact OD2-CZ 2.58Å; D17-R192 VanDerWaalsContact OD2-CZ 3.28Å; D17-R192 IonicContact OD2-NH1 2.64Å; D17-R192 PolarHBondContact OD2-NH1 2.96Å; D17-R192 IonicContact OD2-NH2 2.75Å; D17-R192 PolarHBondContact OD2-NH2 3.39Å; E188-R192 HydrophobicContact CG-CG 4.46Å; E188-R192 WeakPolarHBondContact O-CB 3.42Å; E188-R192 WeakPolarHBondContact O-CG 3.44Å; E188-R192 PolarHBondContact O-N 3.34Å; E188-R192 IonicContact OE1-CZ 3.38Å; E188-R192 IonicContact OE1-NE 3.25Å; E188-R192 PolarHBondContact OE1-NE 3.25Å; E188-R192 IonicContact OE1-NH2 3.5Å; E188-R192 PolarHBondContact OE1-NH2 3.48Å; E188-R192 IonicContact OE2-NH2 3.08Å; R192-L196 WeakPolarHBondContact O-CB 3.45Å; R192-L196 PolarHBondContact O-N 3.36Å
193R93.6Very high91.2Very high137 Ų13749.1 Ų49.152%0.51723%0.229SC..Hα-helixtrans-68.5-41.4176.3-170.760.2-179.4-139.712.9111.8A149 K189 E190 R191 L196 E197A149-R193 HydrophobicContact CB-CG 4.14Å; K189-R193 PolarHBondContact O-N 2.86Å; E190-R193 PolarHBondContact O-N 2.65Å; R191-R193 VanDerWaalsContact C-N 3.34Å; R191-R193 PolarHBondContact O-N 3.09Å; R193-L196 PolarHBondContact O-N 2.97Å; R193-E197 HydrophobicContact CG-CG 4.37Å; R193-E197 IonicContact CZ-OE1 3.1Å; R193-E197 IonicContact NE-OE1 2.72Å; R193-E197 PolarHBondContact NE-OE1 3.47Å; R193-E197 IonicContact NH2-OE1 2.62Å; R193-E197 PolarHBondContact NH2-OE1 2.89Å; R193-E197 WeakPolarHBondContact O-CG 3.22Å; R193-E197 PolarHBondContact O-N 2.8Å
194L94.3Very high91.6Very high1 Ų152.1 Ų52.11%0.00524%0.242CC..Hα-helixtrans-61.8-43.8174.8179.459.2000111.8I30 F146 A149 L150 Y153 E190 R191 T198I30-L194 HydrophobicContact CD1-CD2 4.21Å; I30-L194 HydrophobicContact CG1-CD2 4.35Å; I30-L194 HydrophobicContact CG2-CD2 4.03Å; F146-L194 HydrophobicContact CD2-CD1 3.99Å; F146-L194 HydrophobicContact CE2-CD1 3.71Å; F146-L194 HydrophobicContact CZ-CD1 4.48Å; A149-L194 HydrophobicContact CB-CD1 4.48Å; L150-L194 HydrophobicContact CB-CD1 3.95Å; L150-L194 HydrophobicContact CD1-CD1 4.16Å; L150-L194 HydrophobicContact CD1-CD2 3.92Å; Y153-L194 HydrophobicContact CD1-CD2 4.44Å; Y153-L194 HydrophobicContact CG-CD2 4.27Å; E190-L194 PolarHBondContact O-N 3Å; R191-L194 PolarHBondContact O-N 3.5Å; L194-T198 WeakPolarHBondContact O-CB 3.47Å; L194-T198 PolarHBondContact O-N 2.89Å; L194-T198 PolarHBondContact O-OG1 3.23Å
195Q94.2Very high92Very high7 Ų751.4 Ų51.43%0.03324%0.238CC..Hα-helixtrans-56.6-51172.7-74.5163.3-6.700111.4T14 D17 F26 R191 T198 C199T14-Q195 HydrophobicContact CG2-CB 4.11Å; T14-Q195 HydrophobicContact CG2-CG 3.97Å; D17-Q195 PolarHBondContact OD2-NE2 3.24Å; F26-Q195 HydrophobicContact CE1-CG 3.78Å; F26-Q195 HydrophobicContact CE2-CG 3.8Å; F26-Q195 HydrophobicContact CZ-CG 3.33Å; R191-Q195 WeakPolarHBondContact O-CG 3.35Å; R191-Q195 PolarHBondContact O-N 2.83Å; Q195-T198 WeakPolarHBondContact O-CB 3.45Å; Q195-T198 PolarHBondContact O-N 3.25Å; Q195-C199 PolarHBondContact O-N 2.85Å; Q195-C199 PolarHBondContact O-SG 3.12Å
196L94.7Very high92.1Very high85 Ų8551.5 Ų51.545%0.44524%0.244SC..Hα-helixtrans-59.4-49.8-179.8-18063.5000112.8R192 R193 T198 C199 E200R192-L196 WeakPolarHBondContact O-CB 3.45Å; R192-L196 PolarHBondContact O-N 3.36Å; R193-L196 PolarHBondContact O-N 2.97Å; L196-T198 PolarHBondContact O-N 2.9Å; L196-C199 WeakPolarHBondContact O-CB 3.2Å; L196-C199 PolarHBondContact O-N 2.89Å; L196-E200 HydrophobicContact CD1-CG 4.45Å; L196-E200 WeakPolarHBondContact O-CB 3.06Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.3Å
197E95Very high92.2Very high28 Ų2853.5 Ų53.513%0.13125%0.251CS..Hα-helixtrans-66.1-26.6179-60.9-70.2176.900112.2P145 A149 R193 Y201P145-E197 WeakPolarHBondContact CB-OE2 3.13Å; A149-E197 HydrophobicContact CB-CB 4.22Å; A149-E197 HydrophobicContact CB-CG 3.76Å; R193-E197 HydrophobicContact CG-CG 4.37Å; R193-E197 IonicContact CZ-OE1 3.1Å; R193-E197 IonicContact NE-OE1 2.72Å; R193-E197 PolarHBondContact NE-OE1 3.47Å; R193-E197 IonicContact NH2-OE1 2.62Å; R193-E197 PolarHBondContact NH2-OE1 2.89Å; R193-E197 WeakPolarHBondContact O-CG 3.22Å; R193-E197 PolarHBondContact O-N 2.8Å; E197-Y201 WeakPolarHBondContact O-CB 3.41Å; E197-Y201 PolarHBondContact O-N 3.46Å
198T93.8Very high92Very high1 Ų154 Ų541%0.00625%0.254CS..Hα-helixtrans-72.6-43.8173.2-52.60000111.1F10 V33 V37 F146 L194 Q195 L196 Y201 L202F10-T198 HydrophobicContact CD2-CG2 4.23Å; F10-T198 HydrophobicContact CE1-CG2 4Å; F10-T198 HydrophobicContact CE2-CG2 3.58Å; F10-T198 HydrophobicContact CZ-CG2 3.46Å; F10-T198 VanDerWaalsContact CZ-CG2 3.46Å; V33-T198 HydrophobicContact CG1-CG2 3.74Å; V37-T198 HydrophobicContact CG2-CG2 4.19Å; F146-T198 WeakPolarHBondContact CD2-OG1 3.41Å; F146-T198 WeakPolarHBondContact CE2-OG1 3.43Å; L194-T198 WeakPolarHBondContact O-CB 3.47Å; L194-T198 PolarHBondContact O-N 2.89Å; L194-T198 PolarHBondContact O-OG1 3.23Å; Q195-T198 WeakPolarHBondContact O-CB 3.45Å; Q195-T198 PolarHBondContact O-N 3.25Å; L196-T198 PolarHBondContact O-N 2.9Å; T198-Y201 PolarHBondContact O-N 2.91Å; T198-L202 HydrophobicContact CG2-CD1 4.14Å; T198-L202 HydrophobicContact CG2-CG 4.43Å; T198-L202 WeakPolarHBondContact O-CG 3.47Å; T198-L202 PolarHBondContact O-N 3.01Å
199C94.5Very high91.6Very high44 Ų4456 Ų5630%0.29726%0.262SS..Hα-helixtrans-58.1-49.7171.5-63.90000111.1Q195 L196 Y201 L202 I203Q195-C199 PolarHBondContact O-N 2.85Å; Q195-C199 PolarHBondContact O-SG 3.12Å; L196-C199 WeakPolarHBondContact O-CB 3.2Å; L196-C199 PolarHBondContact O-N 2.89Å; C199-Y201 PolarHBondContact O-N 3.36Å; C199-L202 PolarHBondContact O-N 3.43Å; C199-I203 WeakPolarHBondContact O-CB 3.27Å; C199-I203 WeakPolarHBondContact O-CD1 3.47Å; C199-I203 VanDerWaalsContact O-CG1 3.24Å; C199-I203 WeakPolarHBondContact O-CG1 3.24Å; C199-I203 PolarHBondContact O-N 3.32Å
200E93.6Very high91.1Very high84 Ų8451.3 Ų51.339%0.39325%0.253SS..Hα-helixtrans-58.4-32.6177.3-78.5-72.2148.700113.1L196 K204L196-E200 HydrophobicContact CD1-CG 4.45Å; L196-E200 WeakPolarHBondContact O-CB 3.06Å; L196-E200 WeakPolarHBondContact O-CG 3.39Å; L196-E200 PolarHBondContact O-N 3.3Å; E200-K204 VanDerWaalsContact O-CG 3.31Å; E200-K204 WeakPolarHBondContact O-CG 3.13Å; E200-K204 PolarHBondContact O-NZ 3.31Å; E200-K204 IonicContact OE2-NZ 2.79Å; E200-K204 PolarHBondContact OE2-NZ 2.81Å
201Y93.5Very high90.5Very high8 Ų853.1 Ų53.13%0.03126%0.26CS..Hα-helixtrans-73.5-53.8172.7-177.6-96.4000111.1V37 L40 D41 L142 K143 E197 T198 C199 I203 K204 V205V37-Y201 HydrophobicContact CB-CD1 4.47Å; V37-Y201 HydrophobicContact CB-CE1 4.3Å; V37-Y201 HydrophobicContact CG1-CD1 3.95Å; V37-Y201 HydrophobicContact CG1-CE1 3.77Å; V37-Y201 HydrophobicContact CG1-CG 4.41Å; V37-Y201 HydrophobicContact CG2-CD1 4.04Å; V37-Y201 HydrophobicContact CG2-CE1 4.3Å; V37-Y201 PolarHBondContact O-OH 3.39Å; L40-Y201 HydrophobicContact CB-CE1 4.05Å; L40-Y201 HydrophobicContact CD1-CE1 4.26Å; D41-Y201 WeakPolarHBondContact CA-OH 3.36Å; D41-Y201 PolarHBondContact N-OH 3.37Å; D41-Y201 PolarHBondContact OD1-OH 3.49Å; L142-Y201 HydrophobicContact CB-CE2 4.22Å; K143-Y201 HydrophobicContact CB-CE2 3.93Å; E197-Y201 WeakPolarHBondContact O-CB 3.41Å; E197-Y201 PolarHBondContact O-N 3.46Å; T198-Y201 PolarHBondContact O-N 2.91Å; C199-Y201 PolarHBondContact O-N 3.36Å; Y201-I203 VanDerWaalsContact C-N 3.32Å; Y201-I203 PolarHBondContact O-N 2.75Å; Y201-K204 PolarHBondContact O-N 3.11Å; Y201-K204 VanDerWaalsContact O-N 3.08Å; Y201-V205 HydrophobicContact CD1-CG2 3.83Å; Y201-V205 HydrophobicContact CD2-CG2 4.47Å; Y201-V205 HydrophobicContact CE1-CG2 3.45Å; Y201-V205 VanDerWaalsContact CE1-CG2 3.45Å; Y201-V205 HydrophobicContact CE2-CG2 4.15Å; Y201-V205 HydrophobicContact CG-CG2 4.33Å; Y201-V205 WeakPolarHBondContact O-CG2 3.47Å; Y201-V205 PolarHBondContact O-N 3.19Å
202L92.9Very high89.7Confident21 Ų2157 Ų5711%0.1127%0.274CS..Hα-helixtrans-59.6-38.8-177.1-70.3175.3000112.9F10 L40 T198 C199 V205 N206F10-L202 HydrophobicContact CD1-CD1 3.47Å; F10-L202 VanDerWaalsContact CD1-CD1 3.47Å; F10-L202 HydrophobicContact CE1-CD1 3.82Å; F10-L202 HydrophobicContact CG-CD1 4.09Å; L40-L202 HydrophobicContact CD1-CD2 3.54Å; T198-L202 HydrophobicContact CG2-CD1 4.14Å; T198-L202 HydrophobicContact CG2-CG 4.43Å; T198-L202 WeakPolarHBondContact O-CG 3.47Å; T198-L202 PolarHBondContact O-N 3.01Å; C199-L202 PolarHBondContact O-N 3.43Å; L202-V205 PolarHBondContact O-N 2.94Å; L202-N206 WeakPolarHBondContact O-CB 3.2Å; L202-N206 PolarHBondContact O-N 3.35Å
203I92.1Very high88.9Confident90 Ų9056.2 Ų56.246%0.46229%0.286SS..Hα-helixtrans-58-51.6173.4-69.5164.2000110.2C199 Y201 V205 N206 E207C199-I203 WeakPolarHBondContact O-CB 3.27Å; C199-I203 WeakPolarHBondContact O-CD1 3.47Å; C199-I203 VanDerWaalsContact O-CG1 3.24Å; C199-I203 WeakPolarHBondContact O-CG1 3.24Å; C199-I203 PolarHBondContact O-N 3.32Å; Y201-I203 VanDerWaalsContact C-N 3.32Å; Y201-I203 PolarHBondContact O-N 2.75Å; I203-V205 PolarHBondContact O-N 2.94Å; I203-N206 WeakPolarHBondContact O-CB 3.37Å; I203-N206 PolarHBondContact O-N 2.89Å; I203-N206 VanDerWaalsContact O-N 3.12Å; I203-E207 WeakPolarHBondContact O-CG 3.5Å; I203-E207 PolarHBondContact O-N 3.45Å
204K89.7Confident88.4Confident73 Ų7352.5 Ų52.532%0.31728%0.284SS..Hα-helixtrans-64.9-37.8-179.9-67.9179.4-166.378.50112.5L142 E200 Y201 N206 E207 L208L142-K204 HydrophobicContact CD2-CD 4.36Å; E200-K204 VanDerWaalsContact O-CG 3.31Å; E200-K204 WeakPolarHBondContact O-CG 3.13Å; E200-K204 PolarHBondContact O-NZ 3.31Å; E200-K204 IonicContact OE2-NZ 2.79Å; E200-K204 PolarHBondContact OE2-NZ 2.81Å; Y201-K204 PolarHBondContact O-N 3.11Å; Y201-K204 VanDerWaalsContact O-N 3.08Å; K204-N206 VanDerWaalsContact C-N 3.3Å; K204-N206 PolarHBondContact O-N 3.22Å; K204-E207 PolarHBondContact O-N 3.28Å; K204-L208 WeakPolarHBondContact O-CB 3.47Å; K204-L208 WeakPolarHBondContact O-CD1 3.33Å; K204-L208 WeakPolarHBondContact O-CG 3.15Å; K204-L208 PolarHBondContact O-N 3.48Å
205V89.6Confident88Confident5 Ų555.7 Ų55.73%0.0330%0.301CS..Hα-helixtrans-64.3-37173.9179.20000111.1L40 L44 Y201 L202 I203 K209L40-V205 HydrophobicContact CB-CG1 4.48Å; L40-V205 HydrophobicContact CD1-CG1 4.44Å; L40-V205 HydrophobicContact CD2-CG1 4.23Å; L44-V205 HydrophobicContact CD1-CG1 4.39Å; L44-V205 HydrophobicContact CD1-CG2 3.94Å; Y201-V205 HydrophobicContact CD1-CG2 3.83Å; Y201-V205 HydrophobicContact CD2-CG2 4.47Å; Y201-V205 HydrophobicContact CE1-CG2 3.45Å; Y201-V205 VanDerWaalsContact CE1-CG2 3.45Å; Y201-V205 HydrophobicContact CE2-CG2 4.15Å; Y201-V205 HydrophobicContact CG-CG2 4.33Å; Y201-V205 WeakPolarHBondContact O-CG2 3.47Å; Y201-V205 PolarHBondContact O-N 3.19Å; L202-V205 PolarHBondContact O-N 2.94Å; I203-V205 PolarHBondContact O-N 2.94Å; V205-K209 HydrophobicContact CG1-CD 4.17Å; V205-K209 WeakPolarHBondContact O-CB 3.22Å; V205-K209 VanDerWaalsContact O-CG 3.29Å; V205-K209 WeakPolarHBondContact O-CG 3.46Å; V205-K209 PolarHBondContact O-N 2.87Å
206N88.1Confident87.5Confident116 Ų11657.9 Ų57.962%0.6231%0.313SS*.Hα-helixtrans-69.5-45176.8-162.949.7000112.1L202 I203 K204 L208 K209 A210L202-N206 WeakPolarHBondContact O-CB 3.2Å; L202-N206 PolarHBondContact O-N 3.35Å; I203-N206 WeakPolarHBondContact O-CB 3.37Å; I203-N206 PolarHBondContact O-N 2.89Å; I203-N206 VanDerWaalsContact O-N 3.12Å; K204-N206 VanDerWaalsContact C-N 3.3Å; K204-N206 PolarHBondContact O-N 3.22Å; N206-L208 PolarHBondContact O-N 3.34Å; N206-K209 PolarHBondContact O-N 2.83Å; N206-A210 WeakPolarHBondContact O-CB 3.3Å; N206-A210 PolarHBondContact O-N 3.02Å
207E86.8Confident87.2Confident104 Ų10458.8 Ų58.849%0.48632%0.318SS..Hα-helixtrans-56.4-46.8172.6-72.1174.5-174.600111.9I203 K204 K209 A210 K211I203-E207 WeakPolarHBondContact O-CG 3.5Å; I203-E207 PolarHBondContact O-N 3.45Å; K204-E207 PolarHBondContact O-N 3.28Å; E207-K209 PolarHBondContact O-N 3.35Å; E207-A210 PolarHBondContact O-N 3.29Å; E207-K211 WeakPolarHBondContact O-CB 3.49Å; E207-K211 WeakPolarHBondContact O-CG 3.09Å; E207-K211 PolarHBondContact O-N 2.89Å
208L86.2Confident87Confident12 Ų1262 Ų626%0.06333%0.333CS..Hα-helixtrans-62.6-40.7177.2-74.7169000112.4L44 F133 D137 I138 L142 K204 N206 R212L44-L208 HydrophobicContact CD1-CD1 4.31Å; L44-L208 HydrophobicContact CD2-CD1 4.44Å; F133-L208 HydrophobicContact CE2-CD2 4.23Å; F133-L208 HydrophobicContact CZ-CD2 4.22Å; D137-L208 HydrophobicContact CB-CD2 3.77Å; I138-L208 HydrophobicContact CG1-CD2 4.25Å; L142-L208 HydrophobicContact CD1-CD1 3.58Å; K204-L208 WeakPolarHBondContact O-CB 3.47Å; K204-L208 WeakPolarHBondContact O-CD1 3.33Å; K204-L208 WeakPolarHBondContact O-CG 3.15Å; K204-L208 PolarHBondContact O-N 3.48Å; N206-L208 PolarHBondContact O-N 3.34Å; L208-R212 WeakPolarHBondContact O-CB 3.37Å; L208-R212 PolarHBondContact O-N 3.45Å
209K81.9Confident87Confident100 Ų10064.4 Ų64.444%0.43534%0.344SS..Hα-helixtrans-67-41.8177.6-78.7178.3178.3-175.20112V205 N206 E207V205-K209 HydrophobicContact CG1-CD 4.17Å; V205-K209 WeakPolarHBondContact O-CB 3.22Å; V205-K209 VanDerWaalsContact O-CG 3.29Å; V205-K209 WeakPolarHBondContact O-CG 3.46Å; V205-K209 PolarHBondContact O-N 2.87Å; N206-K209 PolarHBondContact O-N 2.83Å; E207-K209 PolarHBondContact O-N 3.35Å
210A79.8Confident86.8Confident63 Ų6365.8 Ų65.852%0.52135%0.348SS..Hα-helixtrans-63.3-56176.800000111.6N206 E207 R212 A214N206-A210 WeakPolarHBondContact O-CB 3.3Å; N206-A210 PolarHBondContact O-N 3.02Å; E207-A210 PolarHBondContact O-N 3.29Å; A210-R212 PolarHBondContact O-N 3.13Å; A210-A214 WeakPolarHBondContact O-CB 3.18Å; A210-A214 PolarHBondContact O-N 3.28Å
211K80.5Confident86.9Confident76 Ų7664.7 Ų64.733%0.3334%0.344SS..Hα-helixtrans-54.5-54178.1-77.8176.5167.3-175.60112.8F133 D137 E207 G213 A214 D215F133-K211 HydrophobicContact CE2-CB 4.09Å; F133-K211 HydrophobicContact CE2-CD 4.42Å; D137-K211 IonicContact OD1-NZ 2.72Å; D137-K211 IonicContact OD2-NZ 3.14Å; D137-K211 PolarHBondContact OD2-NZ 3.44Å; E207-K211 WeakPolarHBondContact O-CB 3.49Å; E207-K211 WeakPolarHBondContact O-CG 3.09Å; E207-K211 PolarHBondContact O-N 2.89Å; K211-G213 PolarHBondContact O-N 2.82Å; K211-G213 VanDerWaalsContact O-N 3.1Å; K211-A214 PolarHBondContact O-N 3.37Å; K211-D215 VanDerWaalsContact CB-OD2 3.27Å; K211-D215 WeakPolarHBondContact CB-OD2 3.47Å; K211-D215 VanDerWaalsContact O-CB 3.24Å; K211-D215 WeakPolarHBondContact O-CB 3.37Å; K211-D215 PolarHBondContact O-N 2.9Å
212R75.9Confident87Confident80 Ų8066.9 Ų66.930%0.30236%0.356SS..Hα-helixtrans-53.9-39.1-172.1-178.9-178.467.7126.1-21.7113.6D47 L51 F133 L208 A210 L216D47-R212 IonicContact OD1-CZ 2.79Å; D47-R212 IonicContact OD1-NH1 2.69Å; D47-R212 PolarHBondContact OD1-NH1 2.87Å; D47-R212 IonicContact OD1-NH2 3.17Å; D47-R212 PolarHBondContact OD1-NH2 3.46Å; D47-R212 IonicContact OD2-CZ 3.75Å; D47-R212 IonicContact OD2-NE 2.62Å; D47-R212 IonicContact OD2-NH1 2.69Å; D47-R212 IonicContact OD2-NH2 2.77Å; D47-R212 PolarHBondContact OD2-NH2 2.91Å; L51-R212 HydrophobicContact CD1-CG 4.47Å; F133-R212 HydrophobicContact CE1-CB 4Å; F133-R212 HydrophobicContact CE1-CG 4.08Å; F133-R212 HydrophobicContact CZ-CB 3.83Å; F133-R212 HydrophobicContact CZ-CG 4.42Å; L208-R212 WeakPolarHBondContact O-CB 3.37Å; L208-R212 PolarHBondContact O-N 3.45Å; A210-R212 PolarHBondContact O-N 3.13Å; R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.47Å
213G75.5Confident87.1Confident46 Ų4667.2 Ų67.247%0.47436%0.357SS..Hα-helixtrans-79.2-52.7178.900000112.1K211 L217K211-G213 PolarHBondContact O-N 2.82Å; K211-G213 VanDerWaalsContact O-N 3.1Å; G213-L217 VanDerWaalsContact O-CB 3.28Å; G213-L217 WeakPolarHBondContact O-CB 3.34Å; G213-L217 PolarHBondContact O-N 2.98Å; G213-L217 VanDerWaalsContact O-N 3.14Å
214A84.1Confident87.2Confident58 Ų5868.5 Ų68.548%0.47936%0.36SS..Hα-helixtrans-68.8-49.7-173.900000112.7A210 K211 L216 L217 Q218A210-A214 WeakPolarHBondContact O-CB 3.18Å; A210-A214 PolarHBondContact O-N 3.28Å; K211-A214 PolarHBondContact O-N 3.37Å; A214-L216 PolarHBondContact O-N 3.17Å; A214-L217 PolarHBondContact O-N 3.32Å; A214-Q218 WeakPolarHBondContact O-CB 3.38Å; A214-Q218 PolarHBondContact O-N 3.08Å
215D85.4Confident87.5Confident68 Ų6872.4 Ų72.436%0.36437%0.373SS..Hα-helixtrans-65.2-41.3-175.1-53.9-9.7000110.8K211 Q218 H219K211-D215 VanDerWaalsContact CB-OD2 3.27Å; K211-D215 WeakPolarHBondContact CB-OD2 3.47Å; K211-D215 VanDerWaalsContact O-CB 3.24Å; K211-D215 WeakPolarHBondContact O-CB 3.37Å; K211-D215 PolarHBondContact O-N 2.9Å; D215-Q218 PolarHBondContact O-N 3.36Å; D215-H219 PolarHBondContact O-CD2 3.12Å; D215-H219 VanDerWaalsContact O-CG 3.23Å; D215-H219 PolarHBondContact O-N 3.13Å
216L83.6Confident87.8Confident54 Ų5473.4 Ų73.428%0.28338%0.38SS..Hα-helixtrans-67.8-37.9176.7-179.459.6000112L51 V126 M130 R212 A214 L220L51-L216 HydrophobicContact CD2-CD2 4.34Å; V126-L216 HydrophobicContact CG1-CD1 3.64Å; M130-L216 HydrophobicContact CE-CD1 3.98Å; R212-L216 VanDerWaalsContact O-CB 3.3Å; R212-L216 WeakPolarHBondContact O-CB 3.47Å; A214-L216 PolarHBondContact O-N 3.17Å; L216-L220 HydrophobicContact CG-CD1 4.39Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.01Å; L216-L220 VanDerWaalsContact O-N 3.16Å
217L88.8Confident88Confident104 Ų10471.4 Ų71.455%0.54537%0.366SS..Hα-helixtrans-67-42.4174.9179.759.8000111G213 A214 H219 L220 I221G213-L217 VanDerWaalsContact O-CB 3.28Å; G213-L217 WeakPolarHBondContact O-CB 3.34Å; G213-L217 PolarHBondContact O-N 2.98Å; G213-L217 VanDerWaalsContact O-N 3.14Å; A214-L217 PolarHBondContact O-N 3.32Å; L217-H219 PolarHBondContact O-N 2.63Å; L217-L220 PolarHBondContact O-N 3.22Å; L217-L220 VanDerWaalsContact O-N 3.16Å; L217-I221 HydrophobicContact CD1-CD1 4.3Å; L217-I221 HydrophobicContact CG-CD1 4Å; L217-I221 WeakPolarHBondContact O-CG1 3.26Å; L217-I221 PolarHBondContact O-N 2.92Å
218Q91.7Very high88.3Confident96 Ų9668.9 Ų68.945%0.44936%0.358SS..Hα-helixtrans-58.6-49.4175.7-173.260.45600110.8A214 D215 L220 I221 D222A214-Q218 WeakPolarHBondContact O-CB 3.38Å; A214-Q218 PolarHBondContact O-N 3.08Å; D215-Q218 PolarHBondContact O-N 3.36Å; Q218-L220 PolarHBondContact O-N 2.8Å; Q218-I221 CarbonylContact O-C 3.03Å; Q218-I221 WeakPolarHBondContact O-CA 3.24Å; Q218-I221 WeakPolarHBondContact O-CB 3.16Å; Q218-I221 PolarHBondContact O-N 2.96Å; Q218-D222 PolarHBondContact NE2-OD1 3.33Å; Q218-D222 PolarHBondContact O-N 3.07Å
219H92.3Very high88.7Confident51 Ų5173.5 Ų73.524%0.23638%0.379CS..Hα-helixtrans-62.8-27.4177.6-64.3-33000113.8I125 V126 P129 D215 L217 D222 F223I125-H219 HydrophobicContact CG2-CB 3.85Å; I125-H219 WeakPolarHBondContact CG2-O 3.22Å; V126-H219 HydrophobicContact CG1-CB 4.42Å; V126-H219 HydrophobicContact CG2-CB 3.97Å; V126-H219 WeakPolarHBondContact CG2-O 3.24Å; P129-H219 VanDerWaalsContact CB-NE2 3.28Å; P129-H219 WeakPolarHBondContact CB-NE2 3.39Å; D215-H219 PolarHBondContact O-CD2 3.12Å; D215-H219 VanDerWaalsContact O-CG 3.23Å; D215-H219 PolarHBondContact O-N 3.13Å; L217-H219 PolarHBondContact O-N 2.63Å; H219-D222 IonicContact ND1-OD2 2.73Å; H219-D222 PolarHBondContact ND1-OD2 3.21Å; H219-F223 PolarHBondContact O-N 3.05Å
220L91.7Very high89.3Confident72 Ų7271 Ų7138%0.37737%0.367SS..Hα-helixtrans-75.4-33.7171.8-71167.1000112.5L122 V126 L216 L217 Q218 F224L122-L220 HydrophobicContact CD1-CD2 4.25Å; V126-L220 HydrophobicContact CG2-CD2 4.3Å; L216-L220 HydrophobicContact CG-CD1 4.39Å; L216-L220 VanDerWaalsContact O-CG 3.32Å; L216-L220 WeakPolarHBondContact O-CG 3.43Å; L216-L220 PolarHBondContact O-N 3.01Å; L216-L220 VanDerWaalsContact O-N 3.16Å; L217-L220 PolarHBondContact O-N 3.22Å; L217-L220 VanDerWaalsContact O-N 3.16Å; Q218-L220 PolarHBondContact O-N 2.8Å; L220-F224 PolarHBondContact O-N 3.45Å
221I94.7Very high90Very high62 Ų6272.2 Ų72.232%0.31836%0.364SS..Hα-helixtrans-68-44.7172.3-69164.5000110.6L217 Q218 F223 F224 Y225L217-I221 HydrophobicContact CD1-CD1 4.3Å; L217-I221 HydrophobicContact CG-CD1 4Å; L217-I221 WeakPolarHBondContact O-CG1 3.26Å; L217-I221 PolarHBondContact O-N 2.92Å; Q218-I221 CarbonylContact O-C 3.03Å; Q218-I221 WeakPolarHBondContact O-CA 3.24Å; Q218-I221 WeakPolarHBondContact O-CB 3.16Å; Q218-I221 PolarHBondContact O-N 2.96Å; I221-F223 VanDerWaalsContact C-N 3.29Å; I221-F223 PolarHBondContact O-N 3.17Å; I221-F224 WeakPolarHBondContact O-CB 3.4Å; I221-F224 PolarHBondContact O-N 2.77Å; I221-Y225 HydrophobicContact CG2-CD2 4.09Å; I221-Y225 HydrophobicContact CG2-CE2 3.55Å; I221-Y225 VanDerWaalsContact O-CD2 3.24Å; I221-Y225 WeakPolarHBondContact O-CD2 3.27Å; I221-Y225 PolarHBondContact O-N 3.36Å
222D95Very high90.7Very high53 Ų5376.5 Ų76.528%0.28338%0.379SS..Hα-helixtrans-57.8-43176.6-57.3-25.5000110.4I125 Q218 H219 V226I125-D222 HydrophobicContact CD1-CB 4Å; I125-D222 HydrophobicContact CG2-CB 3.8Å; Q218-D222 PolarHBondContact NE2-OD1 3.33Å; Q218-D222 PolarHBondContact O-N 3.07Å; H219-D222 IonicContact ND1-OD2 2.73Å; H219-D222 PolarHBondContact ND1-OD2 3.21Å; D222-V226 WeakPolarHBondContact O-CG2 3.4Å; D222-V226 PolarHBondContact O-N 3.37Å
223F95.4Very high91.5Very high28 Ų2877.4 Ų77.412%0.12339%0.386CS..Hα-helixtrans-60.4-49.6170162.3-129.9000112.6L122 H219 I221 Y225 V226 Q227 S1321 P1322L122-F223 HydrophobicContact CD1-CD1 4.42Å; H219-F223 PolarHBondContact O-N 3.05Å; I221-F223 VanDerWaalsContact C-N 3.29Å; I221-F223 PolarHBondContact O-N 3.17Å; F223-Y225 PolarHBondContact O-N 2.93Å; F223-Y225 VanDerWaalsContact O-N 3.16Å; F223-V226 CarbonylContact O-C 3.56Å; F223-V226 WeakPolarHBondContact O-CA 3.35Å; F223-V226 WeakPolarHBondContact O-CB 3.42Å; F223-V226 PolarHBondContact O-N 2.77Å; F223-Q227 HydrophobicContact CD2-CB 3.98Å; F223-Q227 HydrophobicContact CE2-CB 3.42Å; F223-Q227 VanDerWaalsContact CE2-CB 3.42Å; F223-Q227 HydrophobicContact CE2-CG 3.72Å; F223-Q227 HydrophobicContact CZ-CB 3.79Å; F223-Q227 VanDerWaalsContact CZ-CD 3.41Å; F223-Q227 HydrophobicContact CZ-CG 3.77Å; F223-Q227 PolarHBondContact O-N 3.46Å; F223-S1321 WeakPolarHBondContact CD2-OG 3.39Å; F223-S1321 WeakPolarHBondContact CE2-OG 3.49Å; F223-P1322 WeakPolarHBondContact CD1-O 3.5Å; F223-P1322 WeakPolarHBondContact CE1-O 3.28Å; F223-P1322 WeakPolarHBondContact CZ-O 3.44Å
224F94.9Very high92.4Very high118 Ų11876 Ų7652%0.51837%0.369SS..Hα-helixtrans-52.8-41.7-173.8167.3-97.5000112.3L220 I221 Q227 T228L220-F224 PolarHBondContact O-N 3.45Å; I221-F224 WeakPolarHBondContact O-CB 3.4Å; I221-F224 PolarHBondContact O-N 2.77Å; F224-Q227 PolarHBondContact O-N 2.87Å; F224-T228 WeakPolarHBondContact O-CB 3.27Å; F224-T228 PolarHBondContact O-N 3.42Å; F224-T228 PolarHBondContact O-OG1 3.32Å
225Y96.1Very high92.8Very high155 Ų15579.1 Ų79.161%0.60838%0.377SS*.Hα-helixtrans-64-44.5173.1-67.8-62.5000112.9I221 F223 Q227 T228 H229I221-Y225 HydrophobicContact CG2-CD2 4.09Å; I221-Y225 HydrophobicContact CG2-CE2 3.55Å; I221-Y225 VanDerWaalsContact O-CD2 3.24Å; I221-Y225 WeakPolarHBondContact O-CD2 3.27Å; I221-Y225 PolarHBondContact O-N 3.36Å; F223-Y225 PolarHBondContact O-N 2.93Å; F223-Y225 VanDerWaalsContact O-N 3.16Å; Y225-Q227 VanDerWaalsContact C-N 3.34Å; Y225-Q227 PolarHBondContact O-N 3.16Å; Y225-T228 PolarHBondContact O-N 2.94Å; Y225-H229 PolarHBondContact O-N 3.27Å
226V94.8Very high93.1Very high26 Ų2677.7 Ų77.716%0.15838%0.379CS..Hα-helixtrans-62.3-37.3175.5170.30000112.5N121 I125 D222 F223 H229 Y230N121-V226 WeakPolarHBondContact ND2-CG1 3.25Å; I125-V226 HydrophobicContact CD1-CG2 4.15Å; D222-V226 WeakPolarHBondContact O-CG2 3.4Å; D222-V226 PolarHBondContact O-N 3.37Å; F223-V226 CarbonylContact O-C 3.56Å; F223-V226 WeakPolarHBondContact O-CA 3.35Å; F223-V226 WeakPolarHBondContact O-CB 3.42Å; F223-V226 PolarHBondContact O-N 2.77Å; V226-H229 PolarHBondContact O-N 3.26Å; V226-Y230 PolarHBondContact O-N 3.47Å
227Q93.3Very high93.5Very high73 Ų7377.1 Ų77.134%0.34138%0.377SS..Hα-helixtrans-65.2-45.8175.2-159.1-177.4-11.900110.9F223 F224 Y225 H229 Y230 L231F223-Q227 HydrophobicContact CD2-CB 3.98Å; F223-Q227 HydrophobicContact CE2-CB 3.42Å; F223-Q227 VanDerWaalsContact CE2-CB 3.42Å; F223-Q227 HydrophobicContact CE2-CG 3.72Å; F223-Q227 HydrophobicContact CZ-CB 3.79Å; F223-Q227 VanDerWaalsContact CZ-CD 3.41Å; F223-Q227 HydrophobicContact CZ-CG 3.77Å; F223-Q227 PolarHBondContact O-N 3.46Å; F224-Q227 PolarHBondContact O-N 2.87Å; Y225-Q227 VanDerWaalsContact C-N 3.34Å; Y225-Q227 PolarHBondContact O-N 3.16Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.41Å; Q227-Y230 PolarHBondContact O-N 3.1Å; Q227-L231 HydrophobicContact CG-CD1 4.47Å; Q227-L231 WeakPolarHBondContact O-CG 3.35Å; Q227-L231 PolarHBondContact O-N 3.27Å
228T92.5Very high93.7Very high51 Ų5174.9 Ų74.931%0.31336%0.364SS..Hα-helixtrans-61.4-40.5178.8-56.90000111F224 Y225 R232F224-T228 WeakPolarHBondContact O-CB 3.27Å; F224-T228 PolarHBondContact O-N 3.42Å; F224-T228 PolarHBondContact O-OG1 3.32Å; Y225-T228 PolarHBondContact O-N 2.94Å; T228-R232 WeakPolarHBondContact O-CB 3.43Å; T228-R232 PolarHBondContact O-N 3.3Å
229H94.3Very high93.6Very high109 Ų10974.7 Ų74.751%0.50537%0.367SS..Hα-helixtrans-62.1-49.4173-172.1-56.5000112Y225 V226 Q227 L231 R232 E233Y225-H229 PolarHBondContact O-N 3.27Å; V226-H229 PolarHBondContact O-N 3.26Å; Q227-H229 VanDerWaalsContact C-N 3.3Å; Q227-H229 PolarHBondContact O-N 3.41Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.4Å; H229-R232 PolarHBondContact O-N 3.48Å; H229-E233 WeakPolarHBondContact CE1-CG 3.36Å; H229-E233 WeakPolarHBondContact ND1-CG 3.4Å; H229-E233 WeakPolarHBondContact O-CG 3.47Å; H229-E233 PolarHBondContact O-N 3.21Å
230Y96Very high93.4Very high49 Ų4979.2 Ų79.219%0.19239%0.387CS..Hα-helixtrans-57.1-45.2177.6158.1-89.4000112.1M114 T115 L118 V226 Q227 R232 E233 C234M114-Y230 HydrophobicContact CB-CD2 4.22Å; M114-Y230 HydrophobicContact CB-CE2 3.97Å; M114-Y230 WeakPolarHBondContact O-CE2 3.36Å; T115-Y230 PolarHBondContact OG1-OH 2.93Å; L118-Y230 HydrophobicContact CB-CD2 3.86Å; L118-Y230 HydrophobicContact CB-CE2 3.93Å; L118-Y230 HydrophobicContact CB-CG 4.22Å; L118-Y230 HydrophobicContact CD1-CD1 3.79Å; L118-Y230 HydrophobicContact CD1-CD2 4Å; L118-Y230 HydrophobicContact CD1-CG 3.48Å; L118-Y230 VanDerWaalsContact CD1-CG 3.48Å; L118-Y230 HydrophobicContact CD2-CD1 3.64Å; L118-Y230 HydrophobicContact CD2-CD2 4.33Å; L118-Y230 HydrophobicContact CD2-CE1 3.57Å; L118-Y230 HydrophobicContact CD2-CE2 4.24Å; L118-Y230 HydrophobicContact CD2-CG 4.04Å; L118-Y230 HydrophobicContact CG-CD1 4.19Å; L118-Y230 HydrophobicContact CG-CD2 4.25Å; L118-Y230 HydrophobicContact CG-CE1 4.46Å; L118-Y230 HydrophobicContact CG-CE2 4.48Å; L118-Y230 HydrophobicContact CG-CG 4.08Å; V226-Y230 PolarHBondContact O-N 3.47Å; Q227-Y230 PolarHBondContact O-N 3.1Å; Y230-R232 PolarHBondContact O-N 2.96Å; Y230-E233 PolarHBondContact O-N 3.4Å; Y230-C234 WeakPolarHBondContact CE2-SG 3.47Å; Y230-C234 WeakPolarHBondContact O-CB 3.18Å; Y230-C234 PolarHBondContact O-N 3.26Å; Y230-C234 PolarHBondContact O-SG 2.63Å; Y230-C234 VanDerWaalsContact O-SG 3.34Å
231L94.5Very high93.3Very high87 Ų8776.5 Ų76.546%0.45537%0.373SS..Hα-helixtrans-63.5-42.9179.8-69.8172.2000111.4Q227 H229 C234 L235Q227-L231 HydrophobicContact CG-CD1 4.47Å; Q227-L231 WeakPolarHBondContact O-CG 3.35Å; Q227-L231 PolarHBondContact O-N 3.27Å; H229-L231 VanDerWaalsContact C-N 3.33Å; H229-L231 PolarHBondContact O-N 3.4Å; L231-C234 PolarHBondContact O-N 2.87Å; L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 2.95Å
232R94.3Very high92.9Very high167 Ų16775.2 Ų75.263%0.6338%0.375SS*.Hα-helixtrans-60.5-44.6176.1-175.8-179.3-65.9152.2-0.3112.4T228 H229 Y230 L235 G236T228-R232 WeakPolarHBondContact O-CB 3.43Å; T228-R232 PolarHBondContact O-N 3.3Å; H229-R232 PolarHBondContact O-N 3.48Å; Y230-R232 PolarHBondContact O-N 2.96Å; R232-L235 PolarHBondContact O-N 3.22Å; R232-G236 PolarHBondContact O-N 3.03Å
233E92.6Very high92.6Very high98 Ų9879.2 Ų79.246%0.45839%0.39SS..Hα-helixtrans-66.7-42.9178.5-66.5-70.99800111.7M114 H229 Y230 L235 G236 V237M114-E233 VanDerWaalsContact CE-C 3.49Å; M114-E233 HydrophobicContact CE-CB 3.39Å; H229-E233 WeakPolarHBondContact CE1-CG 3.36Å; H229-E233 WeakPolarHBondContact ND1-CG 3.4Å; H229-E233 WeakPolarHBondContact O-CG 3.47Å; H229-E233 PolarHBondContact O-N 3.21Å; Y230-E233 PolarHBondContact O-N 3.4Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.17Å; E233-G236 PolarHBondContact O-N 3.09Å; E233-G236 VanDerWaalsContact O-N 3.11Å; E233-V237 PolarHBondContact O-N 3.08Å
234C94.6Very high92.1Very high17 Ų1779.2 Ų79.212%0.11539%0.393CS..Hα-helixtrans-61.1-40.5176.4-73.70000111.9L111 M114 Y230 L231 V237 M238L111-C234 HydrophobicContact CD2-CB 3.91Å; M114-C234 HydrophobicContact CE-CB 4.46Å; Y230-C234 WeakPolarHBondContact CE2-SG 3.47Å; Y230-C234 WeakPolarHBondContact O-CB 3.18Å; Y230-C234 PolarHBondContact O-N 3.26Å; Y230-C234 PolarHBondContact O-SG 2.63Å; Y230-C234 VanDerWaalsContact O-SG 3.34Å; L231-C234 PolarHBondContact O-N 2.87Å; C234-V237 PolarHBondContact O-N 2.98Å; C234-M238 PolarHBondContact O-N 2.96Å
235L92.2Very high91.6Very high123 Ų12377.1 Ų77.164%0.64439%0.386SS*.Hα-helixtrans-62.7-40.1172.5-73.3167.4000111.8L231 R232 E233 M238 D239L231-L235 WeakPolarHBondContact O-CG 3.4Å; L231-L235 PolarHBondContact O-N 2.95Å; R232-L235 PolarHBondContact O-N 3.22Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.17Å; L235-M238 PolarHBondContact O-N 3.42Å; L235-D239 WeakPolarHBondContact O-CB 3.26Å; L235-D239 PolarHBondContact O-N 2.86Å
236G92.4Very high90.9Very high39 Ų3975.7 Ų75.740%0.40239%0.389SS..Hα-helixtrans-62.9-39.7175.500000113.7R232 E233 H240R232-G236 PolarHBondContact O-N 3.03Å; E233-G236 PolarHBondContact O-N 3.09Å; E233-G236 VanDerWaalsContact O-N 3.11Å; G236-H240 WeakPolarHBondContact O-CB 3.12Å; G236-H240 PolarHBondContact O-N 2.78Å
237V92.3Very high90.3Very high41 Ų4178.6 Ų78.625%0.24840%0.403CS..Hα-helixtrans-64.6-43.7173.5172.60000111V107 L111 M114 E233 C234 H240 F241V107-V237 HydrophobicContact CG1-CG1 4.21Å; L111-V237 HydrophobicContact CD2-CG1 4.47Å; M114-V237 HydrophobicContact CE-CG2 4.19Å; M114-V237 HydrophobicContact SD-CG2 4.05Å; E233-V237 PolarHBondContact O-N 3.08Å; C234-V237 PolarHBondContact O-N 2.98Å; V237-H240 PolarHBondContact O-N 3.02Å; V237-F241 PolarHBondContact O-N 3.19Å; V237-F241 VanDerWaalsContact O-N 3.13Å
238M91.7Very high90Very high57 Ų5775.8 Ų75.828%0.28139%0.39SS..Hα-helixtrans-67.6-43.8178.4-76.4-57.2-57.400113.1V107 L111 C234 L235 H240 F241 G242V107-M238 HydrophobicContact CG1-SD 4.11Å; L111-M238 HydrophobicContact CD1-CG 4.41Å; L111-M238 HydrophobicContact CD1-SD 3.91Å; C234-M238 PolarHBondContact O-N 2.96Å; L235-M238 PolarHBondContact O-N 3.42Å; M238-H240 VanDerWaalsContact C-N 3.3Å; M238-H240 PolarHBondContact O-N 3.4Å; M238-F241 PolarHBondContact O-N 3.36Å; M238-F241 VanDerWaalsContact O-N 3.14Å; M238-G242 PolarHBondContact O-N 3.28Å
239D89.6Confident89.6Confident92 Ų9276 Ų7649%0.49239%0.394SS..Hα-helixtrans-61.5-36.7174.5163.959.3000112L235 K243L235-D239 WeakPolarHBondContact O-CB 3.26Å; L235-D239 PolarHBondContact O-N 2.86Å; D239-K243 VanDerWaalsContact O-CD 3.29Å; D239-K243 WeakPolarHBondContact O-CD 3.17Å; D239-K243 WeakPolarHBondContact O-CE 2.99Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 3.06Å; D239-K243 WeakPolarHBondContact OD1-CE 2.95Å; D239-K243 IonicContact OD1-NZ 2.72Å; D239-K243 PolarHBondContact OD1-NZ 3.36Å; D239-K243 IonicContact OD2-NZ 3.21Å; D239-K243 PolarHBondContact OD2-NZ 3.09Å
240H89.6Confident89.1Confident146 Ų14675.9 Ų75.968%0.67640%0.397SS*.Hα-helixtrans-63.5-42.5172.3-173.973.4000112.4G236 V237 M238G236-H240 WeakPolarHBondContact O-CB 3.12Å; G236-H240 PolarHBondContact O-N 2.78Å; V237-H240 PolarHBondContact O-N 3.02Å; M238-H240 VanDerWaalsContact C-N 3.3Å; M238-H240 PolarHBondContact O-N 3.4Å
241F89.7Confident88.5Confident15 Ų1577.8 Ų77.87%0.06640%0.404CS..Hα-helixtrans-72.6-41.8179.1-179.6-126.8000113.1K103 F104 V107 V237 M238 K243 S244 M245K103-F241 HydrophobicContact CB-CE2 4.1Å; F104-F241 AromaticContact CD1-CE1 3.88Å; F104-F241 HydrophobicContact CD1-CE1 3.88Å; F104-F241 AromaticContact CD1-CZ 3.84Å; F104-F241 HydrophobicContact CD1-CZ 3.84Å; F104-F241 HydrophobicContact CD2-CZ 4.33Å; F104-F241 AromaticContact CE1-CE1 3.61Å; F104-F241 HydrophobicContact CE1-CE1 3.61Å; F104-F241 AromaticContact CE1-CZ 3.72Å; F104-F241 HydrophobicContact CE1-CZ 3.72Å; F104-F241 HydrophobicContact CE2-CZ 4.22Å; F104-F241 HydrophobicContact CG-CZ 4.15Å; F104-F241 HydrophobicContact CZ-CE1 4.14Å; F104-F241 AromaticContact CZ-CZ 3.92Å; F104-F241 HydrophobicContact CZ-CZ 3.92Å; V107-F241 HydrophobicContact CG1-CB 4.33Å; V107-F241 HydrophobicContact CG1-CD1 4.18Å; V107-F241 HydrophobicContact CG1-CG 4.31Å; V107-F241 HydrophobicContact CG2-CB 3.98Å; V107-F241 HydrophobicContact CG2-CD1 4.24Å; V107-F241 HydrophobicContact CG2-CD2 3.81Å; V107-F241 HydrophobicContact CG2-CE2 4.36Å; V107-F241 HydrophobicContact CG2-CG 3.75Å; V237-F241 PolarHBondContact O-N 3.19Å; V237-F241 VanDerWaalsContact O-N 3.13Å; M238-F241 PolarHBondContact O-N 3.36Å; M238-F241 VanDerWaalsContact O-N 3.14Å; F241-K243 PolarHBondContact O-N 3.05Å; F241-S244 WeakPolarHBondContact O-CA 3.48Å; F241-S244 WeakPolarHBondContact O-CB 3.42Å; F241-S244 PolarHBondContact O-N 3.08Å; F241-S244 PolarHBondContact O-OG 3.35Å; F241-M245 HydrophobicContact CD1-CE 4.26Å; F241-M245 HydrophobicContact CE1-CE 3.65Å; F241-M245 HydrophobicContact CZ-CE 4.19Å
242G86.1Confident87.9Confident35 Ų3576.5 Ų76.536%0.36140%0.4SS..Hα-helixtrans-57.7-32-178.300000113.5M238 S244 M245M238-G242 PolarHBondContact O-N 3.28Å; G242-S244 PolarHBondContact O-N 2.75Å; G242-S244 VanDerWaalsContact O-N 3.08Å; G242-M245 VanDerWaalsContact O-CB 3.24Å; G242-M245 WeakPolarHBondContact O-CB 3.24Å; G242-M245 PolarHBondContact O-N 2.82Å
243K87.7Confident87.4Confident138 Ų13872.1 Ų72.160%0.639%0.389SS*.THydrogen-bonded Turntrans-57.7-21.6171.4-72.9157.8-169.1157.20113.9D239 F241D239-K243 VanDerWaalsContact O-CD 3.29Å; D239-K243 WeakPolarHBondContact O-CD 3.17Å; D239-K243 WeakPolarHBondContact O-CE 2.99Å; D239-K243 WeakPolarHBondContact O-CG 3.33Å; D239-K243 PolarHBondContact O-N 3.06Å; D239-K243 WeakPolarHBondContact OD1-CE 2.95Å; D239-K243 IonicContact OD1-NZ 2.72Å; D239-K243 PolarHBondContact OD1-NZ 3.36Å; D239-K243 IonicContact OD2-NZ 3.21Å; D239-K243 PolarHBondContact OD2-NZ 3.09Å; F241-K243 PolarHBondContact O-N 3.05Å
244S84.3Confident87.1Confident28 Ų2873.1 Ų73.120%0.19639%0.394CS..THydrogen-bonded Turntrans-99.6-2.2174.776.40000114.5F241 G242 D247 L248F241-S244 WeakPolarHBondContact O-CA 3.48Å; F241-S244 WeakPolarHBondContact O-CB 3.42Å; F241-S244 PolarHBondContact O-N 3.08Å; F241-S244 PolarHBondContact O-OG 3.35Å; G242-S244 PolarHBondContact O-N 2.75Å; G242-S244 VanDerWaalsContact O-N 3.08Å; S244-D247 WeakPolarHBondContact O-CB 3.44Å; S244-D247 PolarHBondContact O-N 3.48Å; S244-L248 WeakPolarHBondContact O-CB 3.18Å; S244-L248 PolarHBondContact O-N 3.48Å
245M84.8Confident86.5Confident73 Ų7374 Ų7436%0.3640%0.397SS..Hα-helixtrans-70.8-44.1-175.6-167.16477.700112.4F104 F241 G242 D247 L248 S249F104-M245 HydrophobicContact CE1-CE 4.28Å; F104-M245 HydrophobicContact CZ-CE 4.09Å; F104-M245 HydrophobicContact CZ-SD 4.35Å; F241-M245 HydrophobicContact CD1-CE 4.26Å; F241-M245 HydrophobicContact CE1-CE 3.65Å; F241-M245 HydrophobicContact CZ-CE 4.19Å; G242-M245 VanDerWaalsContact O-CB 3.24Å; G242-M245 WeakPolarHBondContact O-CB 3.24Å; G242-M245 PolarHBondContact O-N 2.82Å; M245-D247 VanDerWaalsContact C-N 3.3Å; M245-D247 PolarHBondContact O-N 2.92Å; M245-L248 PolarHBondContact O-N 3.31Å; M245-L248 VanDerWaalsContact O-N 3.11Å; M245-S249 WeakPolarHBondContact O-CB 3.05Å; M245-S249 PolarHBondContact O-N 3.47Å
246N80.7Confident86.1Confident125 Ų12573.8 Ų73.867%0.66839%0.392SS*.Hα-helixtrans-60.4-42.5174.5-73.3-27.9000111.4L248 S249 N250N246-L248 PolarHBondContact O-N 3.38Å; N246-S249 PolarHBondContact O-N 3.14Å; N246-N250 VanDerWaalsContact O-CB 3.31Å; N246-N250 WeakPolarHBondContact O-CB 3.39Å; N246-N250 VanDerWaalsContact O-CG 3.25Å; N246-N250 PolarHBondContact O-N 3.18Å; N246-N250 PolarHBondContact O-ND2 2.86Å; N246-N250 VanDerWaalsContact O-ND2 3.1Å
247D83.6Confident85.8Confident87 Ų8778.3 Ų78.347%0.46540%0.401SS..Hα-helixtrans-58.7-35.7174.9-117.251.5000112.7S244 M245 R251S244-D247 WeakPolarHBondContact O-CB 3.44Å; S244-D247 PolarHBondContact O-N 3.48Å; M245-D247 VanDerWaalsContact C-N 3.3Å; M245-D247 PolarHBondContact O-N 2.92Å; D247-R251 WeakPolarHBondContact O-CD 3.44Å; D247-R251 VanDerWaalsContact O-CG 3.24Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 PolarHBondContact O-N 2.92Å; D247-R251 PolarHBondContact O-NE 3.38Å; D247-R251 IonicContact OD2-CZ 2.76Å; D247-R251 IonicContact OD2-NH2 2.98Å; D247-R251 PolarHBondContact OD2-NH2 2.73Å
248L85.6Confident85.4Confident14 Ų1479 Ų797%0.07340%0.403CS..Hα-helixtrans-80.1-45177.8178.152.1000112.1S100 F104 S244 M245 N246 N250 R251 V252S100-L248 WeakPolarHBondContact OG-CD1 3.39Å; F104-L248 HydrophobicContact CE2-CD2 3.71Å; F104-L248 HydrophobicContact CZ-CD2 4.38Å; S244-L248 WeakPolarHBondContact O-CB 3.18Å; S244-L248 PolarHBondContact O-N 3.48Å; M245-L248 PolarHBondContact O-N 3.31Å; M245-L248 VanDerWaalsContact O-N 3.11Å; N246-L248 PolarHBondContact O-N 3.38Å; L248-N250 VanDerWaalsContact C-N 3.3Å; L248-N250 PolarHBondContact O-N 3.39Å; L248-R251 CarbonylContact O-C 3.48Å; L248-R251 WeakPolarHBondContact O-CB 3.46Å; L248-R251 PolarHBondContact O-N 3.05Å; L248-R251 VanDerWaalsContact O-N 3.09Å; L248-V252 HydrophobicContact CD1-CG2 4.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 2.94Å
249S84.2Confident84.8Confident56 Ų5681 Ų8139%0.39242%0.415SS..Hα-helixtrans-59.3-41.1175.3179.90000111.5M245 N246 R251 V252 N253M245-S249 WeakPolarHBondContact O-CB 3.05Å; M245-S249 PolarHBondContact O-N 3.47Å; N246-S249 PolarHBondContact O-N 3.14Å; S249-R251 VanDerWaalsContact C-N 3.35Å; S249-R251 PolarHBondContact O-N 3.02Å; S249-V252 PolarHBondContact O-N 3.49Å; S249-N253 WeakPolarHBondContact O-CB 3.36Å; S249-N253 PolarHBondContact O-N 3.36Å; S249-N253 PolarHBondContact O-ND2 3.35Å; S249-N253 PolarHBondContact OG-ND2 2.9Å
250N85.2Confident84.5Confident106 Ų10680 Ų8057%0.56741%0.409SS*.Hα-helixtrans-58.6-44.8172.7-77.9-35.3000111.9N246 L248 N253 E254N246-N250 VanDerWaalsContact O-CB 3.31Å; N246-N250 WeakPolarHBondContact O-CB 3.39Å; N246-N250 VanDerWaalsContact O-CG 3.25Å; N246-N250 PolarHBondContact O-N 3.18Å; N246-N250 PolarHBondContact O-ND2 2.86Å; N246-N250 VanDerWaalsContact O-ND2 3.1Å; L248-N250 VanDerWaalsContact C-N 3.3Å; L248-N250 PolarHBondContact O-N 3.39Å; N250-N253 PolarHBondContact O-N 3.36Å; N250-E254 WeakPolarHBondContact O-CB 3.44Å; N250-E254 PolarHBondContact O-N 2.86Å
251R82.6Confident84.3Confident90 Ų9076.5 Ų76.534%0.3440%0.395SS..Hα-helixtrans-64.1-45.6175.5-68.2166.1-143.4-137.30.1111.8D96 D247 L248 S249 N253 E254 L255D96-R251 IonicContact OD1-NH1 2.63Å; D247-R251 WeakPolarHBondContact O-CD 3.44Å; D247-R251 VanDerWaalsContact O-CG 3.24Å; D247-R251 WeakPolarHBondContact O-CG 3.25Å; D247-R251 PolarHBondContact O-N 2.92Å; D247-R251 PolarHBondContact O-NE 3.38Å; D247-R251 IonicContact OD2-CZ 2.76Å; D247-R251 IonicContact OD2-NH2 2.98Å; D247-R251 PolarHBondContact OD2-NH2 2.73Å; L248-R251 CarbonylContact O-C 3.48Å; L248-R251 WeakPolarHBondContact O-CB 3.46Å; L248-R251 PolarHBondContact O-N 3.05Å; L248-R251 VanDerWaalsContact O-N 3.09Å; S249-R251 VanDerWaalsContact C-N 3.35Å; S249-R251 PolarHBondContact O-N 3.02Å; R251-N253 VanDerWaalsContact C-N 3.3Å; R251-N253 PolarHBondContact O-N 2.85Å; R251-E254 CarbonylContact O-C 3.49Å; R251-E254 WeakPolarHBondContact O-CA 3.48Å; R251-E254 PolarHBondContact O-N 3.28Å; R251-L255 VanDerWaalsContact O-CG 3.27Å; R251-L255 WeakPolarHBondContact O-CG 3.36Å; R251-L255 PolarHBondContact O-N 2.72Å
252V83.1Confident83.9Confident60 Ų6079.8 Ų79.836%0.36441%0.41SS..Hα-helixtrans-59.9-42.4176.8173.60000111L248 S249 E254 L255 H256L248-V252 HydrophobicContact CD1-CG2 4.24Å; L248-V252 WeakPolarHBondContact O-CG2 3.4Å; L248-V252 PolarHBondContact O-N 2.94Å; S249-V252 PolarHBondContact O-N 3.49Å; V252-E254 VanDerWaalsContact C-N 3.33Å; V252-E254 PolarHBondContact O-N 2.81Å; V252-L255 PolarHBondContact O-N 2.88Å; V252-H256 WeakPolarHBondContact O-CB 3.46Å; V252-H256 PolarHBondContact O-N 2.81Å
253N83.5Confident83.8Confident74 Ų7483.2 Ų83.240%0.39642%0.415SS..Hα-helixtrans-65.3-33.5173.9-80.7-68.7000113.1S249 N250 R251 K257S249-N253 WeakPolarHBondContact O-CB 3.36Å; S249-N253 PolarHBondContact O-N 3.36Å; S249-N253 PolarHBondContact O-ND2 3.35Å; S249-N253 PolarHBondContact OG-ND2 2.9Å; N250-N253 PolarHBondContact O-N 3.36Å; R251-N253 VanDerWaalsContact C-N 3.3Å; R251-N253 PolarHBondContact O-N 2.85Å; N253-K257 WeakPolarHBondContact O-CB 3.48Å; N253-K257 WeakPolarHBondContact O-CD 3.45Å; N253-K257 WeakPolarHBondContact O-CG 3.36Å; N253-K257 PolarHBondContact O-N 3.46Å
254E84.5Confident83.7Confident120 Ų12083.2 Ų83.256%0.56141%0.411SS*.Hα-helixtrans-72.8-39.4173.7-170.4156.9-135.600112N250 R251 V252 K257 I258N250-E254 WeakPolarHBondContact O-CB 3.44Å; N250-E254 PolarHBondContact O-N 2.86Å; R251-E254 CarbonylContact O-C 3.49Å; R251-E254 WeakPolarHBondContact O-CA 3.48Å; R251-E254 PolarHBondContact O-N 3.28Å; V252-E254 VanDerWaalsContact C-N 3.33Å; V252-E254 PolarHBondContact O-N 2.81Å; E254-K257 PolarHBondContact O-N 2.85Å; E254-I258 HydrophobicContact CG-CD1 4.06Å; E254-I258 WeakPolarHBondContact O-CB 3.42Å; E254-I258 VanDerWaalsContact O-CG1 3.22Å; E254-I258 WeakPolarHBondContact O-CG1 3.24Å; E254-I258 PolarHBondContact O-N 2.88Å
255L82.6Confident83.7Confident36 Ų3689.7 Ų89.719%0.18843%0.431CS..Hα-helixtrans-61.6-41.9170.2-65.6179.9000111.5N93 I97 R251 V252 I258 N259N93-L255 HydrophobicContact CB-CD2 3.43Å; N93-L255 VanDerWaalsContact CB-CD2 3.43Å; N93-L255 WeakPolarHBondContact ND2-CD2 3.36Å; I97-L255 HydrophobicContact CG1-CD1 3.97Å; R251-L255 VanDerWaalsContact O-CG 3.27Å; R251-L255 WeakPolarHBondContact O-CG 3.36Å; R251-L255 PolarHBondContact O-N 2.72Å; V252-L255 PolarHBondContact O-N 2.88Å; L255-I258 PolarHBondContact O-N 3.18Å; L255-N259 VanDerWaalsContact O-CB 3.26Å; L255-N259 WeakPolarHBondContact O-CB 3.24Å; L255-N259 PolarHBondContact O-N 3.23Å
256H83.6Confident83.5Confident117 Ų11792.1 Ų92.154%0.54245%0.445SS..Hα-helixtrans-62-49.2172.3-75.1-176.7000110.7V252 I258 N259 D260V252-H256 WeakPolarHBondContact O-CB 3.46Å; V252-H256 PolarHBondContact O-N 2.81Å; H256-I258 VanDerWaalsContact C-N 3.34Å; H256-I258 PolarHBondContact O-N 3.24Å; H256-N259 PolarHBondContact O-N 3.46Å; H256-D260 VanDerWaalsContact O-CB 3.28Å; H256-D260 WeakPolarHBondContact O-CB 3.32Å; H256-D260 PolarHBondContact O-N 2.85Å
257K85.9Confident83.6Confident135 Ų13589.2 Ų89.259%0.58743%0.432SS*.Hα-helixtrans-58.6-41.8175.3-72.4161.6-171.3168.90112.5N253 E254 D260 I261N253-K257 WeakPolarHBondContact O-CB 3.48Å; N253-K257 WeakPolarHBondContact O-CD 3.45Å; N253-K257 WeakPolarHBondContact O-CG 3.36Å; N253-K257 PolarHBondContact O-N 3.46Å; E254-K257 PolarHBondContact O-N 2.85Å; K257-D260 PolarHBondContact O-N 2.93Å; K257-I261 VanDerWaalsContact O-CB 3.28Å; K257-I261 WeakPolarHBondContact O-CB 3.17Å; K257-I261 WeakPolarHBondContact O-CD1 3.45Å; K257-I261 WeakPolarHBondContact O-CG1 3.41Å; K257-I261 PolarHBondContact O-N 2.72Å
258I84.1Confident83.6Confident56 Ų5689 Ų8929%0.28743%0.431SS..Hα-helixtrans-63.9-48176.8-71.8163.4000110.2E254 L255 H256 D260 I261 Q262E254-I258 HydrophobicContact CG-CD1 4.06Å; E254-I258 WeakPolarHBondContact O-CB 3.42Å; E254-I258 VanDerWaalsContact O-CG1 3.22Å; E254-I258 WeakPolarHBondContact O-CG1 3.24Å; E254-I258 PolarHBondContact O-N 2.88Å; L255-I258 PolarHBondContact O-N 3.18Å; H256-I258 VanDerWaalsContact C-N 3.34Å; H256-I258 PolarHBondContact O-N 3.24Å; I258-D260 VanDerWaalsContact C-N 3.32Å; I258-D260 PolarHBondContact O-N 3.36Å; I258-I261 PolarHBondContact O-N 2.89Å; I258-Q262 HydrophobicContact CG2-CG 4.34Å; I258-Q262 VanDerWaalsContact O-CB 3.29Å; I258-Q262 WeakPolarHBondContact O-CB 3.49Å; I258-Q262 WeakPolarHBondContact O-CG 3.13Å; I258-Q262 PolarHBondContact O-N 3.07Å
259N79.8Confident83.3Confident99 Ų9991.8 Ų91.853%0.52945%0.448SS..Hα-helixtrans-64.2-37.4177.6-1706.1000111.4L255 H256 Q262 K263L255-N259 VanDerWaalsContact O-CB 3.26Å; L255-N259 WeakPolarHBondContact O-CB 3.24Å; L255-N259 PolarHBondContact O-N 3.23Å; H256-N259 PolarHBondContact O-N 3.46Å; N259-Q262 PolarHBondContact O-N 3.04Å; N259-K263 WeakPolarHBondContact O-CB 3.33Å; N259-K263 PolarHBondContact O-N 3.36Å
260D82.5Confident83.3Confident69 Ų6994 Ų9437%0.36945%0.448SS..Hα-helixtrans-74.3-32.7178.6-135.944.3000112.3H256 K257 I258 R264H256-D260 VanDerWaalsContact O-CB 3.28Å; H256-D260 WeakPolarHBondContact O-CB 3.32Å; H256-D260 PolarHBondContact O-N 2.85Å; K257-D260 PolarHBondContact O-N 2.93Å; I258-D260 VanDerWaalsContact C-N 3.32Å; I258-D260 PolarHBondContact O-N 3.36Å; D260-R264 WeakPolarHBondContact O-CB 3.1Å; D260-R264 VanDerWaalsContact O-CG 3.27Å; D260-R264 WeakPolarHBondContact O-CG 3.37Å; D260-R264 PolarHBondContact O-N 3.13Å; D260-R264 PolarHBondContact O-NE 3.36Å; D260-R264 IonicContact OD2-CZ 3.23Å; D260-R264 IonicContact OD2-NE 2.66Å; D260-R264 IonicContact OD2-NH2 3.59Å; D260-R264 PolarHBondContact OD2-NH2 2.95Å
261I86.3Confident83.2Confident74 Ų7492.7 Ų92.738%0.37944%0.439SS..Hα-helixtrans-72.5-38170.1-71.2164.8000110.8K257 I258 R265K257-I261 VanDerWaalsContact O-CB 3.28Å; K257-I261 WeakPolarHBondContact O-CB 3.17Å; K257-I261 WeakPolarHBondContact O-CD1 3.45Å; K257-I261 WeakPolarHBondContact O-CG1 3.41Å; K257-I261 PolarHBondContact O-N 2.72Å; I258-I261 PolarHBondContact O-N 2.89Å; I261-R265 WeakPolarHBondContact O-CB 3.31Å; I261-R265 VanDerWaalsContact O-CG 3.24Å; I261-R265 WeakPolarHBondContact O-CG 3.49Å; I261-R265 PolarHBondContact O-N 2.81Å
262Q82Confident83Confident83 Ų8392.6 Ų92.639%0.38844%0.442SS..Hα-helixtrans-65.7-42.9172.3-77170.6-1800110.7I258 N259 R265 L266I258-Q262 HydrophobicContact CG2-CG 4.34Å; I258-Q262 VanDerWaalsContact O-CB 3.29Å; I258-Q262 WeakPolarHBondContact O-CB 3.49Å; I258-Q262 WeakPolarHBondContact O-CG 3.13Å; I258-Q262 PolarHBondContact O-N 3.07Å; N259-Q262 PolarHBondContact O-N 3.04Å; Q262-R265 CarbonylContact O-C 3.5Å; Q262-R265 PolarHBondContact O-N 2.94Å; Q262-L266 VanDerWaalsContact O-CB 3.23Å; Q262-L266 WeakPolarHBondContact O-CB 3.46Å; Q262-L266 WeakPolarHBondContact O-CD1 3.19Å; Q262-L266 WeakPolarHBondContact O-CG 3.11Å; Q262-L266 PolarHBondContact O-N 3.48Å
263K84.1Confident82.6Confident107 Ų10790.2 Ų90.247%0.46543%0.428SS..Hα-helixtrans-64.4-41.7175.2-179.9-178.3176.2-174.50111.7N259 L266 V267N259-K263 WeakPolarHBondContact O-CB 3.33Å; N259-K263 PolarHBondContact O-N 3.36Å; K263-L266 CarbonylContact O-C 3.59Å; K263-L266 PolarHBondContact O-N 2.91Å; K263-V267 WeakPolarHBondContact O-CB 3.34Å; K263-V267 VanDerWaalsContact O-CG2 3.3Å; K263-V267 WeakPolarHBondContact O-CG2 3.2Å; K263-V267 PolarHBondContact O-N 3.5Å
264R85.5Confident82.1Confident138 Ų13888.2 Ų88.252%0.52142%0.416SS..Hα-helixtrans-63.1-52.6171.7-77.2174.6-123.7162-1.8110.6D260 L266 V267 D268D260-R264 WeakPolarHBondContact O-CB 3.1Å; D260-R264 VanDerWaalsContact O-CG 3.27Å; D260-R264 WeakPolarHBondContact O-CG 3.37Å; D260-R264 PolarHBondContact O-N 3.13Å; D260-R264 PolarHBondContact O-NE 3.36Å; D260-R264 IonicContact OD2-CZ 3.23Å; D260-R264 IonicContact OD2-NE 2.66Å; D260-R264 IonicContact OD2-NH2 3.59Å; D260-R264 PolarHBondContact OD2-NH2 2.95Å; R264-L266 VanDerWaalsContact C-N 3.25Å; R264-L266 PolarHBondContact O-N 2.95Å; R264-L266 VanDerWaalsContact O-N 3.17Å; R264-V267 CarbonylContact O-C 2.98Å; R264-V267 WeakPolarHBondContact O-CA 3.26Å; R264-V267 WeakPolarHBondContact O-CB 3.28Å; R264-V267 PolarHBondContact O-N 3.4Å; R264-D268 PolarHBondContact O-N 2.87Å
265R84.1Confident81.5Confident164 Ų16483.1 Ų83.162%0.61940%0.395SS*.Hα-helixtrans-56.1-34.5173.3-72.1172.4-177.9179.71.5113.7I261 Q262 V267 T269I261-R265 WeakPolarHBondContact O-CB 3.31Å; I261-R265 VanDerWaalsContact O-CG 3.24Å; I261-R265 WeakPolarHBondContact O-CG 3.49Å; I261-R265 PolarHBondContact O-N 2.81Å; Q262-R265 CarbonylContact O-C 3.5Å; Q262-R265 PolarHBondContact O-N 2.94Å; R265-V267 VanDerWaalsContact C-N 3.29Å; R265-T269 VanDerWaalsContact O-CA 3.32Å; R265-T269 WeakPolarHBondContact O-CA 3.23Å; R265-T269 WeakPolarHBondContact O-CB 3.34Å; R265-T269 PolarHBondContact O-N 3.36Å; R265-T269 PolarHBondContact O-OG1 3.02Å
266L80Confident81.1Confident124 Ų12483.1 Ų83.165%0.64940%0.396SS*.Hα-helixtrans-80.7-6.2174.8-71.6167.5000113.7Q262 K263 R264 R270Q262-L266 VanDerWaalsContact O-CB 3.23Å; Q262-L266 WeakPolarHBondContact O-CB 3.46Å; Q262-L266 WeakPolarHBondContact O-CD1 3.19Å; Q262-L266 WeakPolarHBondContact O-CG 3.11Å; Q262-L266 PolarHBondContact O-N 3.48Å; K263-L266 CarbonylContact O-C 3.59Å; K263-L266 PolarHBondContact O-N 2.91Å; R264-L266 VanDerWaalsContact C-N 3.25Å; R264-L266 PolarHBondContact O-N 2.95Å; R264-L266 VanDerWaalsContact O-N 3.17Å; L266-R270 WeakPolarHBondContact O-CB 3.29Å
267V82.4Confident80Confident65 Ų6580.3 Ų80.339%0.39439%0.385SS..Hα-helixtrans-97.2-41.9166.6167.30000109.8K263 R264 R265 R270 E271K263-V267 WeakPolarHBondContact O-CB 3.34Å; K263-V267 VanDerWaalsContact O-CG2 3.3Å; K263-V267 WeakPolarHBondContact O-CG2 3.2Å; K263-V267 PolarHBondContact O-N 3.5Å; R264-V267 CarbonylContact O-C 2.98Å; R264-V267 WeakPolarHBondContact O-CA 3.26Å; R264-V267 WeakPolarHBondContact O-CB 3.28Å; R264-V267 PolarHBondContact O-N 3.4Å; R265-V267 VanDerWaalsContact C-N 3.29Å; V267-R270 CarbonylContact O-C 3.56Å; V267-R270 WeakPolarHBondContact O-CA 3.49Å; V267-R270 WeakPolarHBondContact O-CB 3.34Å; V267-R270 PolarHBondContact O-N 3.05Å; V267-E271 HydrophobicContact CG1-CG 4.21Å; V267-E271 WeakPolarHBondContact O-CB 3.48Å; V267-E271 VanDerWaalsContact O-CG 3.31Å; V267-E271 WeakPolarHBondContact O-CG 3.38Å; V267-E271 PolarHBondContact O-N 3.11Å
268D83.9Confident78.7Confident83 Ų8379.5 Ų79.544%0.44439%0.387SS..Hα-helixtrans-62.5-61.3174.2-51.9-36.2000108.3R264 R270 E271 E272R264-D268 PolarHBondContact O-N 2.87Å; D268-R270 PolarHBondContact O-N 2.97Å; D268-E271 PolarHBondContact O-N 3.21Å; D268-E272 WeakPolarHBondContact O-CG 3.44Å; D268-E272 PolarHBondContact O-N 2.68Å
269T79.1Confident77.1Confident71 Ų7183.4 Ų83.444%0.43640%0.402SS..Hα-helixtrans-70.635.4165.1-38.60000112.5R265 V273R265-T269 VanDerWaalsContact O-CA 3.32Å; R265-T269 WeakPolarHBondContact O-CA 3.23Å; R265-T269 WeakPolarHBondContact O-CB 3.34Å; R265-T269 PolarHBondContact O-N 3.36Å; R265-T269 PolarHBondContact O-OG1 3.02Å; T269-V273 VanDerWaalsContact C-CG2 3.42Å; T269-V273 HydrophobicContact CG2-CG2 3.47Å; T269-V273 VanDerWaalsContact CG2-CG2 3.47Å; T269-V273 VanDerWaalsContact O-CG2 3.31Å; T269-V273 WeakPolarHBondContact O-CG2 3.27Å
270R84.8Confident75.4Confident102 Ų10287.7 Ų87.739%0.38542%0.419SS..Hα-helixtrans-129.2-40.2155.3170.2-179172.9-100.5-10.9110.7L266 V267 D268 K274 Y288L266-R270 WeakPolarHBondContact O-CB 3.29Å; V267-R270 CarbonylContact O-C 3.56Å; V267-R270 WeakPolarHBondContact O-CA 3.49Å; V267-R270 WeakPolarHBondContact O-CB 3.34Å; V267-R270 PolarHBondContact O-N 3.05Å; D268-R270 PolarHBondContact O-N 2.97Å; R270-K274 WeakPolarHBondContact O-CD 3.14Å; R270-K274 WeakPolarHBondContact O-CG 3.48Å; R270-K274 PolarHBondContact O-N 2.73Å; R270-Y288 PolarHBondContact NH2-OH 3.48Å
271E82.1Confident73.3Confident79 Ų7988.6 Ų88.637%0.36943%0.431SS..Hα-helixtrans-87-48-178.2-59.3-51131.600113.2V267 D268 V273 K274 G275V267-E271 HydrophobicContact CG1-CG 4.21Å; V267-E271 WeakPolarHBondContact O-CB 3.48Å; V267-E271 VanDerWaalsContact O-CG 3.31Å; V267-E271 WeakPolarHBondContact O-CG 3.38Å; V267-E271 PolarHBondContact O-N 3.11Å; D268-E271 PolarHBondContact O-N 3.21Å; E271-V273 PolarHBondContact O-N 3.07Å; E271-K274 PolarHBondContact O-N 3.39Å; E271-K274 IonicContact OE1-NZ 3.99Å; E271-K274 PolarHBondContact OE1-NZ 2.86Å; E271-K274 VanDerWaalsContact OE2-CD 3.3Å; E271-K274 WeakPolarHBondContact OE2-CD 3.31Å; E271-K274 IonicContact OE2-NZ 3.53Å; E271-K274 PolarHBondContact OE2-NZ 2.63Å; E271-G275 PolarHBondContact O-N 2.84Å
272E78.3Confident70.8Confident88 Ų8891.3 Ų91.341%0.41145%0.45SS..Hα-helixtrans-66.5-30.7165.565.9164.5174.800110.5D268 G275 M359 D360D268-E272 WeakPolarHBondContact O-CG 3.44Å; D268-E272 PolarHBondContact O-N 2.68Å; E272-G275 WeakPolarHBondContact O-CA 3.48Å; E272-G275 PolarHBondContact O-N 2.93Å; E272-G275 VanDerWaalsContact O-N 3.12Å; E272-M359 CarbonylContact O-C 3.59Å; E272-M359 VanDerWaalsContact O-O 3.12Å; E272-D360 HydrophobicContact CG-CB 4.09Å; E272-D360 PolarHBondContact O-N 2.92Å; E272-D360 WeakPolarHBondContact OE2-CA 3.46Å
273V75.6Confident68.7Low11 Ų1195.3 Ų95.37%0.06747%0.469CS..Hα-helixtrans-52-66.8167.1150.20000111T269 E271 G275 V276 T356 E357 C358 M359T269-V273 VanDerWaalsContact C-CG2 3.42Å; T269-V273 HydrophobicContact CG2-CG2 3.47Å; T269-V273 VanDerWaalsContact CG2-CG2 3.47Å; T269-V273 VanDerWaalsContact O-CG2 3.31Å; T269-V273 WeakPolarHBondContact O-CG2 3.27Å; E271-V273 PolarHBondContact O-N 3.07Å; V273-G275 CarbonylContact O-C 3.58Å; V273-G275 PolarHBondContact O-N 2.98Å; V273-V276 PolarHBondContact O-N 3.21Å; V273-T356 WeakPolarHBondContact CG1-O 3.31Å; V273-E357 CarbonylContact C-O 3.52Å; V273-E357 CarbonylContact O-C 3.55Å; V273-C358 HydrophobicContact CB-CB 4.32Å; V273-C358 HydrophobicContact CG1-CB 4.27Å; V273-C358 HydrophobicContact CG2-CB 3.77Å; V273-C358 CarbonylContact O-C 3.58Å; V273-C358 WeakPolarHBondContact O-CA 3.5Å; V273-M359 PolarHBondContact O-N 2.91Å
274K73.1Confident66.2Low32 Ų3296.8 Ų96.814%0.13949%0.487CS..Hα-helixtrans-41.1-32.8176.4-80.2154.8158.1-175.80113.9R270 E271 V276 L277 D278 T356 E357R270-K274 WeakPolarHBondContact O-CD 3.14Å; R270-K274 WeakPolarHBondContact O-CG 3.48Å; R270-K274 PolarHBondContact O-N 2.73Å; E271-K274 PolarHBondContact O-N 3.39Å; E271-K274 IonicContact OE1-NZ 3.99Å; E271-K274 PolarHBondContact OE1-NZ 2.86Å; E271-K274 VanDerWaalsContact OE2-CD 3.3Å; E271-K274 WeakPolarHBondContact OE2-CD 3.31Å; E271-K274 IonicContact OE2-NZ 3.53Å; E271-K274 PolarHBondContact OE2-NZ 2.63Å; K274-V276 PolarHBondContact O-N 3.37Å; K274-L277 PolarHBondContact O-N 2.85Å; K274-D278 PolarHBondContact O-N 3.2Å; K274-T356 HydrophobicContact CB-CG2 4.43Å; K274-T356 HydrophobicContact CG-CG2 3.66Å; K274-E357 PolarHBondContact N-O 2.86Å
275G71Confident63.5Low12 Ų1293.7 Ų93.712%0.12450%0.498CS..THydrogen-bonded Turntrans-54-6171.500000118E271 E272 V273 K279E271-G275 PolarHBondContact O-N 2.84Å; E272-G275 WeakPolarHBondContact O-CA 3.48Å; E272-G275 PolarHBondContact O-N 2.93Å; E272-G275 VanDerWaalsContact O-N 3.12Å; V273-G275 CarbonylContact O-C 3.58Å; V273-G275 PolarHBondContact O-N 2.98Å; G275-K279 WeakPolarHBondContact O-CB 3.29Å; G275-K279 WeakPolarHBondContact O-CD 3.5Å; G275-K279 WeakPolarHBondContact O-CE 3.31Å; G275-K279 WeakPolarHBondContact O-CG 3.44Å
276V75.1Confident61Low36 Ų3689.8 Ų89.822%0.21849%0.492CS..THydrogen-bonded Turntrans-74.6-56.5159.7121.70000110.2V273 K274 D278 K279 E280 E357 C358 M359V273-V276 PolarHBondContact O-N 3.21Å; K274-V276 PolarHBondContact O-N 3.37Å; V276-D278 PolarHBondContact O-N 2.85Å; V276-K279 PolarHBondContact O-N 3.42Å; V276-E280 PolarHBondContact O-N 2.88Å; V276-E357 HydrophobicContact CG1-CB 4.07Å; V276-C358 WeakPolarHBondContact CG2-O 3.31Å; V276-M359 HydrophobicContact CB-CB 3.9Å; V276-M359 HydrophobicContact CB-CG 4.46Å; V276-M359 VanDerWaalsContact CB-N 3.34Å; V276-M359 HydrophobicContact CG2-CB 3.4Å; V276-M359 VanDerWaalsContact CG2-CB 3.4Å; V276-M359 HydrophobicContact CG2-CG 3.44Å; V276-M359 VanDerWaalsContact CG2-CG 3.44Å
277L60.9Low58.8Low58 Ų5888.1 Ų88.130%0.30449%0.487SS..THydrogen-bonded Turntrans-67.8-33.6-165.1-68.8-173.9000109.7K274 K279 T356 E357K274-L277 PolarHBondContact O-N 2.85Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.19Å; L277-T356 HydrophobicContact CD1-CG2 3.8Å; L277-E357 HydrophobicContact CD1-CB 4.22Å; L277-E357 HydrophobicContact CD1-CG 4.41Å; L277-E357 VanDerWaalsContact CD1-N 3.31Å; L277-E357 HydrophobicContact CD2-CB 4.05Å; L277-E357 HydrophobicContact CD2-CG 4.46Å; L277-E357 HydrophobicContact CG-CB 4.03Å
278D58.3Low56.2Low119 Ų11994 Ų9464%0.63650%0.504SS*.THydrogen-bonded Turntrans-75.5-8.6177-60.7-19.9000113.9K274 V276K274-D278 PolarHBondContact O-N 3.2Å; V276-D278 PolarHBondContact O-N 2.85Å
279K50.8Low53.7Low137 Ų13793 Ų9360%0.59651%0.507SS*.THydrogen-bonded Turntrans-107-18.9-176.1-75.7-178.9-162.9154.60115.9G275 V276 L277 M359G275-K279 WeakPolarHBondContact O-CB 3.29Å; G275-K279 WeakPolarHBondContact O-CD 3.5Å; G275-K279 WeakPolarHBondContact O-CE 3.31Å; G275-K279 WeakPolarHBondContact O-CG 3.44Å; V276-K279 PolarHBondContact O-N 3.42Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.19Å; K279-M359 PolarHBondContact NZ-O 2.85Å
280E42.4Very low51.4Low189 Ų18994.8 Ų94.888%0.88353%0.529SS*.SBendtrans-101.48.2176.4-74-158.3134.400114.6V276V276-E280 PolarHBondContact O-N 2.88Å
281S39.4Very low49Very low88 Ų8895.3 Ų95.362%0.61554%0.536SS*.SBendtrans-129.5143.7172.164.40000112.5
282V34.7Very low46.8Very low131 Ų13196 Ų9679%0.79455%0.547SS*.  trans-93.2138.2-176.3170.70000110
283Q35.9Very low45.3Very low167 Ų16795.1 Ų95.178%0.7855%0.548SS*.SBendtrans73.493.5173.1-74.1165-10.200117.5
284T32.8Very low43.8Very low139 Ų139100.4 Ų100.485%0.85358%0.582SS**  39.8122.6122.257.30000118.6
285G29.6Very low42.6Very low72 Ų72102.1 Ų102.174%0.74259%0.593SS**  cis154.51182.200000109.6
286V31.1Very low42Very low82 Ų82105 Ų10550%0.49761%0.605SS.*  trans-138.6115.6-167.3178.80000110.5Q291V286-Q291 HydrophobicContact CG1-CB 4.21Å; V286-Q291 HydrophobicContact CG1-CG 3.67Å
287T32.4Very low41.5Very low89 Ų89113.5 Ų113.555%0.54663%0.634SS.*  trans-128123.9177.831.10000111.7A289T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 2.64Å
288Y28Very low41.8Very low189 Ų189115 Ų11574%0.74165%0.654SS**SBendtrans55.929.7169.3-65.8-78.4000117.8R270R270-Y288 PolarHBondContact NH2-OH 3.48Å
289A32.7Very low42.3Very low62 Ų62112.3 Ų112.351%0.51264%0.637SS.*SBendtrans-100.9149.9156.400000110.3T287 Q291T287-A289 VanDerWaalsContact C-N 3.31Å; T287-A289 PolarHBondContact O-N 2.64Å; A289-Q291 HydrophobicContact CB-CG 3.97Å; A289-Q291 PolarHBondContact O-N 3.33Å
290A31.4Very low43.8Very low108 Ų108107.3 Ų107.389%0.89362%0.624SS**  trans-74.472162.500000108.9
291Q33.9Very low45.9Very low114 Ų114100.2 Ų100.253%0.53359%0.594SS.*PPolyproline II helixtrans-77.7135.3172.5-70.2-153.21.900109.9V286 A289 T293V286-Q291 HydrophobicContact CG1-CB 4.21Å; V286-Q291 HydrophobicContact CG1-CG 3.67Å; A289-Q291 HydrophobicContact CB-CG 3.97Å; A289-Q291 PolarHBondContact O-N 3.33Å; Q291-T293 PolarHBondContact O-N 2.71Å
292P36.2Very low48.2Very low93 Ų93101.7 Ų101.760%0.60459%0.589SS**PPolyproline II helixtrans-68.7118.3172.128.4-32.3000109.2L295P292-L295 HydrophobicContact CB-CD1 4.18Å
293T45.4Very low50.9Low70 Ų7097 Ų9743%0.42956%0.557SS.*PPolyproline II helixtrans-47.6132.2158.9-220000107.7Q291 L295 N416Q291-T293 PolarHBondContact O-N 2.71Å; T293-L295 PolarHBondContact O-N 2.68Å; T293-N416 PolarHBondContact OG1-ND2 3.4Å
294P45.2Very low53.5Low121 Ų12192.6 Ų92.679%0.78655%0.545SS*.  trans-55.5113.6-173.319.7-32.7000110.8N296P294-N296 PolarHBondContact O-N 3.41Å
295L47.8Very low56.3Low69 Ų6986.7 Ų86.736%0.36151%0.512SS..  trans-67.197.7-175-82.391.7000110.4P292 T293 R297 Q420P292-L295 HydrophobicContact CB-CD1 4.18Å; T293-L295 PolarHBondContact O-N 2.68Å; L295-R297 VanDerWaalsContact C-N 3.28Å; L295-R297 PolarHBondContact O-N 3.49Å; L295-Q420 HydrophobicContact CD1-CG 4.49Å; L295-Q420 HydrophobicContact CD2-CB 3.9Å; L295-Q420 HydrophobicContact CD2-CG 3.84Å
296N58.5Low59.2Low73 Ų7387.3 Ų87.339%0.3949%0.494SS..  trans-72.688.9168.3-168.9-12000109.3P294 A298 F299 N417P294-N296 PolarHBondContact O-N 3.41Å; N296-A298 PolarHBondContact O-N 2.88Å; N296-A298 VanDerWaalsContact O-N 3.14Å; N296-A298 VanDerWaalsContact OD1-CB 3.27Å; N296-A298 WeakPolarHBondContact OD1-CB 3.48Å; N296-A298 PolarHBondContact OD1-N 3.47Å; N296-F299 HydrophobicContact CB-CD2 4.03Å; N296-F299 HydrophobicContact CB-CE2 4.26Å; N296-F299 VanDerWaalsContact ND2-CE2 3.26Å; N296-F299 WeakPolarHBondContact ND2-CE2 3.36Å; N296-F299 PolarHBondContact O-N 2.93Å; N296-N417 PolarHBondContact O-ND2 3.05Å
297R65.1Low62.1Low214 Ų21483.4 Ų83.481%0.80847%0.471SS*.G310 helixtrans-61.4-18.1-178.8-65-173.9179.8-166.8-0.2113.5L295 F299 G300L295-R297 VanDerWaalsContact C-N 3.28Å; L295-R297 PolarHBondContact O-N 3.49Å; R297-F299 PolarHBondContact O-N 2.82Å; R297-G300 PolarHBondContact O-N 3.41Å
298A65.5Low64.9Low88 Ų8881 Ų8173%0.72746%0.455SS*.G310 helixtrans-62.2-27.1-177.800000113.3N296N296-A298 PolarHBondContact O-N 2.88Å; N296-A298 VanDerWaalsContact O-N 3.14Å; N296-A298 VanDerWaalsContact OD1-CB 3.27Å; N296-A298 WeakPolarHBondContact OD1-CB 3.48Å; N296-A298 PolarHBondContact OD1-N 3.47Å
299F70Confident67.9Low64 Ų6472.8 Ų72.828%0.28142%0.423SS..G310 helixtrans-84.8-8.8180-61.3-64.1000114.4N296 R297 E410 S413 I414N296-F299 HydrophobicContact CB-CD2 4.03Å; N296-F299 HydrophobicContact CB-CE2 4.26Å; N296-F299 VanDerWaalsContact ND2-CE2 3.26Å; N296-F299 WeakPolarHBondContact ND2-CE2 3.36Å; N296-F299 PolarHBondContact O-N 2.93Å; R297-F299 PolarHBondContact O-N 2.82Å; F299-E410 HydrophobicContact CD1-CB 4.5Å; F299-E410 HydrophobicContact CD1-CG 3.71Å; F299-E410 HydrophobicContact CE1-CG 3.5Å; F299-E410 VanDerWaalsContact CE1-CG 3.5Å; F299-E410 HydrophobicContact CZ-CG 4.17Å; F299-S413 WeakPolarHBondContact CD2-OG 3.17Å; F299-I414 HydrophobicContact CB-CD1 4.09Å; F299-I414 HydrophobicContact CB-CG1 3.71Å; F299-I414 VanDerWaalsContact O-CD1 3.31Å; F299-I414 WeakPolarHBondContact O-CD1 3.44Å; F299-I414 VanDerWaalsContact O-CG1 3.29Å; F299-I414 WeakPolarHBondContact O-CG1 3.35Å
300G83Confident70.4Confident31 Ų3172.8 Ų72.832%0.3241%0.411SS..  trans69.2-160.6-179.200000114.4R297 N417R297-G300 PolarHBondContact O-N 3.41Å; G300-N417 VanDerWaalsContact O-CB 3.27Å; G300-N417 WeakPolarHBondContact O-CB 3.44Å; G300-N417 PolarHBondContact O-ND2 2.89Å
301T84.6Confident72.8Confident41 Ų4168.5 Ų68.525%0.25238%0.375SS..SBendtrans-127.12-172.160.60000114.5I326 N417 A418 E421T301-I326 WeakPolarHBondContact O-CG2 3.29Å; T301-N417 HydrophobicContact CG2-CB 3.85Å; T301-A418 WeakPolarHBondContact O-CB 3.41Å; T301-E421 WeakPolarHBondContact CB-OE2 3.3Å; T301-E421 HydrophobicContact CG2-CB 4.14Å; T301-E421 HydrophobicContact CG2-CG 4.48Å; T301-E421 WeakPolarHBondContact CG2-OE2 3.44Å; T301-E421 PolarHBondContact OG1-OE2 3.41Å
302K88.7Confident74.3Confident118 Ų11867.7 Ų67.751%0.51337%0.374SS..  trans-126.9134.3176.6-55.1-165.4-171.5-167.70110.6I326 A327 D328K302-I326 VanDerWaalsContact CA-O 3.3Å; K302-I326 WeakPolarHBondContact CA-O 3.28Å; K302-A327 HydrophobicContact CD-CB 4.08Å; K302-D328 WeakPolarHBondContact CE-OD1 3.31Å; K302-D328 IonicContact NZ-OD1 3.61Å; K302-D328 PolarHBondContact NZ-OD1 3.49Å
303K90.7Very high75.3Confident32 Ų3264.9 Ų64.914%0.13936%0.362CS..EExtended strand (participates in β ladder)trans-138.7152.2174-154.2-174.1179.968.20110.2H325 I326 E410 W411 I414K303-H325 WeakPolarHBondContact O-CA 3.42Å; K303-H325 PolarHBondContact O-ND1 3.28Å; K303-I326 PolarHBondContact N-O 3.37Å; K303-I326 PolarHBondContact O-N 3.37Å; K303-E410 IonicContact NZ-OE2 2.74Å; K303-E410 PolarHBondContact NZ-OE2 3.15Å; K303-W411 HydrophobicContact CB-CH2 4.3Å; K303-W411 HydrophobicContact CB-CZ3 4.09Å; K303-W411 HydrophobicContact CD-CD2 3.55Å; K303-W411 HydrophobicContact CD-CE3 3.67Å; K303-W411 HydrophobicContact CD-CG 4.17Å; K303-W411 HydrophobicContact CD-CH2 3.87Å; K303-W411 HydrophobicContact CD-CZ2 3.77Å; K303-W411 HydrophobicContact CD-CZ3 3.83Å; K303-W411 HydrophobicContact CG-CH2 4.3Å; K303-W411 HydrophobicContact CG-CZ2 4.48Å; K303-W411 HydrophobicContact CG-CZ3 4.4Å; K303-I414 HydrophobicContact CB-CD1 3.96Å; K303-I414 HydrophobicContact CB-CG2 4.11Å; K303-I414 HydrophobicContact CD-CD1 3.92Å; K303-I414 HydrophobicContact CG-CD1 3.97Å
304S90.9Very high75.8Confident75 Ų7566.7 Ų66.752%0.52436%0.364SS..EExtended strand (participates in β ladder)trans-134.3130.6162.8179.60000107.3
305G91.2Very high76.2Confident15 Ų1566.1 Ų66.116%0.15536%0.358CS..EExtended strand (participates in β ladder)trans-172-159.5-174.900000112R323 V324G305-R323 WeakPolarHBondContact O-CA 3.33Å; G305-V324 PolarHBondContact N-O 3.38Å; G305-V324 PolarHBondContact O-N 3.22Å
306F91.9Very high76.5Confident85 Ų8570.3 Ų70.337%0.37337%0.373SS..EExtended strand (participates in β ladder)trans-127.2127.1-179.5-69.4-89000110.2R321 R322 R323F306-R321 HydrophobicContact CB-CG 3.91Å; F306-R321 HydrophobicContact CD1-CG 4.04Å; F306-R321 HydrophobicContact CG-CG 4.31Å; F306-R322 WeakPolarHBondContact CA-O 3.32Å; F306-R323 HydrophobicContact CD1-CB 4.16Å; F306-R323 HydrophobicContact CE1-CB 3.91Å
307L92.1Very high77Confident1 Ų176 Ų761%0.00539%0.39CS..EExtended strand (participates in β ladder)trans-114.7145.5170.7-76.4166.8000109.9K309 R322 V324 F389 F400 Q401 A402 W411L307-K309 PolarHBondContact O-N 3.1Å; L307-R322 PolarHBondContact N-O 2.99Å; L307-R322 PolarHBondContact O-N 3.18Å; L307-V324 HydrophobicContact CB-CG2 4.11Å; L307-V324 HydrophobicContact CD1-CB 4.33Å; L307-V324 HydrophobicContact CD1-CG1 4.34Å; L307-V324 HydrophobicContact CD1-CG2 4.18Å; L307-F389 HydrophobicContact CD1-CE1 4.46Å; L307-F389 HydrophobicContact CD1-CZ 3.8Å; L307-F389 HydrophobicContact CD2-CE1 4.09Å; L307-F389 HydrophobicContact CD2-CZ 4.25Å; L307-F400 HydrophobicContact CB-CB 4.41Å; L307-F400 HydrophobicContact CB-CD1 3.67Å; L307-F400 HydrophobicContact CB-CE1 4.3Å; L307-F400 HydrophobicContact CB-CG 4.36Å; L307-F400 HydrophobicContact CD1-CB 4.19Å; L307-F400 HydrophobicContact CD1-CD1 3.94Å; L307-F400 HydrophobicContact CD1-CE1 4.42Å; L307-F400 HydrophobicContact CD1-CG 4.02Å; L307-F400 HydrophobicContact CD2-CB 4.47Å; L307-F400 HydrophobicContact CG-CD1 4.42Å; L307-Q401 WeakPolarHBondContact CD2-O 3.49Å; L307-A402 HydrophobicContact CD2-CB 4.37Å; L307-W411 HydrophobicContact CD1-CD2 3.77Å; L307-W411 HydrophobicContact CD1-CE3 3.98Å; L307-W411 HydrophobicContact CD1-CG 4.27Å; L307-W411 HydrophobicContact CD1-CH2 4.3Å; L307-W411 HydrophobicContact CD1-CZ2 4.08Å; L307-W411 HydrophobicContact CD1-CZ3 4.24Å; L307-W411 HydrophobicContact CD2-CD2 4.19Å; L307-W411 HydrophobicContact CD2-CG 3.98Å; L307-W411 HydrophobicContact CG-CD2 4.06Å; L307-W411 HydrophobicContact CG-CG 4.39Å; L307-W411 HydrophobicContact CG-CZ2 3.94Å
308L89.8Confident77.6Confident39 Ų3968.7 Ų68.720%0.20437%0.368CS..EExtended strand (participates in β ladder)trans-75.8101.4169-72154.9000107.9W319 R321 F400 Q401L308-W319 HydrophobicContact CB-CB 4.29Å; L308-W319 HydrophobicContact CB-CE3 4.21Å; L308-W319 HydrophobicContact CD2-CB 4.15Å; L308-W319 VanDerWaalsContact O-CZ3 3.26Å; L308-W319 WeakPolarHBondContact O-CZ3 3.5Å; L308-R321 HydrophobicContact CD2-CB 4.45Å; L308-F400 CarbonylContact O-C 3.48Å; L308-F400 WeakPolarHBondContact O-CA 3.39Å; L308-Q401 HydrophobicContact CB-CB 3.96Å; L308-Q401 HydrophobicContact CB-CG 4.46Å; L308-Q401 WeakPolarHBondContact CB-O 3.31Å; L308-Q401 HydrophobicContact CD1-CB 4.49Å; L308-Q401 HydrophobicContact CD1-CG 4.08Å; L308-Q401 PolarHBondContact N-O 3.36Å; L308-Q401 PolarHBondContact O-N 3Å
309K90.5Very high78.5Confident16 Ų1668.6 Ų68.67%0.0735%0.349CS..EExtended strand (participates in β ladder)trans-87.9130.6173.7-167.8-151.3176.4-74.80110.3L307 D312 Q320 R322 L333 Y398 F400L307-K309 PolarHBondContact O-N 3.1Å; K309-D312 IonicContact NZ-OD1 3.98Å; K309-D312 PolarHBondContact NZ-OD1 3.33Å; K309-Q320 PolarHBondContact N-O 2.71Å; K309-Q320 PolarHBondContact O-N 3.02Å; K309-R322 HydrophobicContact CB-CB 4.48Å; K309-R322 HydrophobicContact CB-CG 3.88Å; K309-L333 HydrophobicContact CD-CD2 4.09Å; K309-Y398 HydrophobicContact CD-CD1 4.47Å; K309-F400 HydrophobicContact CB-CD1 4.11Å; K309-F400 HydrophobicContact CB-CE1 4.01Å; K309-F400 HydrophobicContact CG-CD1 4.27Å; K309-F400 HydrophobicContact CG-CE1 3.99Å
310K86.7Confident79.2Confident62 Ų6269.1 Ų69.127%0.2735%0.352SS..EExtended strand (participates in β ladder)trans-66.1136.3171.9-145.9168.3-161160.40111.2R317 W319 N399K310-R317 HydrophobicContact CG-CB 4.41Å; K310-W319 HydrophobicContact CB-CD2 4.49Å; K310-W319 HydrophobicContact CB-CE3 3.82Å; K310-W319 HydrophobicContact CB-CH2 4.26Å; K310-W319 HydrophobicContact CB-CZ3 3.7Å; K310-W319 HydrophobicContact CD-CH2 4.05Å; K310-W319 HydrophobicContact CD-CZ2 4.19Å; K310-W319 HydrophobicContact CD-CZ3 4.33Å; K310-W319 HydrophobicContact CG-CD2 4.38Å; K310-W319 HydrophobicContact CG-CE3 4.18Å; K310-W319 HydrophobicContact CG-CH2 4.37Å; K310-W319 HydrophobicContact CG-CZ3 4.19Å; K310-N399 HydrophobicContact CB-CB 3.95Å; K310-N399 HydrophobicContact CD-CB 3.92Å; K310-N399 WeakPolarHBondContact CD-OD1 3.18Å; K310-N399 PolarHBondContact N-O 3.32Å; K310-N399 VanDerWaalsContact N-O 3.1Å
311S81Confident79.6Confident18 Ų1873.2 Ų73.213%0.12636%0.358CS..PPolyproline II helixtrans-87.1131176.867.40000113G313 K316 V318S311-G313 PolarHBondContact O-N 2.97Å; S311-K316 PolarHBondContact OG-O 3.43Å; S311-V318 PolarHBondContact N-O 3.38Å; S311-V318 PolarHBondContact OG-N 3.3Å; S311-V318 PolarHBondContact OG-O 2.67Å
312D66.2Low79.9Confident96 Ų9673.5 Ų73.551%0.51336%0.355SS..  trans-7524.3-179.5-45.752.6000113.6K309 K314 R396K309-D312 IonicContact NZ-OD1 3.98Å; K309-D312 PolarHBondContact NZ-OD1 3.33Å; D312-K314 PolarHBondContact O-N 3.24Å; D312-R396 IonicContact OD1-CZ 3.86Å; D312-R396 IonicContact OD1-NH2 2.84Å; D312-R396 PolarHBondContact OD1-NH2 2.88Å; D312-R396 IonicContact OD2-CZ 3.91Å; D312-R396 IonicContact OD2-NE 3.33Å; D312-R396 PolarHBondContact OD2-NE 3.04Å; D312-R396 IonicContact OD2-NH2 3.1Å; D312-R396 PolarHBondContact OD2-NH2 2.76Å
313G57Low80.1Confident35 Ų3572.1 Ų72.136%0.36135%0.346SS..  trans-77.2118.3179.700000111.2S311 V315 K316S311-G313 PolarHBondContact O-N 2.97Å; G313-V315 PolarHBondContact O-N 3.25Å; G313-K316 CarbonylContact O-C 3.58Å; G313-K316 PolarHBondContact O-N 2.78Å
314K54.5Low80.2Confident107 Ų10770.6 Ų70.647%0.46534%0.34SS..THydrogen-bonded Turntrans-44.6-41.6177.4-65.3-175.8-179.1-178.90113.5I85 E88 D312I85-K314 PolarHBondContact O-NZ 3.49Å; E88-K314 HydrophobicContact CB-CD 3.88Å; E88-K314 IonicContact OE2-NZ 2.72Å; E88-K314 PolarHBondContact OE2-NZ 3.46Å; D312-K314 PolarHBondContact O-N 3.24Å
315V55.4Low80.3Confident109 Ų10969.8 Ų69.866%0.66133%0.328SS*.THydrogen-bonded Turntrans-89.5-26.1-170.3-170.80000113G313G313-V315 PolarHBondContact O-N 3.25Å
316K54.1Low80.3Confident158 Ų15869.1 Ų69.169%0.68732%0.32SS*.  trans-156.1112.4177.2-155.7176.1-176.7174.50111.6S311 G313 V318S311-K316 PolarHBondContact OG-O 3.43Å; G313-K316 CarbonylContact O-C 3.58Å; G313-K316 PolarHBondContact O-N 2.78Å; K316-V318 HydrophobicContact CB-CG2 4.22Å; K316-V318 HydrophobicContact CD-CG2 3.84Å; K316-V318 HydrophobicContact CG-CG2 3.7Å; K316-V318 PolarHBondContact O-N 2.97Å
317R67Low80.1Confident193 Ų19365.8 Ų65.873%0.72831%0.308SS*.  trans-79.1109.1167.4-63.7177.7-174.1156.32.1108.1K310K310-R317 HydrophobicContact CG-CB 4.41Å
318V77.8Confident79.7Confident59 Ų5971.5 Ų71.536%0.35834%0.339SS..  trans-115.9135.1179.9-178.10000108.2S311 K316 Q320S311-V318 PolarHBondContact N-O 3.38Å; S311-V318 PolarHBondContact OG-N 3.3Å; S311-V318 PolarHBondContact OG-O 2.67Å; K316-V318 HydrophobicContact CB-CG2 4.22Å; K316-V318 HydrophobicContact CD-CG2 3.84Å; K316-V318 HydrophobicContact CG-CG2 3.7Å; K316-V318 PolarHBondContact O-N 2.97Å; V318-Q320 HydrophobicContact CG1-CG 4.33Å; V318-Q320 PolarHBondContact O-N 3.01Å
319W84.5Confident79.3Confident86 Ų8669.9 Ų69.933%0.32633%0.332SS..EExtended strand (participates in β ladder)trans-72.6121.2167.8-67.9118.7000109.2L308 K310 N399 Q401L308-W319 HydrophobicContact CB-CB 4.29Å; L308-W319 HydrophobicContact CB-CE3 4.21Å; L308-W319 HydrophobicContact CD2-CB 4.15Å; L308-W319 VanDerWaalsContact O-CZ3 3.26Å; L308-W319 WeakPolarHBondContact O-CZ3 3.5Å; K310-W319 HydrophobicContact CB-CD2 4.49Å; K310-W319 HydrophobicContact CB-CE3 3.82Å; K310-W319 HydrophobicContact CB-CH2 4.26Å; K310-W319 HydrophobicContact CB-CZ3 3.7Å; K310-W319 HydrophobicContact CD-CH2 4.05Å; K310-W319 HydrophobicContact CD-CZ2 4.19Å; K310-W319 HydrophobicContact CD-CZ3 4.33Å; K310-W319 HydrophobicContact CG-CD2 4.38Å; K310-W319 HydrophobicContact CG-CE3 4.18Å; K310-W319 HydrophobicContact CG-CH2 4.37Å; K310-W319 HydrophobicContact CG-CZ3 4.19Å; W319-N399 HydrophobicContact CH2-CB 4.23Å; W319-N399 HydrophobicContact CZ3-CB 4.36Å; W319-Q401 VanDerWaalsContact CE2-OE1 3.29Å; W319-Q401 HydrophobicContact CE3-CB 4.18Å; W319-Q401 HydrophobicContact CH2-CB 3.93Å; W319-Q401 HydrophobicContact CZ2-CB 4.28Å; W319-Q401 HydrophobicContact CZ3-CB 3.88Å
320Q86.4Confident79.3Confident75 Ų7571.1 Ų71.135%0.3534%0.338SS..EExtended strand (participates in β ladder)trans-119.5120.4-177.5-62.3-176.4-2500108.9K309 V318 R322K309-Q320 PolarHBondContact N-O 2.71Å; K309-Q320 PolarHBondContact O-N 3.02Å; V318-Q320 HydrophobicContact CG1-CG 4.33Å; V318-Q320 PolarHBondContact O-N 3.01Å; Q320-R322 VanDerWaalsContact CD-NH2 3.34Å; Q320-R322 WeakPolarHBondContact O-CG 3.3Å; Q320-R322 PolarHBondContact O-N 2.91Å
321R91.5Very high79.5Confident118 Ų11868.2 Ų68.245%0.44533%0.325SS..EExtended strand (participates in β ladder)trans-59.6125.2174.5-157-178.8-158.1-121.76.5109.6F306 L308 E403F306-R321 HydrophobicContact CB-CG 3.91Å; F306-R321 HydrophobicContact CD1-CG 4.04Å; F306-R321 HydrophobicContact CG-CG 4.31Å; L308-R321 HydrophobicContact CD2-CB 4.45Å; R321-E403 IonicContact CZ-OE1 3.77Å; R321-E403 IonicContact CZ-OE2 2.79Å; R321-E403 IonicContact NE-OE1 3.92Å; R321-E403 PolarHBondContact NE-OE1 3.34Å; R321-E403 IonicContact NH2-OE1 3.28Å; R321-E403 PolarHBondContact NH2-OE1 3.23Å; R321-E403 IonicContact NH2-OE2 2.87Å; R321-E403 PolarHBondContact NH2-OE2 3.49Å
322R91Very high80Confident47 Ų4768.5 Ų68.518%0.17733%0.327CS..EExtended strand (participates in β ladder)trans-131.5135.7179.5-65.3-72.5162.4-108.97.4108.6F306 L307 K309 Q320 V324 L333 Y334F306-R322 WeakPolarHBondContact CA-O 3.32Å; L307-R322 PolarHBondContact N-O 2.99Å; L307-R322 PolarHBondContact O-N 3.18Å; K309-R322 HydrophobicContact CB-CB 4.48Å; K309-R322 HydrophobicContact CB-CG 3.88Å; Q320-R322 VanDerWaalsContact CD-NH2 3.34Å; Q320-R322 WeakPolarHBondContact O-CG 3.3Å; Q320-R322 PolarHBondContact O-N 2.91Å; R322-V324 PolarHBondContact O-N 3.07Å; R322-L333 HydrophobicContact CB-CD1 3.69Å; R322-L333 HydrophobicContact CG-CD1 4.15Å; R322-Y334 VanDerWaalsContact CD-O 3.28Å; R322-Y334 WeakPolarHBondContact CD-O 3.33Å
323R92.6Very high81.2Confident88 Ų8864.4 Ų64.433%0.33231%0.305SS..EExtended strand (participates in β ladder)trans-67.1128.5168.5174.8-179.5168.1-176.9-2.9108.3G305 F306 Y334 E338G305-R323 WeakPolarHBondContact O-CA 3.33Å; F306-R323 HydrophobicContact CD1-CB 4.16Å; F306-R323 HydrophobicContact CE1-CB 3.91Å; R323-Y334 HydrophobicContact CB-CD2 4.11Å; R323-Y334 HydrophobicContact CB-CG 4.32Å; R323-Y334 HydrophobicContact CG-CD2 3.75Å; R323-Y334 HydrophobicContact CG-CE2 4.18Å; R323-Y334 HydrophobicContact CG-CG 4.31Å; R323-Y334 PolarHBondContact O-N 3.35Å; R323-E338 IonicContact NH1-OE1 2.76Å
324V92.6Very high82.8Confident0 Ų065 Ų650%030%0.297CS..EExtended strand (participates in β ladder)trans-124.8136.6177.3177.40000108.1G305 L307 R322 L331 C332 L333 F400 W411G305-V324 PolarHBondContact N-O 3.38Å; G305-V324 PolarHBondContact O-N 3.22Å; L307-V324 HydrophobicContact CB-CG2 4.11Å; L307-V324 HydrophobicContact CD1-CB 4.33Å; L307-V324 HydrophobicContact CD1-CG1 4.34Å; L307-V324 HydrophobicContact CD1-CG2 4.18Å; R322-V324 PolarHBondContact O-N 3.07Å; V324-L331 HydrophobicContact CG1-CD1 3.86Å; V324-L331 HydrophobicContact CG1-CD2 3.89Å; V324-L331 HydrophobicContact CG1-CG 3.77Å; V324-C332 WeakPolarHBondContact CA-O 3.29Å; V324-L333 HydrophobicContact CG2-CD1 3.82Å; V324-F400 HydrophobicContact CG2-CE1 4.1Å; V324-W411 HydrophobicContact CB-CH2 3.77Å; V324-W411 HydrophobicContact CB-CZ2 4.38Å; V324-W411 HydrophobicContact CB-CZ3 4.36Å; V324-W411 HydrophobicContact CG1-CH2 3.74Å; V324-W411 HydrophobicContact CG1-CZ3 3.83Å
325H92.5Very high84.3Confident59 Ų5963.9 Ų63.927%0.27329%0.293SS..EExtended strand (participates in β ladder)trans-132.6129.3176.7179.435.8000109.5K303 L331 C332 Y334K303-H325 WeakPolarHBondContact O-CA 3.42Å; K303-H325 PolarHBondContact O-ND1 3.28Å; H325-L331 CarbonylContact O-C 3.6Å; H325-L331 WeakPolarHBondContact O-CA 3.47Å; H325-C332 HydrophobicContact CB-CB 4.32Å; H325-C332 PolarHBondContact N-O 2.79Å; H325-C332 PolarHBondContact O-N 2.75Å; H325-Y334 HydrophobicContact CB-CE2 4.4Å
326I91.8Very high85.6Confident1 Ų162.5 Ų62.51%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-109.4119.8172.2-66.9170.4000107.5T301 K302 K303 L331 L347 W411 I414 L415 A418T301-I326 WeakPolarHBondContact O-CG2 3.29Å; K302-I326 VanDerWaalsContact CA-O 3.3Å; K302-I326 WeakPolarHBondContact CA-O 3.28Å; K303-I326 PolarHBondContact N-O 3.37Å; K303-I326 PolarHBondContact O-N 3.37Å; I326-L331 HydrophobicContact CD1-CD1 4.17Å; I326-L331 HydrophobicContact CG1-CB 4.33Å; I326-L331 HydrophobicContact CG1-CD1 3.94Å; I326-L331 HydrophobicContact CG1-CG 4.11Å; I326-L347 HydrophobicContact CG2-CD1 4Å; I326-W411 HydrophobicContact CD1-CE3 3.98Å; I326-W411 HydrophobicContact CD1-CZ3 3.71Å; I326-W411 HydrophobicContact CG1-CZ3 4.17Å; I326-I414 HydrophobicContact CD1-CG2 4.46Å; I326-L415 HydrophobicContact CD1-CD2 3.53Å; I326-L415 HydrophobicContact CD1-CG 3.72Å; I326-A418 HydrophobicContact CG2-CB 3.87Å
327A86.7Confident87Confident14 Ų1458 Ų5812%0.11628%0.276CS..EExtended strand (participates in β ladder)trans-161.2155172.200000110.1K302 G329 E330K302-A327 HydrophobicContact CD-CB 4.08Å; A327-G329 PolarHBondContact O-N 3.24Å; A327-E330 PolarHBondContact N-O 3.47Å; A327-E330 VanDerWaalsContact N-O 3.14Å; A327-E330 PolarHBondContact O-N 2.73Å
328D83.7Confident87.4Confident121 Ų12155.1 Ų55.165%0.64727%0.271SS*.THydrogen-bonded Turntrans52.239.6162.3-47.8-29.8000114.1K302 E330K302-D328 WeakPolarHBondContact CE-OD1 3.31Å; K302-D328 IonicContact NZ-OD1 3.61Å; K302-D328 PolarHBondContact NZ-OD1 3.49Å; D328-E330 VanDerWaalsContact C-N 3.34Å; D328-E330 PolarHBondContact O-N 3.14Å
329G81.4Confident87.6Confident6 Ų657.1 Ų57.16%0.06229%0.288CS..THydrogen-bonded Turntrans78.85.8178.400000117A327 L347 E422A327-G329 PolarHBondContact O-N 3.24Å; G329-L347 WeakPolarHBondContact O-CB 3.37Å; G329-L347 PolarHBondContact O-N 3.21Å; G329-E422 VanDerWaalsContact CA-OE1 3.32Å; G329-E422 WeakPolarHBondContact CA-OE1 3.5Å; G329-E422 PolarHBondContact N-OE1 3.37Å
330E90.2Very high87.3Confident42 Ų4258 Ų5820%0.19629%0.294CS..EExtended strand (participates in β ladder)trans-128.1149.3-177.7-65-177.2163.700113.2A327 D328 R344 L345A327-E330 PolarHBondContact N-O 3.47Å; A327-E330 VanDerWaalsContact N-O 3.14Å; A327-E330 PolarHBondContact O-N 2.73Å; D328-E330 VanDerWaalsContact C-N 3.34Å; D328-E330 PolarHBondContact O-N 3.14Å; E330-R344 IonicContact OE1-CZ 2.67Å; E330-R344 IonicContact OE1-NE 3.16Å; E330-R344 IonicContact OE1-NH2 2.8Å; E330-R344 PolarHBondContact OE1-NH2 2.99Å; E330-R344 IonicContact OE2-CZ 3.41Å; E330-R344 IonicContact OE2-NE 2.68Å; E330-R344 PolarHBondContact OE2-NE 3.48Å; E330-R344 IonicContact OE2-NH2 2.7Å; E330-R344 PolarHBondContact OE2-NH2 3.05Å; E330-L345 CarbonylContact C-O 3.4Å; E330-L345 VanDerWaalsContact CA-O 3.3Å; E330-L345 WeakPolarHBondContact CA-O 3.24Å
331L91.6Very high87.1Confident1 Ų159.5 Ų59.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-100114.7162-174.1150.7000109.1V324 H325 I326 L333 L345 L347 L391 L415V324-L331 HydrophobicContact CG1-CD1 3.86Å; V324-L331 HydrophobicContact CG1-CD2 3.89Å; V324-L331 HydrophobicContact CG1-CG 3.77Å; H325-L331 CarbonylContact O-C 3.6Å; H325-L331 WeakPolarHBondContact O-CA 3.47Å; I326-L331 HydrophobicContact CD1-CD1 4.17Å; I326-L331 HydrophobicContact CG1-CB 4.33Å; I326-L331 HydrophobicContact CG1-CD1 3.94Å; I326-L331 HydrophobicContact CG1-CG 4.11Å; L331-L333 HydrophobicContact CD2-CB 4.04Å; L331-L345 HydrophobicContact CB-CB 4.43Å; L331-L345 HydrophobicContact CD2-CD1 4.41Å; L331-L345 PolarHBondContact N-O 2.81Å; L331-L345 PolarHBondContact O-N 3.49Å; L331-L347 HydrophobicContact CB-CD2 4.11Å; L331-L391 HydrophobicContact CD1-CD2 3.88Å; L331-L415 HydrophobicContact CD1-CD2 4Å
332C91.7Very high86.9Confident23 Ų2355.8 Ų55.816%0.15530%0.302CS..EExtended strand (participates in β ladder)trans-92.2111.4172.1-73.10000110.3V324 H325 Y334 P342V324-C332 WeakPolarHBondContact CA-O 3.29Å; H325-C332 HydrophobicContact CB-CB 4.32Å; H325-C332 PolarHBondContact N-O 2.79Å; H325-C332 PolarHBondContact O-N 2.75Å; C332-Y334 HydrophobicContact CB-CE2 4.32Å; C332-P342 HydrophobicContact CB-CB 4.39Å
333L92.1Very high86.8Confident10 Ų1055.6 Ų55.65%0.05231%0.305CS..EExtended strand (participates in β ladder)trans-102.6112.9175.7170.169.5000109.8K309 R322 V324 L331 P342 V343 Y398 F400K309-L333 HydrophobicContact CD-CD2 4.09Å; R322-L333 HydrophobicContact CB-CD1 3.69Å; R322-L333 HydrophobicContact CG-CD1 4.15Å; V324-L333 HydrophobicContact CG2-CD1 3.82Å; L331-L333 HydrophobicContact CD2-CB 4.04Å; L333-P342 WeakPolarHBondContact O-CA 3.33Å; L333-V343 HydrophobicContact CB-CB 4.31Å; L333-V343 PolarHBondContact N-O 3.46Å; L333-V343 PolarHBondContact O-N 2.79Å; L333-Y398 HydrophobicContact CD2-CD1 3.77Å; L333-Y398 HydrophobicContact CD2-CE1 3.58Å; L333-F400 HydrophobicContact CD1-CE1 4.17Å; L333-F400 HydrophobicContact CD1-CZ 4.45Å
334Y90.3Very high86.6Confident49 Ų4959.1 Ų59.119%0.19232%0.319CS..  trans-79.2148.4-179.3-69.9-101.3000112.2R322 R323 H325 C332 P342R322-Y334 VanDerWaalsContact CD-O 3.28Å; R322-Y334 WeakPolarHBondContact CD-O 3.33Å; R323-Y334 HydrophobicContact CB-CD2 4.11Å; R323-Y334 HydrophobicContact CB-CG 4.32Å; R323-Y334 HydrophobicContact CG-CD2 3.75Å; R323-Y334 HydrophobicContact CG-CE2 4.18Å; R323-Y334 HydrophobicContact CG-CG 4.31Å; R323-Y334 PolarHBondContact O-N 3.35Å; H325-Y334 HydrophobicContact CB-CE2 4.4Å; C332-Y334 HydrophobicContact CB-CE2 4.32Å; Y334-P342 HydrophobicContact CD1-CB 4.13Å; Y334-P342 HydrophobicContact CD2-CB 4.35Å; Y334-P342 HydrophobicContact CE1-CB 4.28Å; Y334-P342 HydrophobicContact CE1-CG 4.28Å; Y334-P342 HydrophobicContact CE2-CB 4.5Å; Y334-P342 HydrophobicContact CG-CB 4.17Å
335H85.9Confident86.4Confident82 Ų8259.8 Ų59.838%0.3832%0.322SS..  trans-73.4172.5170.8-71.9-75.4000111.6D337 K340 P341H335-D337 PolarHBondContact O-N 3.47Å; H335-K340 HydrophobicContact CB-CB 4.3Å; H335-P341 PolarHBondContact CD2-O 2.94Å; H335-P341 VanDerWaalsContact CD2-O 3.3Å
336A81.9Confident86.2Confident80 Ų8060.3 Ų60.366%0.66133%0.33SS*.SBendtrans-68.7-10.7170.600000113.8
337D83.2Confident85.9Confident64 Ų6460.4 Ų60.434%0.34233%0.33SS..SBendtrans-128103.7-175.7166.39.6000105.7H335 S339 K340H335-D337 PolarHBondContact O-N 3.47Å; D337-S339 VanDerWaalsContact CG-OG 3.25Å; D337-S339 PolarHBondContact O-N 2.96Å; D337-S339 VanDerWaalsContact O-N 3.17Å; D337-S339 WeakPolarHBondContact OD1-CB 3.39Å; D337-S339 PolarHBondContact OD1-N 2.9Å; D337-S339 VanDerWaalsContact OD1-N 3.14Å; D337-S339 PolarHBondContact OD1-OG 3.02Å; D337-S339 PolarHBondContact OD2-OG 2.78Å; D337-K340 PolarHBondContact O-N 3.12Å; D337-K340 VanDerWaalsContact O-N 3.14Å; D337-K340 IonicContact OD2-NZ 2.72Å; D337-K340 PolarHBondContact OD2-NZ 3.28Å
338E77Confident85.7Confident132 Ų13264.1 Ų64.162%0.61735%0.348SS*.THydrogen-bonded Turntrans-70.9-4.3-173.6-63.3-165.7137.800113.2R323 K340R323-E338 IonicContact NH1-OE1 2.76Å; E338-K340 PolarHBondContact O-N 2.83Å
339S80.8Confident85.6Confident101 Ų10161 Ų6171%0.70633%0.333SS*.THydrogen-bonded Turntrans-71.7-15.4168.573.70000113.3D337D337-S339 VanDerWaalsContact CG-OG 3.25Å; D337-S339 PolarHBondContact O-N 2.96Å; D337-S339 VanDerWaalsContact O-N 3.17Å; D337-S339 WeakPolarHBondContact OD1-CB 3.39Å; D337-S339 PolarHBondContact OD1-N 2.9Å; D337-S339 VanDerWaalsContact OD1-N 3.14Å; D337-S339 PolarHBondContact OD1-OG 3.02Å; D337-S339 PolarHBondContact OD2-OG 2.78Å
340K79.5Confident85.8Confident104 Ų10461.2 Ų61.245%0.45233%0.333SS..SBendtrans-93.9135.4178.7-64.8-174.9170.877.80110.8H335 D337 E338H335-K340 HydrophobicContact CB-CB 4.3Å; D337-K340 PolarHBondContact O-N 3.12Å; D337-K340 VanDerWaalsContact O-N 3.14Å; D337-K340 IonicContact OD2-NZ 2.72Å; D337-K340 PolarHBondContact OD2-NZ 3.28Å; E338-K340 PolarHBondContact O-N 2.83Å
341P81.4Confident85.6Confident108 Ų10865.9 Ų65.970%0.70136%0.355SS*.PPolyproline II helixtrans-59.5141.3178.826-34.7000110.9H335H335-P341 PolarHBondContact CD2-O 2.94Å; H335-P341 VanDerWaalsContact CD2-O 3.3Å
342P87.2Confident85.3Confident40 Ų4067.3 Ų67.326%0.2636%0.364SS..PPolyproline II helixtrans-67.3151.9-178.228.5-35.2000111.8C332 L333 Y334 R344C332-P342 HydrophobicContact CB-CB 4.39Å; L333-P342 WeakPolarHBondContact O-CA 3.33Å; Y334-P342 HydrophobicContact CD1-CB 4.13Å; Y334-P342 HydrophobicContact CD2-CB 4.35Å; Y334-P342 HydrophobicContact CE1-CB 4.28Å; Y334-P342 HydrophobicContact CE1-CG 4.28Å; Y334-P342 HydrophobicContact CE2-CB 4.5Å; Y334-P342 HydrophobicContact CG-CB 4.17Å; P342-R344 PolarHBondContact O-N 2.94Å
343V88.2Confident84.9Confident42 Ų4271.8 Ų71.826%0.25538%0.381SS..EExtended strand (participates in β ladder)trans-74116.2170.6179.60000108.1L333 L345L333-V343 HydrophobicContact CB-CB 4.31Å; L333-V343 PolarHBondContact N-O 3.46Å; L333-V343 PolarHBondContact O-N 2.79Å; V343-L345 HydrophobicContact CG1-CD2 4.36Å
344R89.2Confident84.3Confident163 Ų16374.7 Ų74.762%0.61540%0.396SS*.EExtended strand (participates in β ladder)trans-94.9130.1178.3-60.5169.268.6-167-2.5109.5E330 P342E330-R344 IonicContact OE1-CZ 2.67Å; E330-R344 IonicContact OE1-NE 3.16Å; E330-R344 IonicContact OE1-NH2 2.8Å; E330-R344 PolarHBondContact OE1-NH2 2.99Å; E330-R344 IonicContact OE2-CZ 3.41Å; E330-R344 IonicContact OE2-NE 2.68Å; E330-R344 PolarHBondContact OE2-NE 3.48Å; E330-R344 IonicContact OE2-NH2 2.7Å; E330-R344 PolarHBondContact OE2-NH2 3.05Å; P342-R344 PolarHBondContact O-N 2.94Å
345L87.9Confident82.9Confident14 Ų1474 Ų747%0.07340%0.397CS..EExtended strand (participates in β ladder)trans-123.2120.9175.6-62.2179.5000109.8E330 L331 V343 L347 L391 Y398E330-L345 CarbonylContact C-O 3.4Å; E330-L345 VanDerWaalsContact CA-O 3.3Å; E330-L345 WeakPolarHBondContact CA-O 3.24Å; L331-L345 HydrophobicContact CB-CB 4.43Å; L331-L345 HydrophobicContact CD2-CD1 4.41Å; L331-L345 PolarHBondContact N-O 2.81Å; L331-L345 PolarHBondContact O-N 3.49Å; V343-L345 HydrophobicContact CG1-CD2 4.36Å; L345-L347 PolarHBondContact O-N 2.95Å; L345-L391 HydrophobicContact CD1-CD2 4.11Å; L345-Y398 HydrophobicContact CD1-CD1 4.48Å; L345-Y398 HydrophobicContact CD1-CD2 4Å; L345-Y398 HydrophobicContact CD1-CE1 4.27Å; L345-Y398 HydrophobicContact CD1-CE2 3.77Å; L345-Y398 HydrophobicContact CD1-CG 4.39Å; L345-Y398 HydrophobicContact CD2-CE2 4.15Å
346T88Confident81.2Confident70 Ų7073.2 Ų73.243%0.42940%0.399SS..EExtended strand (participates in β ladder)trans-73117.8177.7-48.60000110.3L348 T349 C350T346-L348 VanDerWaalsContact C-N 3.28Å; T346-L348 HydrophobicContact CG2-CB 4.27Å; T346-L348 PolarHBondContact O-N 3.35Å; T346-T349 PolarHBondContact O-N 3.05Å; T346-T349 PolarHBondContact O-OG1 3.38Å; T346-C350 PolarHBondContact O-SG 2.96Å; T346-C350 VanDerWaalsContact O-SG 3.34Å
347L87.1Confident79.4Confident3 Ų371.8 Ų71.82%0.01638%0.378CS..G310 helixtrans-63.9-31.1-171.8-72.2178.2000113.5I326 G329 L331 L345 T349 C350 L415 A418 M419 E422I326-L347 HydrophobicContact CG2-CD1 4Å; G329-L347 WeakPolarHBondContact O-CB 3.37Å; G329-L347 PolarHBondContact O-N 3.21Å; L331-L347 HydrophobicContact CB-CD2 4.11Å; L345-L347 PolarHBondContact O-N 2.95Å; L347-T349 PolarHBondContact O-N 3.31Å; L347-C350 PolarHBondContact O-N 2.86Å; L347-L415 HydrophobicContact CD2-CD2 4.2Å; L347-A418 HydrophobicContact CD1-CB 3.69Å; L347-M419 HydrophobicContact CB-CG 4.11Å; L347-M419 HydrophobicContact CD2-CG 4.26Å; L347-E422 HydrophobicContact CB-CG 4.39Å
348L82.1Confident76.9Confident92 Ų9272.1 Ų72.148%0.48239%0.385SS..G310 helixtrans-57.9-17.4172.4-167.867.3000113.8T346 A426T346-L348 VanDerWaalsContact C-N 3.28Å; T346-L348 HydrophobicContact CG2-CB 4.27Å; T346-L348 PolarHBondContact O-N 3.35Å; L348-A426 HydrophobicContact CD1-CB 3.82Å; L348-A426 HydrophobicContact CD2-CB 3.81Å
349T81.7Confident75Confident54 Ų5469.9 Ų69.933%0.33138%0.375SS..G310 helixtrans-110.911.4177.167.10000113.4T346 L347T346-T349 PolarHBondContact O-N 3.05Å; T346-T349 PolarHBondContact O-OG1 3.38Å; L347-T349 PolarHBondContact O-N 3.31Å
350C85.9Confident72.7Confident12 Ų1267.6 Ų67.68%0.08136%0.355CS..EExtended strand (participates in β ladder)trans-106.4154-179-63.80000112T346 L347 L391 V392 M419T346-C350 PolarHBondContact O-SG 2.96Å; T346-C350 VanDerWaalsContact O-SG 3.34Å; L347-C350 PolarHBondContact O-N 2.86Å; C350-L391 HydrophobicContact CB-CD1 3.91Å; C350-L391 HydrophobicContact CB-CG 4.39Å; C350-V392 CarbonylContact C-O 3.58Å; C350-V392 VanDerWaalsContact CA-O 3.22Å; C350-V392 WeakPolarHBondContact CA-O 3.35Å; C350-M419 HydrophobicContact CB-SD 4.3Å
351Q84.2Confident70.6Confident140 Ų14068.3 Ų68.365%0.65436%0.364SS*.EExtended strand (participates in β ladder)trans-132.6127.7169.8-64.2-179.5-5.400109.1V392Q351-V392 HydrophobicContact CB-CB 4.41Å; Q351-V392 PolarHBondContact N-O 2.97Å; Q351-V392 PolarHBondContact O-N 3.05Å
352V86.7Confident68.2Low31 Ų3169.5 Ų69.519%0.18836%0.364CS..EExtended strand (participates in β ladder)trans-84.8128.3168.9171.50000108.9L354 L391 I412 L415 M419V352-L354 HydrophobicContact CG1-CD2 3.87Å; V352-L391 HydrophobicContact CG2-CD1 3.68Å; V352-I412 HydrophobicContact CG1-CD1 3.99Å; V352-L415 HydrophobicContact CG2-CB 3.94Å; V352-L415 HydrophobicContact CG2-CD1 3.99Å; V352-L415 HydrophobicContact CG2-CG 4.38Å; V352-M419 HydrophobicContact CB-CE 3.96Å; V352-M419 HydrophobicContact CG2-CE 3.54Å; V352-M419 HydrophobicContact CG2-SD 4.15Å
353K81.8Confident65.7Low117 Ų11772.9 Ų72.951%0.50939%0.389SS..EExtended strand (participates in β ladder)trans-119.9114.3175.8168.5-171163.6-129.90108.3D390K353-D390 HydrophobicContact CB-CB 4.07Å; K353-D390 HydrophobicContact CD-CB 4.3Å; K353-D390 HydrophobicContact CG-CB 4.42Å; K353-D390 PolarHBondContact N-O 3.4Å; K353-D390 IonicContact NZ-OD2 3.73Å; K353-D390 PolarHBondContact NZ-OD2 3.31Å; K353-D390 PolarHBondContact O-N 3.01Å
354L79.6Confident63Low70 Ų7077.1 Ų77.137%0.36642%0.415SS..  trans-79.8149.4173.9-52-178.2000110.1V352 F389 I412V352-L354 HydrophobicContact CG1-CD2 3.87Å; L354-F389 HydrophobicContact CD2-CB 4.3Å; L354-I412 HydrophobicContact CD2-CD1 3.56Å; L354-I412 HydrophobicContact CD2-CG1 3.96Å; L354-I412 HydrophobicContact CD2-CG2 4.08Å
355P62.4Low60.3Low35 Ų3577.6 Ų77.623%0.22743%0.429CS..  trans-67.1161.9171.5-17.432.5000112Y388P355-Y388 HydrophobicContact CB-CE1 4.25Å; P355-Y388 HydrophobicContact CB-CE2 3.98Å; P355-Y388 WeakPolarHBondContact CD-O 3.48Å; P355-Y388 HydrophobicContact CG-CD1 4.18Å; P355-Y388 HydrophobicContact CG-CD2 3.7Å; P355-Y388 HydrophobicContact CG-CE1 3.88Å; P355-Y388 HydrophobicContact CG-CE2 3.38Å; P355-Y388 HydrophobicContact CG-CG 4.09Å; P355-Y388 VanDerWaalsContact CG-CZ 3.47Å; P355-Y388 WeakPolarHBondContact CG-O 3.47Å
356T50.6Low57.6Low66 Ų6683.8 Ų83.841%0.40546%0.462SS..  trans-134.2119174.3-13.70000107.4V273 K274 L277V273-T356 WeakPolarHBondContact CG1-O 3.31Å; K274-T356 HydrophobicContact CB-CG2 4.43Å; K274-T356 HydrophobicContact CG-CG2 3.66Å; L277-T356 HydrophobicContact CD1-CG2 3.8Å
357E43.2Very low55Low49 Ų4988.4 Ų88.423%0.22948%0.479CS..  trans-93.6177.9-169.4-53.7-176.6125.700113.6V273 K274 V276 L277 G385 K386V273-E357 CarbonylContact C-O 3.52Å; V273-E357 CarbonylContact O-C 3.55Å; K274-E357 PolarHBondContact N-O 2.86Å; V276-E357 HydrophobicContact CG1-CB 4.07Å; L277-E357 HydrophobicContact CD1-CB 4.22Å; L277-E357 HydrophobicContact CD1-CG 4.41Å; L277-E357 VanDerWaalsContact CD1-N 3.31Å; L277-E357 HydrophobicContact CD2-CB 4.05Å; L277-E357 HydrophobicContact CD2-CG 4.46Å; L277-E357 HydrophobicContact CG-CB 4.03Å; E357-G385 WeakPolarHBondContact OE1-CA 3.42Å; E357-K386 WeakPolarHBondContact OE2-CE 3.48Å
358C31.4Very low52.3Low71 Ų7192.9 Ų92.948%0.4851%0.51SS..  trans-118.5106.9-138.2-44.70000121.8V273 V276V273-C358 HydrophobicContact CB-CB 4.32Å; V273-C358 HydrophobicContact CG1-CB 4.27Å; V273-C358 HydrophobicContact CG2-CB 3.77Å; V273-C358 CarbonylContact O-C 3.58Å; V273-C358 WeakPolarHBondContact O-CA 3.5Å; V276-C358 WeakPolarHBondContact CG2-O 3.31Å
359M36.5Very low50Low85 Ų8595.4 Ų95.442%0.41953%0.529SS..  trans-139.473.8161.3-105-55.5100.500112.6E272 V273 V276 K279 N361E272-M359 CarbonylContact O-C 3.59Å; E272-M359 VanDerWaalsContact O-O 3.12Å; V273-M359 PolarHBondContact O-N 2.91Å; V276-M359 HydrophobicContact CB-CB 3.9Å; V276-M359 HydrophobicContact CB-CG 4.46Å; V276-M359 VanDerWaalsContact CB-N 3.34Å; V276-M359 HydrophobicContact CG2-CB 3.4Å; V276-M359 VanDerWaalsContact CG2-CB 3.4Å; V276-M359 HydrophobicContact CG2-CG 3.44Å; V276-M359 VanDerWaalsContact CG2-CG 3.44Å; K279-M359 PolarHBondContact NZ-O 2.85Å; M359-N361 PolarHBondContact O-N 2.88Å; M359-N361 PolarHBondContact SD-ND2 2.91Å
360D32.4Very low47.6Very low53 Ų5396.7 Ų96.728%0.28355%0.554SS.*  -25.7125.6127.6-36-1.4000110.3E272E272-D360 HydrophobicContact CG-CB 4.09Å; E272-D360 PolarHBondContact O-N 2.92Å; E272-D360 WeakPolarHBondContact OE2-CA 3.46Å
361N35.8Very low45Very low119 Ų119100 Ų10064%0.63659%0.59SS**  trans166117149-91.2-59.1000113.1M359M359-N361 PolarHBondContact O-N 2.88Å; M359-N361 PolarHBondContact SD-ND2 2.91Å
362D30.8Very low42.6Very low133 Ų13397.2 Ų97.271%0.71160%0.599SS**  trans-30.1137.9165.4-174.510.8000117.7T364D362-T364 PolarHBondContact OD1-N 2.79Å
363S33.6Very low40Very low111 Ų111101.5 Ų101.578%0.77663%0.63SS**  trans-160.2101.7139.180000111.6L365S363-L365 PolarHBondContact O-N 2.88Å
364T32.3Very low37.6Very low132 Ų132100.8 Ų100.881%0.8165%0.646SS**  trans-55.4123.316652.80000112D362D362-T364 PolarHBondContact OD1-N 2.79Å
365L32.9Very low35.4Very low173 Ų173101.5 Ų101.591%0.90667%0.67SS**  trans-109.876.6177.5-142.7172000111.2S363S363-L365 PolarHBondContact O-N 2.88Å
366N31.4Very low33.9Very low144 Ų144103.3 Ų103.377%0.7770%0.696SS**  trans-137.2114.6165.4-119.7-23.5000109.8
367H32.8Very low33Very low167 Ų167107 Ų10777%0.77371%0.713SS**SBendtrans71127.7171.7-75.7-81.9000121.9
368S31.2Very low32.5Very low97 Ų97112 Ų11268%0.67874%0.736SS**  trans76.1106.9141.948.70000122.4
369T32.8Very low32.6Very low144 Ų144116.7 Ų116.788%0.88375%0.75SS**  trans59.5124.1131.658.80000120.5
370G32.1Very low32.3Very low82 Ų82117 Ų11785%0.84576%0.761SS**  trans177.5-12.6160.500000124.4
371G31.6Very low32.1Very low82 Ų82120.8 Ų120.885%0.84579%0.786SS**  trans58106.3162.300000121.9
372G32.3Very low31.9Very low81 Ų81121 Ų12184%0.83579%0.792SS**  trans79169.7147.600000119
373S31.9Very low32Very low121 Ų121119.9 Ų119.985%0.84680%0.795SS**  cis-172.7141.5-22.6-170.60000111
374A31.9Very low32.5Very low101 Ų101123.4 Ų123.484%0.83580%0.799SS**  trans69.8132.7157.600000122.7
375G32.9Very low33.6Very low85 Ų85118.5 Ų118.588%0.87677%0.774SS**  trans99134.6155.300000117.1
376G32.3Very low35Very low74 Ų74115.1 Ų115.176%0.76375%0.752SS**  cis165.9119.5-12.100000116
377N32Very low37.6Very low144 Ų144110.3 Ų110.377%0.7773%0.727SS**  trans59132.2154.9-90.7-2.7000124.1
378Q31.4Very low40.2Very low153 Ų153106.7 Ų106.772%0.71571%0.707SS**  trans66.9119.1145.1-59.4167.331.400118
379H34.3Very low43Very low169 Ų169102.1 Ų102.178%0.78267%0.674SS**  -164.4140.166.1-121.9-79000115.3
380S29.1Very low45.7Very low92 Ų9296.4 Ų96.464%0.64364%0.639SS**  trans-1.6129.2156.157.40000123.2
381T29.2Very low48.5Very low132 Ų13292.5 Ų92.581%0.8160%0.598SS**  -164.1132.1127.621.80000114
382T30.5Very low51.1Low124 Ų12490.7 Ų90.776%0.76157%0.571SS**  trans44.5117.2152.951.20000121.5
383S33.3Very low53.5Low110 Ų11087.4 Ų87.477%0.76954%0.535SS*.  trans-114.285176.4530000113.2G385S383-G385 VanDerWaalsContact C-N 3.35Å; S383-G385 PolarHBondContact O-N 3.46Å
384E43.7Very low55.6Low185 Ų18588.4 Ų88.486%0.86453%0.531SS*.  trans-84.85.9-174.3-59.9-170.3141.400115.4
385G55Low57.4Low28 Ų2888.6 Ų88.629%0.28953%0.526SS..SBendtrans-82-30.6-165.900000117.5E357 S383 Y388E357-G385 WeakPolarHBondContact OE1-CA 3.42Å; S383-G385 VanDerWaalsContact C-N 3.35Å; S383-G385 PolarHBondContact O-N 3.46Å; G385-Y388 WeakPolarHBondContact O-CD1 3.4Å; G385-Y388 WeakPolarHBondContact O-CE1 3.24Å
386K63.8Low59.7Low102 Ų10289.2 Ų89.244%0.44350%0.502SS..SBendtrans-91.9-9.6-152.6-63.9-175.2176.2-1780117.3E357 Y388 Y408E357-K386 WeakPolarHBondContact OE2-CE 3.48Å; K386-Y388 PolarHBondContact O-N 3.04Å; K386-Y408 WeakPolarHBondContact O-CE2 3.32Å; K386-Y408 VanDerWaalsContact O-CZ 3.24Å
387L84.7Confident62.3Low44 Ų4488.5 Ų88.523%0.2348%0.483CS..SBendtrans-89.222.5-162.9-54.1-174.3000116.5Q401 A402 E405L387-Q401 WeakPolarHBondContact O-CA 3.47Å; L387-A402 PolarHBondContact O-N 3.3Å; L387-E405 VanDerWaalsContact CD2-CA 3.45Å; L387-E405 HydrophobicContact CD2-CB 3.84Å; L387-E405 HydrophobicContact CD2-CG 4.25Å
388Y88.4Confident65.1Low91 Ų9182 Ų8236%0.35745%0.448SS..EExtended strand (participates in β ladder)trans-133.6154.8-175.176.5-84.1000114P355 G385 K386 F400 Y408P355-Y388 HydrophobicContact CB-CE1 4.25Å; P355-Y388 HydrophobicContact CB-CE2 3.98Å; P355-Y388 WeakPolarHBondContact CD-O 3.48Å; P355-Y388 HydrophobicContact CG-CD1 4.18Å; P355-Y388 HydrophobicContact CG-CD2 3.7Å; P355-Y388 HydrophobicContact CG-CE1 3.88Å; P355-Y388 HydrophobicContact CG-CE2 3.38Å; P355-Y388 HydrophobicContact CG-CG 4.09Å; P355-Y388 VanDerWaalsContact CG-CZ 3.47Å; P355-Y388 WeakPolarHBondContact CG-O 3.47Å; G385-Y388 WeakPolarHBondContact O-CD1 3.4Å; G385-Y388 WeakPolarHBondContact O-CE1 3.24Å; K386-Y388 PolarHBondContact O-N 3.04Å; Y388-F400 CarbonylContact C-O 3.56Å; Y388-F400 VanDerWaalsContact CA-O 3.3Å; Y388-F400 WeakPolarHBondContact CA-O 3.41Å; Y388-F400 WeakPolarHBondContact CB-O 3.22Å; Y388-Y408 WeakPolarHBondContact O-CE2 3.3Å
389F90.3Very high67.8Low0 Ų077 Ų770%043%0.426CS..EExtended strand (participates in β ladder)trans-150.3154.2-178.563.2-90.1000112.8L307 L354 F400 Y408 W411 I412 L415L307-F389 HydrophobicContact CD1-CE1 4.46Å; L307-F389 HydrophobicContact CD1-CZ 3.8Å; L307-F389 HydrophobicContact CD2-CE1 4.09Å; L307-F389 HydrophobicContact CD2-CZ 4.25Å; L354-F389 HydrophobicContact CD2-CB 4.3Å; F389-F400 HydrophobicContact CD1-CB 4.35Å; F389-F400 HydrophobicContact CD2-CB 4.23Å; F389-F400 HydrophobicContact CD2-CD2 4.39Å; F389-F400 HydrophobicContact CE1-CB 3.95Å; F389-F400 HydrophobicContact CE2-CB 3.81Å; F389-F400 AromaticContact CE2-CD2 3.74Å; F389-F400 HydrophobicContact CE2-CD2 3.74Å; F389-F400 HydrophobicContact CE2-CG 4.15Å; F389-F400 HydrophobicContact CG-CB 4.49Å; F389-F400 HydrophobicContact CZ-CB 3.66Å; F389-F400 HydrophobicContact CZ-CD2 4.22Å; F389-F400 HydrophobicContact CZ-CG 4.22Å; F389-F400 PolarHBondContact N-O 3.37Å; F389-F400 PolarHBondContact O-N 3.16Å; F389-Y408 HydrophobicContact CB-CE2 4.41Å; F389-Y408 HydrophobicContact CD1-CD2 4.25Å; F389-Y408 HydrophobicContact CD1-CE2 4.1Å; F389-W411 HydrophobicContact CE1-CB 4.16Å; F389-W411 HydrophobicContact CZ-CB 4.28Å; F389-I412 HydrophobicContact CB-CD1 3.73Å; F389-I412 HydrophobicContact CD1-CD1 3.59Å; F389-I412 HydrophobicContact CD2-CD1 4.01Å; F389-I412 HydrophobicContact CE1-CD1 4.12Å; F389-I412 HydrophobicContact CE2-CD1 4.49Å; F389-I412 HydrophobicContact CG-CD1 3.52Å; F389-L415 HydrophobicContact CD2-CD1 4.26Å; F389-L415 HydrophobicContact CE2-CD1 3.42Å; F389-L415 VanDerWaalsContact CE2-CD1 3.42Å; F389-L415 HydrophobicContact CZ-CD1 3.76Å
390D89.3Confident70.6Confident24 Ų2468.9 Ų68.913%0.12839%0.388CS..EExtended strand (participates in β ladder)trans-102.3124.3175.3-74-18.4000109.8K353 T397 N399K353-D390 HydrophobicContact CB-CB 4.07Å; K353-D390 HydrophobicContact CD-CB 4.3Å; K353-D390 HydrophobicContact CG-CB 4.42Å; K353-D390 PolarHBondContact N-O 3.4Å; K353-D390 IonicContact NZ-OD2 3.73Å; K353-D390 PolarHBondContact NZ-OD2 3.31Å; K353-D390 PolarHBondContact O-N 3.01Å; D390-T397 HydrophobicContact CB-CG2 3.98Å; D390-N399 PolarHBondContact OD1-ND2 2.91Å
391L90.1Very high73.5Confident0 Ų067 Ų670%037%0.369CS..EExtended strand (participates in β ladder)trans-100.4107.3166.3-173.574.8000109.1L331 L345 C350 V352 Y398 F400 L415L331-L391 HydrophobicContact CD1-CD2 3.88Å; L345-L391 HydrophobicContact CD1-CD2 4.11Å; C350-L391 HydrophobicContact CB-CD1 3.91Å; C350-L391 HydrophobicContact CB-CG 4.39Å; V352-L391 HydrophobicContact CG2-CD1 3.68Å; L391-Y398 PolarHBondContact N-O 3.22Å; L391-Y398 PolarHBondContact O-N 2.88Å; L391-F400 HydrophobicContact CB-CD2 4.16Å; L391-F400 HydrophobicContact CB-CE2 4Å; L391-F400 HydrophobicContact CD2-CE2 4.07Å; L391-L415 HydrophobicContact CD1-CD2 4.27Å
392V86.9Confident76.5Confident45 Ų4560.8 Ų60.827%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-87.1129.2176.5-173.90000108.8C350 Q351 T397C350-V392 CarbonylContact C-O 3.58Å; C350-V392 VanDerWaalsContact CA-O 3.22Å; C350-V392 WeakPolarHBondContact CA-O 3.35Å; Q351-V392 HydrophobicContact CB-CB 4.41Å; Q351-V392 PolarHBondContact N-O 2.97Å; Q351-V392 PolarHBondContact O-N 3.05Å; V392-T397 HydrophobicContact CG2-CG2 4.05Å
393S83.2Confident79.1Confident11 Ų1159.5 Ų59.58%0.07732%0.316CS..EExtended strand (participates in β ladder)trans-124.2166.9168.578.60000111.1S395 R396S393-S395 PolarHBondContact O-N 2.97Å; S393-R396 PolarHBondContact N-O 2.93Å; S393-R396 PolarHBondContact O-N 3.27Å; S393-R396 VanDerWaalsContact O-N 3.13Å; S393-R396 PolarHBondContact OG-O 3.14Å
394N74.3Confident81.6Confident142 Ų14258.1 Ų58.176%0.75930%0.3SS*.THydrogen-bonded Turntrans-47.6-22.2-178.1-74-3.5000116.2
395S70.6Confident83.5Confident105 Ų10555 Ų5573%0.73429%0.286SS*.THydrogen-bonded Turntrans-117.1-16.8-178.6610000115S393S393-S395 PolarHBondContact O-N 2.97Å
396R82Confident84.9Confident98 Ų9860 Ų6037%0.3730%0.302SS..EExtended strand (participates in β ladder)trans-169.7149.3-168.5-175.4167.8173.2-160.50.9113D312 S393 Y398D312-R396 IonicContact OD1-CZ 3.86Å; D312-R396 IonicContact OD1-NH2 2.84Å; D312-R396 PolarHBondContact OD1-NH2 2.88Å; D312-R396 IonicContact OD2-CZ 3.91Å; D312-R396 IonicContact OD2-NE 3.33Å; D312-R396 PolarHBondContact OD2-NE 3.04Å; D312-R396 IonicContact OD2-NH2 3.1Å; D312-R396 PolarHBondContact OD2-NH2 2.76Å; S393-R396 PolarHBondContact N-O 2.93Å; S393-R396 PolarHBondContact O-N 3.27Å; S393-R396 VanDerWaalsContact O-N 3.13Å; S393-R396 PolarHBondContact OG-O 3.14Å; R396-Y398 HydrophobicContact CB-CD2 4.39Å; R396-Y398 HydrophobicContact CB-CE2 3.76Å; R396-Y398 HydrophobicContact CG-CD2 4.27Å; R396-Y398 HydrophobicContact CG-CE2 3.89Å
397T86.1Confident86Confident60 Ų6056.4 Ų56.437%0.36829%0.287SS..EExtended strand (participates in β ladder)trans-93.5135.1166.2-53.50000110.9D390 V392D390-T397 HydrophobicContact CB-CG2 3.98Å; V392-T397 HydrophobicContact CG2-CG2 4.05Å
398Y89.8Confident86.2Confident8 Ų856 Ų563%0.03128%0.282CS..EExtended strand (participates in β ladder)trans-113.6107178.6-66.8-111.3000108.7K309 L333 L345 L391 R396 F400K309-Y398 HydrophobicContact CD-CD1 4.47Å; L333-Y398 HydrophobicContact CD2-CD1 3.77Å; L333-Y398 HydrophobicContact CD2-CE1 3.58Å; L345-Y398 HydrophobicContact CD1-CD1 4.48Å; L345-Y398 HydrophobicContact CD1-CD2 4Å; L345-Y398 HydrophobicContact CD1-CE1 4.27Å; L345-Y398 HydrophobicContact CD1-CE2 3.77Å; L345-Y398 HydrophobicContact CD1-CG 4.39Å; L345-Y398 HydrophobicContact CD2-CE2 4.15Å; L391-Y398 PolarHBondContact N-O 3.22Å; L391-Y398 PolarHBondContact O-N 2.88Å; R396-Y398 HydrophobicContact CB-CD2 4.39Å; R396-Y398 HydrophobicContact CB-CE2 3.76Å; R396-Y398 HydrophobicContact CG-CD2 4.27Å; R396-Y398 HydrophobicContact CG-CE2 3.89Å; Y398-F400 HydrophobicContact CD1-CZ 4.38Å; Y398-F400 HydrophobicContact CG-CE2 4.5Å
399N90.1Very high86.1Confident46 Ų4657.1 Ų57.125%0.24629%0.291CS..EExtended strand (participates in β ladder)trans-80.9127.2172.3-27.899.1000109.4K310 W319 D390K310-N399 HydrophobicContact CB-CB 3.95Å; K310-N399 HydrophobicContact CD-CB 3.92Å; K310-N399 WeakPolarHBondContact CD-OD1 3.18Å; K310-N399 PolarHBondContact N-O 3.32Å; K310-N399 VanDerWaalsContact N-O 3.1Å; W319-N399 HydrophobicContact CH2-CB 4.23Å; W319-N399 HydrophobicContact CZ3-CB 4.36Å; D390-N399 PolarHBondContact OD1-ND2 2.91Å
400F92.8Very high85.9Confident0 Ų058.9 Ų58.90%030%0.299CS..EExtended strand (participates in β ladder)trans-121152.3176.9-68.3-70.2000111L307 L308 K309 V324 L333 Y388 F389 L391 Y398L307-F400 HydrophobicContact CB-CB 4.41Å; L307-F400 HydrophobicContact CB-CD1 3.67Å; L307-F400 HydrophobicContact CB-CE1 4.3Å; L307-F400 HydrophobicContact CB-CG 4.36Å; L307-F400 HydrophobicContact CD1-CB 4.19Å; L307-F400 HydrophobicContact CD1-CD1 3.94Å; L307-F400 HydrophobicContact CD1-CE1 4.42Å; L307-F400 HydrophobicContact CD1-CG 4.02Å; L307-F400 HydrophobicContact CD2-CB 4.47Å; L307-F400 HydrophobicContact CG-CD1 4.42Å; L308-F400 CarbonylContact O-C 3.48Å; L308-F400 WeakPolarHBondContact O-CA 3.39Å; K309-F400 HydrophobicContact CB-CD1 4.11Å; K309-F400 HydrophobicContact CB-CE1 4.01Å; K309-F400 HydrophobicContact CG-CD1 4.27Å; K309-F400 HydrophobicContact CG-CE1 3.99Å; V324-F400 HydrophobicContact CG2-CE1 4.1Å; L333-F400 HydrophobicContact CD1-CE1 4.17Å; L333-F400 HydrophobicContact CD1-CZ 4.45Å; Y388-F400 CarbonylContact C-O 3.56Å; Y388-F400 VanDerWaalsContact CA-O 3.3Å; Y388-F400 WeakPolarHBondContact CA-O 3.41Å; Y388-F400 WeakPolarHBondContact CB-O 3.22Å; F389-F400 HydrophobicContact CD1-CB 4.35Å; F389-F400 HydrophobicContact CD2-CB 4.23Å; F389-F400 HydrophobicContact CD2-CD2 4.39Å; F389-F400 HydrophobicContact CE1-CB 3.95Å; F389-F400 HydrophobicContact CE2-CB 3.81Å; F389-F400 AromaticContact CE2-CD2 3.74Å; F389-F400 HydrophobicContact CE2-CD2 3.74Å; F389-F400 HydrophobicContact CE2-CG 4.15Å; F389-F400 HydrophobicContact CG-CB 4.49Å; F389-F400 HydrophobicContact CZ-CB 3.66Å; F389-F400 HydrophobicContact CZ-CD2 4.22Å; F389-F400 HydrophobicContact CZ-CG 4.22Å; F389-F400 PolarHBondContact N-O 3.37Å; F389-F400 PolarHBondContact O-N 3.16Å; L391-F400 HydrophobicContact CB-CD2 4.16Å; L391-F400 HydrophobicContact CB-CE2 4Å; L391-F400 HydrophobicContact CD2-CE2 4.07Å; Y398-F400 HydrophobicContact CD1-CZ 4.38Å; Y398-F400 HydrophobicContact CG-CE2 4.5Å
401Q90Very high86Confident53 Ų5357.8 Ų57.825%0.24829%0.293CS..EExtended strand (participates in β ladder)trans-134.2139.2171.4169.6176.216.400108.7L307 L308 W319 L387L307-Q401 WeakPolarHBondContact CD2-O 3.49Å; L308-Q401 HydrophobicContact CB-CB 3.96Å; L308-Q401 HydrophobicContact CB-CG 4.46Å; L308-Q401 WeakPolarHBondContact CB-O 3.31Å; L308-Q401 HydrophobicContact CD1-CB 4.49Å; L308-Q401 HydrophobicContact CD1-CG 4.08Å; L308-Q401 PolarHBondContact N-O 3.36Å; L308-Q401 PolarHBondContact O-N 3Å; W319-Q401 VanDerWaalsContact CE2-OE1 3.29Å; W319-Q401 HydrophobicContact CE3-CB 4.18Å; W319-Q401 HydrophobicContact CH2-CB 3.93Å; W319-Q401 HydrophobicContact CZ2-CB 4.28Å; W319-Q401 HydrophobicContact CZ3-CB 3.88Å; L387-Q401 WeakPolarHBondContact O-CA 3.47Å
402A90.6Very high85.9Confident1 Ų158.4 Ų58.41%0.00830%0.296CS..  trans-88.9164.1175.200000111.2L307 L387 E407L307-A402 HydrophobicContact CD2-CB 4.37Å; L387-A402 PolarHBondContact O-N 3.3Å; A402-E407 WeakPolarHBondContact CA-OE2 3.48Å; A402-E407 HydrophobicContact CB-CB 4.27Å
403E85.6Confident85.9Confident96 Ų9657.3 Ų57.345%0.44929%0.29SS..SBendtrans-81.3-27.4-179.7-64.1-172.4167.200112.9R321 E407R321-E403 IonicContact CZ-OE1 3.77Å; R321-E403 IonicContact CZ-OE2 2.79Å; R321-E403 IonicContact NE-OE1 3.92Å; R321-E403 PolarHBondContact NE-OE1 3.34Å; R321-E403 IonicContact NH2-OE1 3.28Å; R321-E403 PolarHBondContact NH2-OE1 3.23Å; R321-E403 IonicContact NH2-OE2 2.87Å; R321-E403 PolarHBondContact NH2-OE2 3.49Å; E403-E407 PolarHBondContact N-OE2 3.25Å
404D87.3Confident86.2Confident81 Ų8157.1 Ų57.143%0.43329%0.289SS..SBendtrans-150.1179.4173.56458.9000112.8Q406 E407 Y408D404-Q406 WeakPolarHBondContact OD1-CA 3.27Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.4Å; D404-Q406 PolarHBondContact OD1-N 2.98Å; D404-E407 PolarHBondContact OD1-N 3.38Å; D404-Y408 WeakPolarHBondContact O-CB 3.5Å; D404-Y408 PolarHBondContact O-N 2.93Å
405E81.9Confident86.9Confident120 Ų12050.4 Ų50.456%0.56125%0.253SS*.Hα-helixtrans-70.4-31.8-176.9-165.2162.4-140.900113.1L387 Y408 E409L387-E405 VanDerWaalsContact CD2-CA 3.45Å; L387-E405 HydrophobicContact CD2-CB 3.84Å; L387-E405 HydrophobicContact CD2-CG 4.25Å; E405-Y408 WeakPolarHBondContact O-CB 3.31Å; E405-E409 PolarHBondContact O-N 3.05Å
406Q84.2Confident87.6Confident132 Ų13246.7 Ų46.762%0.61723%0.225SC*.Hα-helixtrans-71.1-46.3175-172.8-167.4-4500110.1D404 Y408 E409 E410D404-Q406 WeakPolarHBondContact OD1-CA 3.27Å; D404-Q406 WeakPolarHBondContact OD1-CB 3.4Å; D404-Q406 PolarHBondContact OD1-N 2.98Å; Q406-Y408 PolarHBondContact O-N 2.77Å; Q406-E409 PolarHBondContact O-N 3.06Å; Q406-E410 PolarHBondContact NE2-OE1 3.42Å; Q406-E410 WeakPolarHBondContact O-CB 3.31Å; Q406-E410 VanDerWaalsContact O-CG 3.27Å; Q406-E410 WeakPolarHBondContact O-CG 3.23Å; Q406-E410 PolarHBondContact O-N 3.3Å
407E88.5Confident87.8Confident28 Ų2842.4 Ų42.413%0.13121%0.209CC..Hα-helixtrans-62.8-35.2176.9-154-147.4-175.300111.1A402 E403 D404 W411A402-E407 WeakPolarHBondContact CA-OE2 3.48Å; A402-E407 HydrophobicContact CB-CB 4.27Å; E403-E407 PolarHBondContact N-OE2 3.25Å; D404-E407 PolarHBondContact OD1-N 3.38Å; E407-W411 WeakPolarHBondContact O-CB 3.49Å; E407-W411 PolarHBondContact O-N 3.26Å; E407-W411 PolarHBondContact OE1-NE1 3.29Å
408Y88.6Confident87.9Confident35 Ų3539.8 Ų39.814%0.13719%0.193CC..Hα-helixtrans-60-56172.2178.3-100.7000112.2K386 Y388 F389 D404 E405 Q406 E410 W411 I412K386-Y408 WeakPolarHBondContact O-CE2 3.32Å; K386-Y408 VanDerWaalsContact O-CZ 3.24Å; Y388-Y408 WeakPolarHBondContact O-CE2 3.3Å; F389-Y408 HydrophobicContact CB-CE2 4.41Å; F389-Y408 HydrophobicContact CD1-CD2 4.25Å; F389-Y408 HydrophobicContact CD1-CE2 4.1Å; D404-Y408 WeakPolarHBondContact O-CB 3.5Å; D404-Y408 PolarHBondContact O-N 2.93Å; E405-Y408 WeakPolarHBondContact O-CB 3.31Å; Q406-Y408 PolarHBondContact O-N 2.77Å; Y408-E410 VanDerWaalsContact C-N 3.28Å; Y408-E410 PolarHBondContact O-N 2.69Å; Y408-W411 PolarHBondContact O-N 3.4Å; Y408-I412 HydrophobicContact CD1-CG1 4.5Å; Y408-I412 HydrophobicContact CD2-CG1 4.34Å; Y408-I412 HydrophobicContact CE1-CG1 4.22Å; Y408-I412 HydrophobicContact CE2-CD1 4.37Å; Y408-I412 HydrophobicContact CE2-CG1 4.07Å; Y408-I412 WeakPolarHBondContact O-CG1 3.18Å; Y408-I412 PolarHBondContact O-N 2.69Å
409E85.3Confident87.7Confident114 Ų11440.7 Ų40.753%0.53320%0.198SC..Hα-helixtrans-59.2-39.6178.1-73.3-165.8161.700112.2E405 Q406 S413E405-E409 PolarHBondContact O-N 3.05Å; Q406-E409 PolarHBondContact O-N 3.06Å; E409-S413 WeakPolarHBondContact O-CB 3.2Å; E409-S413 PolarHBondContact O-N 3.29Å; E409-S413 PolarHBondContact O-OG 2.98Å
410E87.6Confident87.3Confident38 Ų3841.3 Ų41.318%0.17820%0.2CC..Hα-helixtrans-62.2-47.3174.9-75.6176.9-167.900112.2F299 K303 Q406 Y408 I414F299-E410 HydrophobicContact CD1-CB 4.5Å; F299-E410 HydrophobicContact CD1-CG 3.71Å; F299-E410 HydrophobicContact CE1-CG 3.5Å; F299-E410 VanDerWaalsContact CE1-CG 3.5Å; F299-E410 HydrophobicContact CZ-CG 4.17Å; K303-E410 IonicContact NZ-OE2 2.74Å; K303-E410 PolarHBondContact NZ-OE2 3.15Å; Q406-E410 PolarHBondContact NE2-OE1 3.42Å; Q406-E410 WeakPolarHBondContact O-CB 3.31Å; Q406-E410 VanDerWaalsContact O-CG 3.27Å; Q406-E410 WeakPolarHBondContact O-CG 3.23Å; Q406-E410 PolarHBondContact O-N 3.3Å; Y408-E410 VanDerWaalsContact C-N 3.28Å; Y408-E410 PolarHBondContact O-N 2.69Å; E410-I414 WeakPolarHBondContact O-CB 3.05Å; E410-I414 WeakPolarHBondContact O-CD1 3.21Å; E410-I414 VanDerWaalsContact O-CG1 3.23Å; E410-I414 WeakPolarHBondContact O-CG1 3.32Å; E410-I414 PolarHBondContact O-N 3.5Å
411W91Very high86.8Confident0 Ų044.3 Ų44.30%021%0.214CC..Hα-helixtrans-65.6-43.4178.9-84.5114.4000112.1K303 L307 V324 I326 F389 E407 Y408 L415K303-W411 HydrophobicContact CB-CH2 4.3Å; K303-W411 HydrophobicContact CB-CZ3 4.09Å; K303-W411 HydrophobicContact CD-CD2 3.55Å; K303-W411 HydrophobicContact CD-CE3 3.67Å; K303-W411 HydrophobicContact CD-CG 4.17Å; K303-W411 HydrophobicContact CD-CH2 3.87Å; K303-W411 HydrophobicContact CD-CZ2 3.77Å; K303-W411 HydrophobicContact CD-CZ3 3.83Å; K303-W411 HydrophobicContact CG-CH2 4.3Å; K303-W411 HydrophobicContact CG-CZ2 4.48Å; K303-W411 HydrophobicContact CG-CZ3 4.4Å; L307-W411 HydrophobicContact CD1-CD2 3.77Å; L307-W411 HydrophobicContact CD1-CE3 3.98Å; L307-W411 HydrophobicContact CD1-CG 4.27Å; L307-W411 HydrophobicContact CD1-CH2 4.3Å; L307-W411 HydrophobicContact CD1-CZ2 4.08Å; L307-W411 HydrophobicContact CD1-CZ3 4.24Å; L307-W411 HydrophobicContact CD2-CD2 4.19Å; L307-W411 HydrophobicContact CD2-CG 3.98Å; L307-W411 HydrophobicContact CG-CD2 4.06Å; L307-W411 HydrophobicContact CG-CG 4.39Å; L307-W411 HydrophobicContact CG-CZ2 3.94Å; V324-W411 HydrophobicContact CB-CH2 3.77Å; V324-W411 HydrophobicContact CB-CZ2 4.38Å; V324-W411 HydrophobicContact CB-CZ3 4.36Å; V324-W411 HydrophobicContact CG1-CH2 3.74Å; V324-W411 HydrophobicContact CG1-CZ3 3.83Å; I326-W411 HydrophobicContact CD1-CE3 3.98Å; I326-W411 HydrophobicContact CD1-CZ3 3.71Å; I326-W411 HydrophobicContact CG1-CZ3 4.17Å; F389-W411 HydrophobicContact CE1-CB 4.16Å; F389-W411 HydrophobicContact CZ-CB 4.28Å; E407-W411 WeakPolarHBondContact O-CB 3.49Å; E407-W411 PolarHBondContact O-N 3.26Å; E407-W411 PolarHBondContact OE1-NE1 3.29Å; Y408-W411 PolarHBondContact O-N 3.4Å; W411-L415 VanDerWaalsContact O-CB 3.28Å; W411-L415 WeakPolarHBondContact O-CB 3.42Å; W411-L415 WeakPolarHBondContact O-CD1 3.48Å; W411-L415 WeakPolarHBondContact O-CG 3.49Å; W411-L415 PolarHBondContact O-N 3.08Å
412I88.3Confident86.4Confident13 Ų1343.4 Ų43.47%0.06721%0.209CC..Hα-helixtrans-65.6-44.1177.6-63.6-51.3000111V352 L354 F389 Y408 N416V352-I412 HydrophobicContact CG1-CD1 3.99Å; L354-I412 HydrophobicContact CD2-CD1 3.56Å; L354-I412 HydrophobicContact CD2-CG1 3.96Å; L354-I412 HydrophobicContact CD2-CG2 4.08Å; F389-I412 HydrophobicContact CB-CD1 3.73Å; F389-I412 HydrophobicContact CD1-CD1 3.59Å; F389-I412 HydrophobicContact CD2-CD1 4.01Å; F389-I412 HydrophobicContact CE1-CD1 4.12Å; F389-I412 HydrophobicContact CE2-CD1 4.49Å; F389-I412 HydrophobicContact CG-CD1 3.52Å; Y408-I412 HydrophobicContact CD1-CG1 4.5Å; Y408-I412 HydrophobicContact CD2-CG1 4.34Å; Y408-I412 HydrophobicContact CE1-CG1 4.22Å; Y408-I412 HydrophobicContact CE2-CD1 4.37Å; Y408-I412 HydrophobicContact CE2-CG1 4.07Å; Y408-I412 WeakPolarHBondContact O-CG1 3.18Å; Y408-I412 PolarHBondContact O-N 2.69Å; I412-N416 WeakPolarHBondContact O-CB 3.09Å; I412-N416 VanDerWaalsContact O-CG 3.27Å; I412-N416 PolarHBondContact O-N 2.62Å; I412-N416 PolarHBondContact O-ND2 3.49Å
413S85.9Confident85.6Confident22 Ų2247.6 Ų47.615%0.15423%0.228CC..Hα-helixtrans-62.3-47177.4-61.90000111.5F299 E409 N416 N417F299-S413 WeakPolarHBondContact CD2-OG 3.17Å; E409-S413 WeakPolarHBondContact O-CB 3.2Å; E409-S413 PolarHBondContact O-N 3.29Å; E409-S413 PolarHBondContact O-OG 2.98Å; S413-N416 PolarHBondContact O-N 2.91Å; S413-N417 VanDerWaalsContact O-CB 3.24Å; S413-N417 WeakPolarHBondContact O-CB 3.38Å; S413-N417 PolarHBondContact O-N 2.87Å; S413-N417 PolarHBondContact O-ND2 3.38Å; S413-N417 PolarHBondContact O-OD1 3.26Å
414I88.8Confident85Confident7 Ų746.5 Ų46.54%0.03623%0.225CC..Hα-helixtrans-70.7-36.6-178.3-65.9166.4000111.5F299 K303 I326 E410 A418F299-I414 HydrophobicContact CB-CD1 4.09Å; F299-I414 HydrophobicContact CB-CG1 3.71Å; F299-I414 VanDerWaalsContact O-CD1 3.31Å; F299-I414 WeakPolarHBondContact O-CD1 3.44Å; F299-I414 VanDerWaalsContact O-CG1 3.29Å; F299-I414 WeakPolarHBondContact O-CG1 3.35Å; K303-I414 HydrophobicContact CB-CD1 3.96Å; K303-I414 HydrophobicContact CB-CG2 4.11Å; K303-I414 HydrophobicContact CD-CD1 3.92Å; K303-I414 HydrophobicContact CG-CD1 3.97Å; I326-I414 HydrophobicContact CD1-CG2 4.46Å; E410-I414 WeakPolarHBondContact O-CB 3.05Å; E410-I414 WeakPolarHBondContact O-CD1 3.21Å; E410-I414 VanDerWaalsContact O-CG1 3.23Å; E410-I414 WeakPolarHBondContact O-CG1 3.32Å; E410-I414 PolarHBondContact O-N 3.5Å; I414-A418 WeakPolarHBondContact O-CB 3.38Å; I414-A418 PolarHBondContact O-N 3.37Å
415L89.4Confident84.5Confident1 Ų146.6 Ų46.61%0.00522%0.221CC..Hα-helixtrans-61.2-48.3171.9-82.9163.4000111.5I326 L331 L347 V352 F389 L391 W411 A418 M419I326-L415 HydrophobicContact CD1-CD2 3.53Å; I326-L415 HydrophobicContact CD1-CG 3.72Å; L331-L415 HydrophobicContact CD1-CD2 4Å; L347-L415 HydrophobicContact CD2-CD2 4.2Å; V352-L415 HydrophobicContact CG2-CB 3.94Å; V352-L415 HydrophobicContact CG2-CD1 3.99Å; V352-L415 HydrophobicContact CG2-CG 4.38Å; F389-L415 HydrophobicContact CD2-CD1 4.26Å; F389-L415 HydrophobicContact CE2-CD1 3.42Å; F389-L415 VanDerWaalsContact CE2-CD1 3.42Å; F389-L415 HydrophobicContact CZ-CD1 3.76Å; L391-L415 HydrophobicContact CD1-CD2 4.27Å; W411-L415 VanDerWaalsContact O-CB 3.28Å; W411-L415 WeakPolarHBondContact O-CB 3.42Å; W411-L415 WeakPolarHBondContact O-CD1 3.48Å; W411-L415 WeakPolarHBondContact O-CG 3.49Å; W411-L415 PolarHBondContact O-N 3.08Å; L415-A418 PolarHBondContact O-N 3.2Å; L415-M419 WeakPolarHBondContact O-CB 3.22Å; L415-M419 VanDerWaalsContact O-CG 3.26Å; L415-M419 WeakPolarHBondContact O-CG 3.42Å; L415-M419 PolarHBondContact O-N 2.72Å
416N86.5Confident83.6Confident28 Ų2843.2 Ų43.215%0.1521%0.214CC..Hα-helixtrans-65.6-43.8179.1-70.5-23.8000111.6T293 I412 S413 A418 M419 Q420T293-N416 PolarHBondContact OG1-ND2 3.4Å; I412-N416 WeakPolarHBondContact O-CB 3.09Å; I412-N416 VanDerWaalsContact O-CG 3.27Å; I412-N416 PolarHBondContact O-N 2.62Å; I412-N416 PolarHBondContact O-ND2 3.49Å; S413-N416 PolarHBondContact O-N 2.91Å; N416-A418 PolarHBondContact O-N 2.77Å; N416-M419 VanDerWaalsContact OD1-CE 3.29Å; N416-M419 WeakPolarHBondContact OD1-CE 3.21Å; N416-Q420 VanDerWaalsContact O-CB 3.24Å; N416-Q420 WeakPolarHBondContact O-CB 3.15Å; N416-Q420 PolarHBondContact O-N 2.9Å
417N85.9Confident82.1Confident8 Ų839.8 Ų39.84%0.04320%0.199CC..Hα-helixtrans-60.1-44.5175.3-70.1-17.8000111.3N296 G300 T301 S413 Q420 E421N296-N417 PolarHBondContact O-ND2 3.05Å; G300-N417 VanDerWaalsContact O-CB 3.27Å; G300-N417 WeakPolarHBondContact O-CB 3.44Å; G300-N417 PolarHBondContact O-ND2 2.89Å; T301-N417 HydrophobicContact CG2-CB 3.85Å; S413-N417 VanDerWaalsContact O-CB 3.24Å; S413-N417 WeakPolarHBondContact O-CB 3.38Å; S413-N417 PolarHBondContact O-N 2.87Å; S413-N417 PolarHBondContact O-ND2 3.38Å; S413-N417 PolarHBondContact O-OD1 3.26Å; N417-Q420 PolarHBondContact O-N 3Å; N417-E421 WeakPolarHBondContact O-CB 3.37Å; N417-E421 PolarHBondContact O-N 3.33Å
418A87.3Confident80.6Confident4 Ų444 Ų443%0.03322%0.222CC..Hα-helixtrans-73.3-40.8-178.800000113T301 I326 L347 I414 L415 N416 Q420 E421 E422T301-A418 WeakPolarHBondContact O-CB 3.41Å; I326-A418 HydrophobicContact CG2-CB 3.87Å; L347-A418 HydrophobicContact CD1-CB 3.69Å; I414-A418 WeakPolarHBondContact O-CB 3.38Å; I414-A418 PolarHBondContact O-N 3.37Å; L415-A418 PolarHBondContact O-N 3.2Å; N416-A418 PolarHBondContact O-N 2.77Å; A418-Q420 VanDerWaalsContact C-N 3.29Å; A418-Q420 PolarHBondContact O-N 2.92Å; A418-E421 PolarHBondContact O-N 3.46Å; A418-E422 WeakPolarHBondContact O-CG 3.44Å; A418-E422 PolarHBondContact O-N 3.02Å
419M86.1Confident78.5Confident28 Ų2843.3 Ų43.314%0.13823%0.225CC..Hα-helixtrans-61-40.1171.4-72-176.8-54.600111L347 C350 V352 L415 N416 F423L347-M419 HydrophobicContact CB-CG 4.11Å; L347-M419 HydrophobicContact CD2-CG 4.26Å; C350-M419 HydrophobicContact CB-SD 4.3Å; V352-M419 HydrophobicContact CB-CE 3.96Å; V352-M419 HydrophobicContact CG2-CE 3.54Å; V352-M419 HydrophobicContact CG2-SD 4.15Å; L415-M419 WeakPolarHBondContact O-CB 3.22Å; L415-M419 VanDerWaalsContact O-CG 3.26Å; L415-M419 WeakPolarHBondContact O-CG 3.42Å; L415-M419 PolarHBondContact O-N 2.72Å; N416-M419 VanDerWaalsContact OD1-CE 3.29Å; N416-M419 WeakPolarHBondContact OD1-CE 3.21Å; M419-F423 VanDerWaalsContact O-CB 3.27Å; M419-F423 WeakPolarHBondContact O-CB 3.4Å; M419-F423 PolarHBondContact O-N 3.29Å
420Q82.1Confident76.4Confident59 Ų5946.4 Ų46.428%0.27624%0.24SC..Hα-helixtrans-71-33.5174.6-168.966.960.100112.3L295 N416 N417 A418 N424L295-Q420 HydrophobicContact CD1-CG 4.49Å; L295-Q420 HydrophobicContact CD2-CB 3.9Å; L295-Q420 HydrophobicContact CD2-CG 3.84Å; N416-Q420 VanDerWaalsContact O-CB 3.24Å; N416-Q420 WeakPolarHBondContact O-CB 3.15Å; N416-Q420 PolarHBondContact O-N 2.9Å; N417-Q420 PolarHBondContact O-N 3Å; A418-Q420 VanDerWaalsContact C-N 3.29Å; A418-Q420 PolarHBondContact O-N 2.92Å; Q420-N424 PolarHBondContact NE2-OD1 2.98Å; Q420-N424 VanDerWaalsContact O-CB 3.25Å; Q420-N424 WeakPolarHBondContact O-CB 3.12Å; Q420-N424 PolarHBondContact O-N 3.5Å; Q420-N424 PolarHBondContact O-ND2 3.29Å; Q420-N424 PolarHBondContact O-OD1 3.41Å
421E82.4Confident74.2Confident62 Ų6252 Ų5229%0.2927%0.271SS..Hα-helixtrans-64.4-46173.9-162.6-164.2151.200110.7T301 N417 A418 N424 K425T301-E421 WeakPolarHBondContact CB-OE2 3.3Å; T301-E421 HydrophobicContact CG2-CB 4.14Å; T301-E421 HydrophobicContact CG2-CG 4.48Å; T301-E421 WeakPolarHBondContact CG2-OE2 3.44Å; T301-E421 PolarHBondContact OG1-OE2 3.41Å; N417-E421 WeakPolarHBondContact O-CB 3.37Å; N417-E421 PolarHBondContact O-N 3.33Å; A418-E421 PolarHBondContact O-N 3.46Å; E421-N424 PolarHBondContact O-N 2.96Å; E421-K425 VanDerWaalsContact CD-NZ 3.33Å; E421-K425 WeakPolarHBondContact O-CG 3.31Å; E421-K425 PolarHBondContact O-N 3.11Å; E421-K425 WeakPolarHBondContact OE1-CE 3.07Å; E421-K425 IonicContact OE1-NZ 2.73Å; E421-K425 PolarHBondContact OE1-NZ 3.38Å
422E80.7Confident71.6Confident34 Ų3461 Ų6116%0.15931%0.306CS..Hα-helixtrans-68.6-37.3175.8-66.5-45.8127.800113.3G329 L347 A418 K425 A426G329-E422 VanDerWaalsContact CA-OE1 3.32Å; G329-E422 WeakPolarHBondContact CA-OE1 3.5Å; G329-E422 PolarHBondContact N-OE1 3.37Å; L347-E422 HydrophobicContact CB-CG 4.39Å; A418-E422 WeakPolarHBondContact O-CG 3.44Å; A418-E422 PolarHBondContact O-N 3.02Å; E422-K425 PolarHBondContact O-N 3.24Å; E422-K425 WeakPolarHBondContact OE1-CD 3.35Å; E422-K425 IonicContact OE1-NZ 2.96Å; E422-K425 PolarHBondContact OE1-NZ 3.06Å; E422-K425 WeakPolarHBondContact OE2-CD 3.3Å; E422-A426 VanDerWaalsContact O-CB 3.26Å; E422-A426 WeakPolarHBondContact O-CB 3.41Å; E422-A426 PolarHBondContact O-N 3.01Å
423F73.6Confident69.2Low90 Ų9067.1 Ų67.140%0.39534%0.338SS..Hα-helixtrans-58.2-50.9169.4-175.1-93.1000109.8M419 K425 A426 M427M419-F423 VanDerWaalsContact O-CB 3.27Å; M419-F423 WeakPolarHBondContact O-CB 3.4Å; M419-F423 PolarHBondContact O-N 3.29Å; F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 2.96Å; F423-A426 PolarHBondContact O-N 3.48Å; F423-M427 HydrophobicContact CD1-CG 3.85Å; F423-M427 HydrophobicContact CE1-CE 3.84Å; F423-M427 HydrophobicContact CE1-CG 3.67Å; F423-M427 HydrophobicContact CE1-SD 4.17Å; F423-M427 HydrophobicContact CE2-CG 4.37Å; F423-M427 HydrophobicContact CE2-SD 4.27Å; F423-M427 HydrophobicContact CG-CG 4.3Å; F423-M427 HydrophobicContact CZ-CE 3.65Å; F423-M427 HydrophobicContact CZ-CG 3.94Å; F423-M427 HydrophobicContact CZ-SD 3.86Å; F423-M427 WeakPolarHBondContact O-CB 3.47Å; F423-M427 WeakPolarHBondContact O-CG 3.43Å; F423-M427 PolarHBondContact O-N 3.18Å
424N74.6Confident66.7Low72 Ų7274.3 Ų74.339%0.38537%0.374SS..Hα-helixtrans-61.7-37.6178.4-67.1-7.7000112.4Q420 E421 N428Q420-N424 PolarHBondContact NE2-OD1 2.98Å; Q420-N424 VanDerWaalsContact O-CB 3.25Å; Q420-N424 WeakPolarHBondContact O-CB 3.12Å; Q420-N424 PolarHBondContact O-N 3.5Å; Q420-N424 PolarHBondContact O-ND2 3.29Å; Q420-N424 PolarHBondContact O-OD1 3.41Å; E421-N424 PolarHBondContact O-N 2.96Å; N424-N428 WeakPolarHBondContact O-CB 3.41Å; N424-N428 PolarHBondContact O-N 2.85Å; N424-N428 PolarHBondContact O-ND2 3.31Å
425K74.8Confident63.8Low84 Ų8478 Ų7837%0.36540%0.401SS..Hα-helixtrans-64.8-45.4173.3-74.9166.3-176.5163.90112.1E421 E422 F423 M427 N428 G429E421-K425 VanDerWaalsContact CD-NZ 3.33Å; E421-K425 WeakPolarHBondContact O-CG 3.31Å; E421-K425 PolarHBondContact O-N 3.11Å; E421-K425 WeakPolarHBondContact OE1-CE 3.07Å; E421-K425 IonicContact OE1-NZ 2.73Å; E421-K425 PolarHBondContact OE1-NZ 3.38Å; E422-K425 PolarHBondContact O-N 3.24Å; E422-K425 WeakPolarHBondContact OE1-CD 3.35Å; E422-K425 IonicContact OE1-NZ 2.96Å; E422-K425 PolarHBondContact OE1-NZ 3.06Å; E422-K425 WeakPolarHBondContact OE2-CD 3.3Å; F423-K425 VanDerWaalsContact C-N 3.34Å; F423-K425 PolarHBondContact O-N 2.96Å; K425-M427 VanDerWaalsContact C-N 3.3Å; K425-M427 PolarHBondContact O-N 3.4Å; K425-N428 PolarHBondContact O-N 2.81Å; K425-G429 PolarHBondContact O-N 2.63Å
426A64.6Low61Low48 Ų4886.3 Ų86.340%0.39744%0.44SS..Hα-helixtrans-66.4-31.8178.900000112.6L348 E422 F423L348-A426 HydrophobicContact CD1-CB 3.82Å; L348-A426 HydrophobicContact CD2-CB 3.81Å; E422-A426 VanDerWaalsContact O-CB 3.26Å; E422-A426 WeakPolarHBondContact O-CB 3.41Å; E422-A426 PolarHBondContact O-N 3.01Å; F423-A426 PolarHBondContact O-N 3.48Å
427M52.5Low58.1Low61 Ų6190 Ų9030%0.347%0.466SS..Hα-helixtrans-79.9-38.2176.1-61.9-73.6-87.300112.4F423 K425 E572 L604F423-M427 HydrophobicContact CD1-CG 3.85Å; F423-M427 HydrophobicContact CE1-CE 3.84Å; F423-M427 HydrophobicContact CE1-CG 3.67Å; F423-M427 HydrophobicContact CE1-SD 4.17Å; F423-M427 HydrophobicContact CE2-CG 4.37Å; F423-M427 HydrophobicContact CE2-SD 4.27Å; F423-M427 HydrophobicContact CG-CG 4.3Å; F423-M427 HydrophobicContact CZ-CE 3.65Å; F423-M427 HydrophobicContact CZ-CG 3.94Å; F423-M427 HydrophobicContact CZ-SD 3.86Å; F423-M427 WeakPolarHBondContact O-CB 3.47Å; F423-M427 WeakPolarHBondContact O-CG 3.43Å; F423-M427 PolarHBondContact O-N 3.18Å; K425-M427 VanDerWaalsContact C-N 3.3Å; K425-M427 PolarHBondContact O-N 3.4Å; M427-E572 WeakPolarHBondContact CE-OE1 3.39Å; M427-L604 HydrophobicContact CE-CD1 4.2Å; M427-L604 HydrophobicContact SD-CD1 3.45Å; M427-L604 WeakPolarHBondContact SD-CD1 3.4Å; M427-L604 HydrophobicContact SD-CD2 3.75Å; M427-L604 HydrophobicContact SD-CG 4.26Å
428N56.9Low55.3Low116 Ų11695.8 Ų95.862%0.6250%0.497SS*.Hα-helixtrans-96-14.2-172.1-60.8-11.7000114.6N424 K425N424-N428 WeakPolarHBondContact O-CB 3.41Å; N424-N428 PolarHBondContact O-N 2.85Å; N424-N428 PolarHBondContact O-ND2 3.31Å; K425-N428 PolarHBondContact O-N 2.81Å
429G43.6Very low52.6Low20 Ų20102.7 Ų102.721%0.20653%0.533CS..THydrogen-bonded Turntrans62.585.8163.400000117.1K425 N431K425-G429 PolarHBondContact O-N 2.63Å; G429-N431 PolarHBondContact O-N 3.47Å
430E42.3Very low49.7Very low180 Ų180106.2 Ų106.284%0.84156%0.56SS**THydrogen-bonded Turntrans57.9-19.4165.7-63.1-171.1139.900119.1Y432E430-Y432 PolarHBondContact O-N 2.8Å
431N40Very low47.1Very low155 Ų155110.6 Ų110.683%0.82958%0.581SS**THydrogen-bonded Turntrans-73.916.2-173.5-75.4-35.2000116G429G429-N431 PolarHBondContact O-N 3.47Å
432Y37.9Very low44.5Very low189 Ų189113.3 Ų113.374%0.74160%0.602SS**THydrogen-bonded Turntrans-129.313.9-172.1-129.5-84.1000115.5E430E430-Y432 PolarHBondContact O-N 2.8Å
433I38Very low41.9Very low142 Ų142116.1 Ų116.173%0.72863%0.631SS**SBendtrans-99.3-13.2-176.5-64.9177.4000113.3
434N31.8Very low39.7Very low172 Ų172119 Ų11992%0.9265%0.649SS**SBendtrans-105.222.2-178.9-84.3-13.5000114.4
435S29.6Very low37.4Very low85 Ų85122.1 Ų122.159%0.59467%0.666SS**SBendtrans-145.3123.5-180-175.20000113.4
436Q29.6Very low35.1Very low176 Ų176125.2 Ų125.282%0.82269%0.686SS**  trans86.2135.5167.9-149.7160.117.300117
437C25.6Very low33.2Very low105 Ų105127.4 Ų127.471%0.70970%0.698SS**  trans64.3120.6-167.4-71.20000115.4
438D28.2Very low32Very low130 Ų130128.8 Ų128.870%0.69571%0.714SS**  cis-147.5143.74.8-94.9-36000116
439L29Very low30.5Very low148 Ų148129.9 Ų129.978%0.77572%0.72SS**  trans62.7126144.6-60.6168.7000122.4
440S25.8Very low29.7Very low102 Ų102140 Ų14071%0.71375%0.752SS**  trans-21.2150.9147.450.90000116.9
441E27.6Very low29Very low151 Ų151135.4 Ų135.471%0.70674%0.739SS**  -165.916454.3-167.5169.2-160.800112.4
442T27.5Very low28.4Very low119 Ų119136.5 Ų136.573%0.7374%0.742SS**  trans41.7108.6169.341.80000118.9
443A26.5Very low28.1Very low93 Ų93131.5 Ų131.577%0.76974%0.735SS**  cis62.878.546.900000116.1
444L27.6Very low27.7Very low150 Ų150130.1 Ų130.179%0.78573%0.733SS**  trans-144114.9154.9-79.1-176.5000112.6
445N26.1Very low27.8Very low139 Ų139127.7 Ų127.774%0.74372%0.72SS**  32.1118.7108.9-64.9-23.5000116.1
446L27.4Very low28Very low148 Ų148132 Ų13278%0.77573%0.728SS**  cis-135.6150.332.8-95.840.5000109.9
447S24.8Very low28Very low95 Ų95128.2 Ų128.266%0.66472%0.72SS**  68150.255.5127.30000115.4
448S26.7Very low28.2Very low90 Ų90129.2 Ų129.263%0.62972%0.718SS**  trans79.991.1164-58.20000120
449N26.2Very low28.3Very low139 Ų139129.1 Ų129.174%0.74372%0.716SS**  67.3132.9111.5-74.8-52.5000121.5
450R26.7Very low28.5Very low232 Ų232127.2 Ų127.288%0.87571%0.711SS**  trans71.5154143.5-74-172.1175.6-158.1-0.5118.2
451S26.9Very low28.6Very low83 Ų83129.9 Ų129.958%0.5872%0.717SS**  cis-174.4143-22.652.50000111.7
452M28Very low28.8Very low178 Ų178125.9 Ų125.988%0.87772%0.717SS**  trans63.5169.6160.3-60.8-175.87300114.3
453S29.7Very low29Very low85 Ų85127.5 Ų127.559%0.59472%0.721SS**  cis-149.5140.611.456.50000113.5
454T31.6Very low29.2Very low113 Ų113128 Ų12869%0.69372%0.719SS**  trans64.1149.8146.652.50000119.5
455N32Very low29.3Very low120 Ų120128.9 Ų128.964%0.64272%0.724SS**  cis-157.813911.2-125.7-26.6000112.1
456K33.8Very low29.3Very low176 Ų176126.4 Ų126.477%0.76572%0.722SS**  trans63.4149.6148.9-68.1177.4-178.3-178.40118
457C30.7Very low29.4Very low97 Ų97123.6 Ų123.666%0.65572%0.721SS**  cis-163.9156.1-0.7-111.30000107.1
458N29.3Very low29.6Very low126 Ų126126 Ų12667%0.67473%0.726SS**  cis-167.8158.2-15.9-129.111.6000111
459I30.3Very low29.9Very low128 Ų128129.4 Ų129.466%0.65674%0.735SS**  trans79.496.1142.7-73.2169.7000120
460T32.8Very low30Very low108 Ų108129.6 Ų129.666%0.66374%0.736SS**  74148.6127.864.60000123
461N28.6Very low30.2Very low157 Ų157124.8 Ų124.884%0.8473%0.727SS**  cis-174.8156.3-29-103.54.8000106.7
462G31.4Very low30.2Very low68 Ų68127.1 Ų127.170%0.70174%0.738SS**  trans16075.1170.500000115.1
463D32.6Very low30.3Very low152 Ų152128.7 Ų128.781%0.81374%0.736SS**  trans24.3120.5150.2-44.1-33.6000119.3
464S30.3Very low30.2Very low103 Ų103129.4 Ų129.472%0.7274%0.74SS**  cis70.4113.547.6-165.50000114.6
465L30.1Very low30.2Very low170 Ų170130.6 Ų130.689%0.8975%0.748SS**  -168.1168.592.1-159.456.2000111.5
466A26.3Very low30Very low86 Ų86132.5 Ų132.571%0.71176%0.757SS**  trans-92.7-179.9-166.200000116
467A28.8Very low29.9Very low90 Ų90131 Ų13174%0.74476%0.763SS**  trans70.7149.2172.400000115.5
468D28.4Very low29.9Very low146 Ų146130.3 Ų130.378%0.78177%0.772SS**  cis-157.717626.2-138.3-25.2000114
469I33.3Very low29.9Very low161 Ų161134.2 Ų134.283%0.82679%0.786SS**  trans78.2135.8159.4-67.2161.9000119.2
470D29.1Very low29.7Very low143 Ų143131.2 Ų131.277%0.76579%0.787SS**  trans-123.3173.9-159.7-161.6-4.6000111.5
471L29.6Very low29.8Very low131 Ų131133.8 Ų133.869%0.68680%0.796SS**  trans55.3102.8144.7-17070000121
472V28.3Very low29.9Very low132 Ų132131.7 Ų131.780%0.879%0.794SS**  trans-143.3150.6136.9-164.30000110
473Y28.9Very low30.2Very low211 Ų211133.9 Ų133.983%0.82780%0.796SS**SBendtrans92.229.5170.4-97.8-77.6000120.6
474S27.9Very low30.2Very low99 Ų99133.9 Ų133.969%0.69279%0.793SS**SBendtrans-123.1154.8142.6-82.40000109.8
475T31Very low30.2Very low139 Ų139134.5 Ų134.585%0.85379%0.788SS**  trans74.196.5176.3-43.90000116.4
476L28.4Very low30.3Very low160 Ų160131.9 Ų131.984%0.83878%0.775SS**  trans-149.227.5162.2-120.5177.2000116.1
477T31.6Very low30.7Very low145 Ų145134.2 Ų134.289%0.8978%0.776SS**SBendtrans-145.5110.8166.351.40000111.1
478G30.2Very low31Very low81 Ų81134.9 Ų134.984%0.83578%0.775SS**  trans156.7133.817500000113.7
479Q29.8Very low31.3Very low209 Ų209132.2 Ų132.298%0.97777%0.767SS**  trans-92.2160.8178.9-63.9163.5-7.800110.3
480G27.5Very low31.4Very low65 Ų65132.8 Ų132.867%0.6776%0.764SS**  cis175.1-142.13.900000111.9
481N32.8Very low31.6Very low161 Ų161133 Ų13386%0.86176%0.76SS**  trans88.391.8177.3-59-28.7000118.8
482S31.8Very low31.8Very low113 Ų113133 Ų13379%0.7976%0.759SS**  28147.5113.8-58.70000120.7
483P36.9Very low32.1Very low115 Ų115134.9 Ų134.975%0.74776%0.757SS**  cis-145.9-166.435.142-21.4000117.2
484M33.4Very low32.4Very low151 Ų151129.6 Ų129.674%0.74475%0.751SS**  trans89.780.4158.3-68.2-85.894.900120.9
485N30.4Very low32.7Very low117 Ų117131 Ų13163%0.62675%0.751SS**  108.2120.3100-139.619.9000121
486N32.3Very low33.1Very low115 Ų115129.2 Ų129.262%0.61574%0.743SS**  trans77.4113141.6-83.3-12.9000124.5
487N34.2Very low33.4Very low135 Ų135131.5 Ų131.572%0.72275%0.747SS**  82.2123.3126.9-63.7-22.3000120.3
488S34.4Very low33.5Very low104 Ų104128.1 Ų128.173%0.72774%0.741SS**  cis172.9174.110.252.10000110.6
489S35.9Very low33.8Very low89 Ų89131.4 Ų131.462%0.62274%0.739SS**  trans88.191.6146.7-1670000121.4
490K35.8Very low34Very low174 Ų174126 Ų12676%0.75773%0.725SS**  62.9150.9119.1-66.5169.1176.8-176.40119
491H32.2Very low34.3Very low147 Ų147130.5 Ų130.568%0.68173%0.733SS**  cis-169.3161.218.9-128.8-39.6000111.9
492I34Very low34.4Very low131 Ų131129 Ų12967%0.67273%0.731SS**  trans83.3111.3148.2-65.1160.1000119.7
493K33.9Very low34.4Very low172 Ų172127.2 Ų127.275%0.74873%0.731SS**  31.8157.5123.4-39.9-172.9176.7-170.40120.5
494S35.8Very low34.3Very low100 Ų100126.2 Ų126.270%0.69973%0.727SS**  cis-167.316720.613.70000109.6
495D34.9Very low34.1Very low129 Ų129126.6 Ų126.669%0.6973%0.727SS**  cis-174.6168.3-24.3-86.3-24000106
496S39Very low34.1Very low100 Ų100126.5 Ų126.570%0.69973%0.727SS**  trans71.8141172.3138.90000117.6
497F34.5Very low34.2Very low208 Ų208128 Ų12891%0.91273%0.734SS**  cis-166.7163.3-17.4-83.5-47.7000105.1
498G34.9Very low34.1Very low75 Ų75128.1 Ų128.177%0.77374%0.735SS**  cis-170.4-166.8-0.600000106.6
499D34.8Very low34.1Very low149 Ų149130.4 Ų130.480%0.79774%0.738SS**  cis-153.1150.7-4.4-163.2-10.4000108.3
500S35.3Very low33.8Very low96 Ų96132.4 Ų132.467%0.67174%0.741SS**  trans29.1131.8155.8-63.50000121.3
501L33.5Very low33.7Very low160 Ų160128.7 Ų128.784%0.83874%0.738SS**  cis-165.5140.219.4-107.3152.6000111.2
502P34.4Very low33.5Very low128 Ų128127.8 Ų127.883%0.83175%0.748SS**  trans-124159.416539-28.3000114.3
503G32.4Very low33.4Very low76 Ų76125.4 Ų125.478%0.78476%0.755SS**  trans156.6163.4172.800000111.4
504S34.8Very low33.3Very low94 Ų94122.7 Ų122.766%0.65776%0.758SS**  cis-167.4111-857.50000106.5
505E28.6Very low32.9Very low159 Ų159125.2 Ų125.274%0.74376%0.758SS**  80.8141.2100.888.6-175.879.400116.8
506N30.2Very low32.8Very low116 Ų116127.5 Ų127.562%0.6277%0.769SS**  trans61.5112160.2-46.9-28.4000120.7
507D35.1Very low32.3Very low146 Ų146127.3 Ų127.378%0.78177%0.768SS**  -175136.8100.9-87.7-18000108.4
508L31.5Very low31.9Very low138 Ų138122.6 Ų122.672%0.72376%0.759SS**  cis101.314030.7-79175.2000113.9
509L33.6Very low31.6Very low152 Ų152123.6 Ų123.680%0.79676%0.755SS**  trans74.6142.7172.5-45.2-178.4000116
510D30Very low31.3Very low130 Ų130126.1 Ų126.170%0.69575%0.753SS**  cis-159.4163.5-8.5-136.2-41.1000115.7
511S35.1Very low30.9Very low97 Ų97128.9 Ų128.968%0.67876%0.755SS**  trans55.496.7140.8-72.20000124.2
512S27.9Very low31Very low128 Ų128127 Ų12790%0.89576%0.755SS**  -0.4144.9126.5-48.70000122.9
513G30.6Very low30.7Very low80 Ų80128.4 Ų128.483%0.82575%0.75SS**  trans118.9155155.900000114.8
514S32.3Very low30.6Very low115 Ų115131.8 Ų131.880%0.80475%0.75SS**  cis-163.8161.8-11.1-176.60000110.1
515Q27.5Very low30.4Very low153 Ų153133 Ų13372%0.71575%0.749SS**  trans-32.9150.8175.6-58.2172-28.700118.4
516I32.1Very low30.6Very low177 Ų177130.8 Ų130.891%0.90875%0.751SS**  -166.8148.4126.8-101155000111.5
517S29.1Very low30.7Very low97 Ų97129.6 Ų129.668%0.67876%0.757SS**  trans-108.3164.6-178.656.70000113.3
518C25.8Very low30.5Very low108 Ų108130.4 Ų130.473%0.7376%0.762SS**  152.4102.2126.7-81.30000116.9
519S28.7Very low30.7Very low97 Ų97128.4 Ų128.468%0.67877%0.765SS**  67.8148.5114.782.50000124.3
520R29.7Very low30.5Very low202 Ų202130.6 Ų130.676%0.76277%0.768SS**  trans79.7115.9155.2-58.2-168.984.2159.610.5117
521E25.5Very low30.6Very low153 Ų153129.7 Ų129.772%0.71577%0.772SS**  97.1100.560.6-85.5-173.8138.700112.5
522S35.3Very low30.3Very low120 Ų120129.8 Ų129.884%0.83977%0.769SS**  trans-162.391.515163.70000113.5
523H28.3Very low30.5Very low158 Ų158131.2 Ų131.273%0.73177%0.766SS**  trans2136138.6-137.2-83.8000119D525H523-D525 IonicContact CE1-OD1 2.7Å; H523-D525 IonicContact ND1-OD1 2.86Å
524L31.5Very low30.4Very low148 Ų148130.8 Ų130.878%0.77576%0.762SS**  170107.4116.5-87.2162.6000114.9
525D29.2Very low30.2Very low120 Ų120133.4 Ų133.464%0.64277%0.765SS**  trans67.9141.3130.5-60.710000126.2H523H523-D525 IonicContact CE1-OD1 2.7Å; H523-D525 IonicContact ND1-OD1 2.86Å
526S34Very low30.2Very low112 Ų112133.1 Ų133.178%0.78377%0.769SS**  trans66.8105.3162.7-59.80000118.5
527A31.2Very low29.9Very low91 Ų91129.7 Ų129.775%0.75277%0.767SS**  74127.168.300000112.2
528D32Very low29.8Very low163 Ų163131.1 Ų131.187%0.87277%0.772SS**  -151.6179.355.1-127.6-32.4000115.5
529A34.9Very low29.9Very low95 Ų95135.6 Ų135.679%0.78578%0.782SS**  trans73.870.816500000120.1
530F30.2Very low29.9Very low199 Ų199136.2 Ų136.287%0.87379%0.786SS**  trans-64.9159.1154.2-95.2-107.5000113.1
531S31.5Very low30Very low110 Ų110136 Ų13677%0.76979%0.791SS**  142.3143.7129.8-64.90000114.4
532T30Very low30.4Very low100 Ų100131.6 Ų131.661%0.61379%0.786SS**  cis-165.4165.6-36.7-17.60000108.7
533D30.1Very low30.8Very low157 Ų157132 Ų13284%0.8477%0.769SS**  trans62.5152.2151.4-56.7-36.6000121.2
534G29.5Very low31.9Very low72 Ų72125.8 Ų125.874%0.74274%0.743SS**  trans152.218.9165.100000119.9N536G534-N536 PolarHBondContact O-N 2.68Å; G534-N536 VanDerWaalsContact O-N 3.14Å
535I28.2Very low33Very low170 Ų170121.6 Ų121.687%0.87273%0.726SS**  trans-59.5119.2179.8-61172.4000111
536N27.1Very low34.8Very low147 Ų147120.2 Ų120.279%0.78671%0.714SS**  trans-155.8109.6158.6-97.5-47.2000110.1G534 T538G534-N536 PolarHBondContact O-N 2.68Å; G534-N536 VanDerWaalsContact O-N 3.14Å; N536-T538 PolarHBondContact O-N 2.83Å
537A25.8Very low36.2Very low104 Ų104117.4 Ų117.486%0.8670%0.695SS**  trans-71.4122.617300000109.8
538T28.4Very low37.9Very low128 Ų128116.5 Ų116.579%0.78568%0.677SS**  trans-134.2130.4167.540.90000108.8N536 S540N536-T538 PolarHBondContact O-N 2.83Å; T538-S540 PolarHBondContact O-N 3.5Å
539E26.5Very low39.6Very low202 Ų202109.6 Ų109.694%0.94464%0.639SS**  trans-71.8100.1-167.4-62.6171.6132.100111.1
540S29.4Very low41.2Very low109 Ų109106.1 Ų106.176%0.76261%0.607SS**  trans-63.6141.2162.170.30000109.3T538 G542T538-S540 PolarHBondContact O-N 3.5Å; S540-G542 PolarHBondContact O-N 2.72Å
541K31.3Very low43Very low199 Ų19999.3 Ų99.387%0.86558%0.584SS**  trans-72.176.8175.3-69-178.1177.5-178.40109.5
542G33.3Very low44.9Very low60 Ų6094.1 Ų94.162%0.61955%0.548SS*.PPolyproline II helixtrans-62.7132.6-174.500000112.1S540S540-G542 PolarHBondContact O-N 2.72Å
543R44.6Very low47.2Very low128 Ų12889.4 Ų89.448%0.48352%0.519SS..PPolyproline II helixtrans-56.4131.9166.5-166.9-172.5-152.3147-1.7108.3E607 L608R543-E607 IonicContact CZ-OE1 3.08Å; R543-E607 VanDerWaalsContact NH1-CD 3.34Å; R543-E607 IonicContact NH1-OE1 2.82Å; R543-E607 PolarHBondContact NH1-OE1 3.32Å; R543-E607 IonicContact NH2-OE1 3.18Å; R543-E607 PolarHBondContact NH2-OE1 2.89Å; R543-L608 PolarHBondContact NH2-O 2.94Å
544P50.9Low49.3Very low27 Ų2784.3 Ų84.318%0.17549%0.488CS..PPolyproline II helixtrans-58.8144.7176.323.8-32.5000110.3L548 I549 W974P544-L548 HydrophobicContact CB-CD2 3.96Å; P544-I549 HydrophobicContact CB-CG1 4.16Å; P544-I549 HydrophobicContact CG-CD1 4.1Å; P544-I549 HydrophobicContact CG-CG1 3.88Å; P544-W974 HydrophobicContact CB-CB 4.24Å; P544-W974 HydrophobicContact CG-CB 3.97Å; P544-W974 HydrophobicContact CG-CD2 4.45Å; P544-W974 HydrophobicContact CG-CG 3.9Å
545S55.4Low51.2Low60 Ų6088 Ų8842%0.4248%0.484SS..PPolyproline II helixtrans-59.9152.6-17964.90000111.4S547 L548 I549S545-S547 PolarHBondContact O-N 3.41Å; S545-S547 PolarHBondContact OG-OG 2.68Å; S545-S547 VanDerWaalsContact OG-OG 3.05Å; S545-L548 PolarHBondContact O-N 2.92Å; S545-L548 WeakPolarHBondContact OG-CB 3.34Å; S545-L548 PolarHBondContact OG-N 3.11Å; S545-I549 WeakPolarHBondContact O-CG1 3.48Å; S545-I549 PolarHBondContact O-N 2.81Å
546K66.6Low53.2Low92 Ų9282 Ų8240%0.446%0.457SS..Hα-helixtrans-56.1-37.1177.3-71-164.7176.8-166.80111.6I549 Q550 L604 M605 D606K546-I549 PolarHBondContact O-N 3.4Å; K546-Q550 WeakPolarHBondContact O-CB 3.21Å; K546-Q550 WeakPolarHBondContact O-CG 3.39Å; K546-Q550 PolarHBondContact O-N 2.81Å; K546-L604 WeakPolarHBondContact CD-O 3.38Å; K546-L604 PolarHBondContact NZ-O 2.76Å; K546-M605 PolarHBondContact NZ-O 2.79Å; K546-D606 PolarHBondContact NZ-O 2.75Å
547S62.4Low55.5Low53 Ų5375.2 Ų75.237%0.37142%0.421SS..Hα-helixtrans-65-41.9174.851.90000113.6S545 Q550 S551S545-S547 PolarHBondContact O-N 3.41Å; S545-S547 PolarHBondContact OG-OG 2.68Å; S545-S547 VanDerWaalsContact OG-OG 3.05Å; S547-Q550 PolarHBondContact O-N 2.98Å; S547-S551 WeakPolarHBondContact O-CB 3.3Å; S547-S551 PolarHBondContact O-N 3.39Å; S547-S551 PolarHBondContact O-OG 3.03Å
548L67.6Low58.3Low71 Ų7174.2 Ų74.237%0.37241%0.405SS..Hα-helixtrans-67.4-38.5176.1-176.364.2000111.5P544 S545 S552P544-L548 HydrophobicContact CB-CD2 3.96Å; S545-L548 PolarHBondContact O-N 2.92Å; S545-L548 WeakPolarHBondContact OG-CB 3.34Å; S545-L548 PolarHBondContact OG-N 3.11Å; L548-S552 VanDerWaalsContact O-CB 3.26Å; L548-S552 WeakPolarHBondContact O-CB 3.44Å; L548-S552 PolarHBondContact O-N 2.75Å; L548-S552 PolarHBondContact O-OG 2.74Å
549I68.8Low61.1Low18 Ų1869.2 Ų69.29%0.09238%0.38CS..Hα-helixtrans-61.4-51.6173-69.1171.3000110.5P544 S545 K546 S552 L553 L613P544-I549 HydrophobicContact CB-CG1 4.16Å; P544-I549 HydrophobicContact CG-CD1 4.1Å; P544-I549 HydrophobicContact CG-CG1 3.88Å; S545-I549 WeakPolarHBondContact O-CG1 3.48Å; S545-I549 PolarHBondContact O-N 2.81Å; K546-I549 PolarHBondContact O-N 3.4Å; I549-S552 WeakPolarHBondContact O-CB 3.09Å; I549-S552 PolarHBondContact O-N 2.71Å; I549-L553 HydrophobicContact CG2-CD1 3.68Å; I549-L553 HydrophobicContact CG2-CG 4.38Å; I549-L553 WeakPolarHBondContact O-CB 3.5Å; I549-L553 VanDerWaalsContact O-CG 3.31Å; I549-L553 WeakPolarHBondContact O-CG 3.4Å; I549-L553 PolarHBondContact O-N 2.8Å; I549-L613 HydrophobicContact CD1-CD1 4.26Å; I549-L613 HydrophobicContact CG2-CD1 3.56Å
550Q68.7Low64.2Low22 Ų2259.6 Ų59.610%0.10334%0.335CS..Hα-helixtrans-61.9-46.5-178.2-74.316511.700111.9K546 S547 S552 L553 R554 L603 L604K546-Q550 WeakPolarHBondContact O-CB 3.21Å; K546-Q550 WeakPolarHBondContact O-CG 3.39Å; K546-Q550 PolarHBondContact O-N 2.81Å; S547-Q550 PolarHBondContact O-N 2.98Å; Q550-S552 PolarHBondContact O-N 3.17Å; Q550-L553 PolarHBondContact O-N 3.17Å; Q550-R554 PolarHBondContact O-N 3.1Å; Q550-L603 HydrophobicContact CG-CB 4Å; Q550-L603 PolarHBondContact NE2-O 2.87Å; Q550-L604 VanDerWaalsContact NE2-CD2 3.28Å
551S67.7Low67Low57 Ų5760.1 Ų60.140%0.39933%0.325SS..Hα-helixtrans-59.6-46.3175-55.40000111S547 L553 R554 F555S547-S551 WeakPolarHBondContact O-CB 3.3Å; S547-S551 PolarHBondContact O-N 3.39Å; S547-S551 PolarHBondContact O-OG 3.03Å; S551-L553 VanDerWaalsContact C-N 3.31Å; S551-L553 PolarHBondContact O-N 2.78Å; S551-R554 PolarHBondContact O-N 3.25Å; S551-F555 WeakPolarHBondContact O-CB 3.48Å; S551-F555 WeakPolarHBondContact O-CD2 3.42Å; S551-F555 PolarHBondContact O-N 3.26Å
552S71.5Confident69.9Low1 Ų153.8 Ų53.81%0.00730%0.303CS..Hα-helixtrans-58.2-42175.2-61.60000112.1L548 I549 Q550 C556L548-S552 VanDerWaalsContact O-CB 3.26Å; L548-S552 WeakPolarHBondContact O-CB 3.44Å; L548-S552 PolarHBondContact O-N 2.75Å; L548-S552 PolarHBondContact O-OG 2.74Å; I549-S552 WeakPolarHBondContact O-CB 3.09Å; I549-S552 PolarHBondContact O-N 2.71Å; Q550-S552 PolarHBondContact O-N 3.17Å; S552-C556 WeakPolarHBondContact O-CB 3.18Å; S552-C556 PolarHBondContact O-N 3.02Å; S552-C556 PolarHBondContact O-SG 2.72Å
553L77.2Confident72.9Confident0 Ų051 Ų510%027%0.274CS..Hα-helixtrans-76.4-32.2-177.6-69171.3000113.3I549 Q550 S551 N560 L603 L613 P616 R617 W974I549-L553 HydrophobicContact CG2-CD1 3.68Å; I549-L553 HydrophobicContact CG2-CG 4.38Å; I549-L553 WeakPolarHBondContact O-CB 3.5Å; I549-L553 VanDerWaalsContact O-CG 3.31Å; I549-L553 WeakPolarHBondContact O-CG 3.4Å; I549-L553 PolarHBondContact O-N 2.8Å; Q550-L553 PolarHBondContact O-N 3.17Å; S551-L553 VanDerWaalsContact C-N 3.31Å; S551-L553 PolarHBondContact O-N 2.78Å; L553-N560 WeakPolarHBondContact O-CB 3.22Å; L553-N560 PolarHBondContact O-ND2 2.89Å; L553-L603 HydrophobicContact CD1-CD2 3.88Å; L553-L613 HydrophobicContact CD1-CD2 3.75Å; L553-P616 HydrophobicContact CD2-CB 4.05Å; L553-R617 HydrophobicContact CD2-CB 3.93Å; L553-W974 HydrophobicContact CD2-CZ3 4.49Å
554R73.6Confident75.3Confident50 Ų5044.9 Ų44.919%0.18925%0.251CS..Hα-helixtrans-69.8-40.6172.8-71.5-174.7-176.7167.37.6111.4Q550 S551 D570 E572Q550-R554 PolarHBondContact O-N 3.1Å; S551-R554 PolarHBondContact O-N 3.25Å; R554-D570 IonicContact CZ-OD1 3.56Å; R554-D570 VanDerWaalsContact CZ-OD1 3.23Å; R554-D570 IonicContact NE-OD1 3.57Å; R554-D570 IonicContact NH1-OD1 3.8Å; R554-D570 PolarHBondContact NH1-OD1 3.12Å; R554-E572 IonicContact NH2-OE1 3.05Å
555F70.3Confident77.4Confident150 Ų15043.6 Ų43.666%0.65824%0.243SC*.Hα-helixtrans-94.6-24.8-174.8-60.6-55.3000116.3S551S551-F555 WeakPolarHBondContact O-CB 3.48Å; S551-F555 WeakPolarHBondContact O-CD2 3.42Å; S551-F555 PolarHBondContact O-N 3.26Å
556C70.3Confident79.2Confident45 Ų4541.1 Ų41.130%0.30423%0.225SC..Hα-helixtrans-78.4-23.2-178.7-71.80000114.6S552S552-C556 WeakPolarHBondContact O-CB 3.18Å; S552-C556 PolarHBondContact O-N 3.02Å; S552-C556 PolarHBondContact O-SG 2.72Å
557A75.5Confident80.4Confident3 Ų338.3 Ų38.33%0.02522%0.222CC..SBendtrans-126.3116.2-172.400000110.9N560A557-N560 WeakPolarHBondContact O-CB 3.19Å; A557-N560 PolarHBondContact O-N 2.95Å
558P84.7Confident81.7Confident83 Ų8339 Ų3954%0.53922%0.217SC..THydrogen-bonded Turntrans-58.3142.6-170.8-28.135.7000115.1N560 Q622P558-N560 VanDerWaalsContact C-N 3.29Å; P558-N560 PolarHBondContact O-N 3.27Å; P558-Q622 HydrophobicContact CB-CB 4.06Å; P558-Q622 WeakPolarHBondContact O-CB 3.47Å; P558-Q622 PolarHBondContact O-N 2.93Å
559G87.3Confident82.8Confident24 Ų2439.5 Ų39.525%0.24723%0.225CC..THydrogen-bonded Turntrans80.4-4.4-179.500000115.5E561 V562 N621G559-E561 PolarHBondContact O-N 3.4Å; G559-E561 VanDerWaalsContact O-N 3.16Å; G559-V562 PolarHBondContact O-N 2.79Å; G559-V562 VanDerWaalsContact O-O 3.08Å; G559-N621 WeakPolarHBondContact O-CB 3.26Å
560N91Very high83.6Confident0 Ų042.6 Ų42.60%024%0.241CC..THydrogen-bonded Turntrans-67.4-9.7178.4-82.44.4000114.4L553 A557 P558 V562 P571 L581 P616 G620 N621L553-N560 WeakPolarHBondContact O-CB 3.22Å; L553-N560 PolarHBondContact O-ND2 2.89Å; A557-N560 WeakPolarHBondContact O-CB 3.19Å; A557-N560 PolarHBondContact O-N 2.95Å; P558-N560 VanDerWaalsContact C-N 3.29Å; P558-N560 PolarHBondContact O-N 3.27Å; N560-V562 PolarHBondContact O-N 2.84Å; N560-P571 WeakPolarHBondContact O-CD 3.24Å; N560-P571 WeakPolarHBondContact O-CG 3.28Å; N560-L581 HydrophobicContact CB-CD1 3.81Å; N560-L581 HydrophobicContact CB-CG 4.31Å; N560-P616 PolarHBondContact ND2-O 3.23Å; N560-G620 WeakPolarHBondContact OD1-CA 3.41Å; N560-N621 PolarHBondContact OD1-N 2.85Å
561E88.5Confident84.7Confident120 Ų12041.6 Ų41.656%0.56124%0.237SC*.THydrogen-bonded Turntrans-65.9-19.2170.7-64.5173.4-148.600113.3G559 P569 D570 P571G559-E561 PolarHBondContact O-N 3.4Å; G559-E561 VanDerWaalsContact O-N 3.16Å; E561-P569 CarbonylContact O-C 3.52Å; E561-P569 WeakPolarHBondContact O-CA 3.41Å; E561-D570 PolarHBondContact O-N 3.25Å; E561-P571 WeakPolarHBondContact O-CD 3.32Å
562V92.6Very high85.7Confident65 Ų6541.7 Ų41.739%0.39423%0.231SC..BIsolated β-bridgetrans-134.1141.2-178.6-67.20000112.1G559 N560 A564 N621G559-V562 PolarHBondContact O-N 2.79Å; G559-V562 VanDerWaalsContact O-O 3.08Å; N560-V562 PolarHBondContact O-N 2.84Å; V562-A564 PolarHBondContact O-N 3.35Å; V562-N621 PolarHBondContact O-ND2 2.91Å
563C94.9Very high86.8Confident1 Ų142.8 Ų42.81%0.00724%0.235CC..  trans-53.1129179.4171.60000112.4D565 C566 G567 R568 P571 C583 C586C563-D565 PolarHBondContact O-N 3.34Å; C563-C566 PolarHBondContact O-N 2.58Å; C563-G567 PolarHBondContact O-N 2.86Å; C563-R568 HydrophobicContact CB-CB 4.32Å; C563-R568 WeakPolarHBondContact CB-O 3.16Å; C563-R568 PolarHBondContact N-O 3.48Å; C563-P571 HydrophobicContact CB-CB 4.3Å; C563-C583 HydrophobicContact CB-CB 4.11Å; C563-C583 PolarHBondContact SG-N 3.01Å; C563-C586 VanDerWaalsContact SG-SG 3.65Å
564A95Very high87.5Confident1 Ų142.8 Ų42.81%0.00824%0.235CC..THydrogen-bonded Turntrans-51.6-32.3-175.800000114.2V562 I580 L581 I582 N621 N625 K637 K661V562-A564 PolarHBondContact O-N 3.35Å; A564-I580 HydrophobicContact CB-CB 4.21Å; A564-I580 HydrophobicContact CB-CD1 4.15Å; A564-L581 PolarHBondContact N-O 2.81Å; A564-I582 HydrophobicContact CB-CG2 4.05Å; A564-N621 HydrophobicContact CB-CB 4.28Å; A564-N621 PolarHBondContact N-ND2 2.95Å; A564-N625 PolarHBondContact O-ND2 3.23Å; A564-K637 WeakPolarHBondContact O-CE 3.22Å; A564-K637 PolarHBondContact O-NZ 2.8Å; A564-K661 PolarHBondContact O-NZ 3.04Å; A564-K661 VanDerWaalsContact O-NZ 3.12Å
565D95.8Very high88.6Confident0 Ų040.4 Ų40.40%023%0.226CC..THydrogen-bonded Turntrans-110-18.7-168.4-43.3-65.3000114.9C563 I582 H590 K637 F657 I658 K661 Y662C563-D565 PolarHBondContact O-N 3.34Å; D565-I582 WeakPolarHBondContact OD2-CG2 3.49Å; D565-H590 IonicContact OD2-NE2 2.7Å; D565-H590 PolarHBondContact OD2-NE2 2.96Å; D565-K637 WeakPolarHBondContact O-CE 3.44Å; D565-K637 VanDerWaalsContact O-CG 3.25Å; D565-K637 WeakPolarHBondContact O-CG 3.38Å; D565-F657 HydrophobicContact CB-CD1 4.45Å; D565-F657 HydrophobicContact CB-CE1 4.13Å; D565-F657 WeakPolarHBondContact O-CE1 3.33Å; D565-I658 HydrophobicContact CB-CD1 4.29Å; D565-I658 HydrophobicContact CB-CG1 4.1Å; D565-K661 IonicContact OD1-NZ 2.85Å; D565-K661 PolarHBondContact OD1-NZ 2.93Å; D565-Y662 VanDerWaalsContact OD1-CE2 3.27Å; D565-Y662 WeakPolarHBondContact OD1-CE2 3.2Å; D565-Y662 PolarHBondContact OD1-OH 2.89Å
566C93Very high89.7Confident7 Ų733.6 Ų33.65%0.04720%0.196CC..THydrogen-bonded Turntrans-137.60.4-178.172.40000115.7C563 R568 P638 A640 R654C563-C566 PolarHBondContact O-N 2.58Å; C566-R568 PolarHBondContact O-N 3.23Å; C566-R568 VanDerWaalsContact O-N 3.1Å; C566-P638 WeakPolarHBondContact CA-O 3.32Å; C566-P638 HydrophobicContact CB-CG 4.3Å; C566-P638 VanDerWaalsContact CB-O 3.26Å; C566-P638 WeakPolarHBondContact CB-O 3.45Å; C566-A640 PolarHBondContact O-N 3.42Å; C566-R654 PolarHBondContact SG-NH1 2.82Å; C566-R654 VanDerWaalsContact SG-NH1 3.37Å
567G91.6Very high90.8Very high34 Ų3431.5 Ų31.535%0.35118%0.182SC..  trans69.33177.900000115.9C563C563-G567 PolarHBondContact O-N 2.86Å
568R91Very high91.8Very high67 Ų6731.5 Ų31.525%0.25318%0.182SC..  trans-57.2128173.2-177175.4-73175.93.4109.6C563 C566 C583 E585 A640 S643C563-R568 HydrophobicContact CB-CB 4.32Å; C563-R568 WeakPolarHBondContact CB-O 3.16Å; C563-R568 PolarHBondContact N-O 3.48Å; C566-R568 PolarHBondContact O-N 3.23Å; C566-R568 VanDerWaalsContact O-N 3.1Å; R568-C583 HydrophobicContact CB-CB 4.34Å; R568-E585 VanDerWaalsContact CZ-CD 3.47Å; R568-E585 IonicContact CZ-OE1 3.91Å; R568-E585 VanDerWaalsContact CZ-OE1 3.23Å; R568-E585 IonicContact CZ-OE2 2.58Å; R568-E585 VanDerWaalsContact CZ-OE2 3.24Å; R568-E585 IonicContact NH1-OE1 2.59Å; R568-E585 PolarHBondContact NH1-OE1 3.17Å; R568-E585 IonicContact NH1-OE2 3.82Å; R568-E585 PolarHBondContact NH1-OE2 2.89Å; R568-E585 IonicContact NH2-OE1 2.72Å; R568-E585 PolarHBondContact NH2-OE1 2.86Å; R568-E585 IonicContact NH2-OE2 2.69Å; R568-E585 PolarHBondContact NH2-OE2 2.83Å; R568-A640 HydrophobicContact CB-CB 3.7Å; R568-A640 HydrophobicContact CG-CB 4.27Å; R568-A640 PolarHBondContact NE-O 2.86Å; R568-A640 PolarHBondContact NH2-O 3.26Å; R568-S643 PolarHBondContact NH2-OG 2.83Å
569P89.6Confident92.2Very high82 Ų8227.5 Ų27.553%0.53216%0.156SC..BIsolated β-bridgetrans-63163.6-178.926.4-35.9000112.9E561E561-P569 CarbonylContact O-C 3.52Å; E561-P569 WeakPolarHBondContact O-CA 3.41Å
570D86.1Confident92.6Very high83 Ų8326.4 Ų26.444%0.44414%0.144SC..SBendtrans49.857.8174.7-69-64.2000114.5R554 E561 E572R554-D570 IonicContact CZ-OD1 3.56Å; R554-D570 VanDerWaalsContact CZ-OD1 3.23Å; R554-D570 IonicContact NE-OD1 3.57Å; R554-D570 IonicContact NH1-OD1 3.8Å; R554-D570 PolarHBondContact NH1-OD1 3.12Å; E561-D570 PolarHBondContact O-N 3.25Å; D570-E572 PolarHBondContact O-N 2.8Å
571P90.7Very high92.8Very high1 Ų126.4 Ų26.41%0.00614%0.144CC..  trans-63.2124.3176.628.5-36.2000112.1N560 E561 C563 L581 I582N560-P571 WeakPolarHBondContact O-CD 3.24Å; N560-P571 WeakPolarHBondContact O-CG 3.28Å; E561-P571 WeakPolarHBondContact O-CD 3.32Å; C563-P571 HydrophobicContact CB-CB 4.3Å; P571-L581 HydrophobicContact CB-CB 3.76Å; P571-L581 HydrophobicContact CG-CB 3.54Å; P571-L581 HydrophobicContact CG-CD1 4.34Å; P571-I582 VanDerWaalsContact CB-C 3.48Å; P571-I582 WeakPolarHBondContact CB-O 3.28Å
572E89.7Confident93.1Very high58 Ų5820.7 Ų20.727%0.27112%0.117SC..  trans-103.4-7-175.9-74.2160.7-179.300114M427 R554 D570 L603 L604M427-E572 WeakPolarHBondContact CE-OE1 3.39Å; R554-E572 IonicContact NH2-OE1 3.05Å; D570-E572 PolarHBondContact O-N 2.8Å; E572-L603 WeakPolarHBondContact O-CB 3.4Å; E572-L603 WeakPolarHBondContact O-CG 3.27Å; E572-L603 PolarHBondContact O-N 2.75Å; E572-L604 HydrophobicContact CB-CD1 4.04Å; E572-L604 HydrophobicContact CG-CD1 3.66Å; E572-L604 WeakPolarHBondContact OE2-CD1 3.37Å
573W93.5Very high93.2Very high25 Ų2518 Ų1810%0.09510%0.101CC..EExtended strand (participates in β ladder)trans-105.9146.5176.2-6480.8000109.9L581 I582 L584 C587 Q601 M605W573-L581 CarbonylContact O-C 3.44Å; W573-L581 VanDerWaalsContact O-CA 3.26Å; W573-L581 WeakPolarHBondContact O-CA 3.37Å; W573-I582 HydrophobicContact CB-CG1 3.84Å; W573-I582 WeakPolarHBondContact CB-O 3.14Å; W573-I582 PolarHBondContact N-O 3.14Å; W573-I582 PolarHBondContact O-N 2.75Å; W573-L584 HydrophobicContact CZ2-CD1 3.6Å; W573-C587 HydrophobicContact CB-CB 3.97Å; W573-C587 HydrophobicContact CD2-CB 3.95Å; W573-C587 HydrophobicContact CE3-CB 4.38Å; W573-C587 HydrophobicContact CG-CB 3.76Å; W573-Q601 CarbonylContact C-O 3.5Å; W573-Q601 WeakPolarHBondContact CA-O 3.48Å; W573-Q601 VanDerWaalsContact CE3-C 3.45Å; W573-M605 HydrophobicContact CH2-CE 3.4Å; W573-M605 HydrophobicContact CZ2-CE 3.32Å; W573-M605 HydrophobicContact CZ3-CE 4.46Å
574V93.7Very high93.1Very high0 Ų023.3 Ų23.30%013%0.129CC..EExtended strand (participates in β ladder)trans-124.6133.5-177.257.10000110.1V576 I580 L581 T600 Q601 L603 L608 P616V574-V576 HydrophobicContact CG1-CG1 3.93Å; V574-V576 HydrophobicContact CG2-CG1 4.08Å; V574-I580 WeakPolarHBondContact CA-O 3.45Å; V574-L581 HydrophobicContact CB-CD2 3.67Å; V574-L581 HydrophobicContact CG2-CD2 3.75Å; V574-T600 CarbonylContact O-C 3.54Å; V574-T600 VanDerWaalsContact O-CA 3.31Å; V574-T600 WeakPolarHBondContact O-CA 3.06Å; V574-Q601 HydrophobicContact CG1-CB 4.21Å; V574-Q601 WeakPolarHBondContact CG1-O 3.49Å; V574-Q601 PolarHBondContact N-O 2.87Å; V574-Q601 PolarHBondContact O-N 2.83Å; V574-L603 HydrophobicContact CB-CD2 3.97Å; V574-L603 HydrophobicContact CB-CG 4.37Å; V574-L603 HydrophobicContact CG1-CD2 3.7Å; V574-L603 HydrophobicContact CG1-CG 4.29Å; V574-L608 HydrophobicContact CG1-CD1 4.12Å; V574-P616 HydrophobicContact CG2-CB 3.89Å; V574-P616 HydrophobicContact CG2-CG 3.29Å
575S96Very high92.8Very high0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans-92.6101165.1-176.90000108.7N577 L578 G579 I580 S598 R599S575-N577 VanDerWaalsContact C-N 3.34Å; S575-N577 PolarHBondContact O-N 3.38Å; S575-N577 PolarHBondContact OG-OD1 2.9Å; S575-L578 PolarHBondContact O-N 2.87Å; S575-G579 PolarHBondContact O-N 3.44Å; S575-I580 PolarHBondContact N-O 3.38Å; S575-S598 PolarHBondContact OG-OG 2.84Å; S575-R599 WeakPolarHBondContact CA-O 3.36Å
576V93.1Very high92.8Very high6 Ų625.1 Ų25.14%0.03614%0.137CC..THydrogen-bonded Turntrans-71.4-25.7-165.7-61.40000113.8V574 R599 Q612 L615 Q827V574-V576 HydrophobicContact CG1-CG1 3.93Å; V574-V576 HydrophobicContact CG2-CG1 4.08Å; V576-R599 HydrophobicContact CG2-CB 3.84Å; V576-R599 PolarHBondContact N-O 2.85Å; V576-Q612 HydrophobicContact CG1-CB 4.21Å; V576-L615 WeakPolarHBondContact O-CD1 3.49Å; V576-Q827 PolarHBondContact O-NE2 3.43Å
577N94Very high92.8Very high1 Ų124.9 Ų24.91%0.00514%0.136CC..THydrogen-bonded Turntrans-81.1-25175.167.2-67.9000113.2S575 Y597 S598 R599 L615 Q827 N828S575-N577 VanDerWaalsContact C-N 3.34Å; S575-N577 PolarHBondContact O-N 3.38Å; S575-N577 PolarHBondContact OG-OD1 2.9Å; N577-Y597 PolarHBondContact ND2-O 3.22Å; N577-S598 WeakPolarHBondContact OD1-CA 3.3Å; N577-R599 PolarHBondContact OD1-N 2.83Å; N577-L615 WeakPolarHBondContact O-CD1 3.28Å; N577-Q827 VanDerWaalsContact CA-OE1 3.32Å; N577-Q827 HydrophobicContact CB-CB 3.84Å; N577-Q827 VanDerWaalsContact CB-OE1 3.32Å; N577-N828 PolarHBondContact ND2-OD1 3.02Å; N577-N828 PolarHBondContact O-ND2 3.33Å; N577-N828 PolarHBondContact O-OD1 3.37Å
578L95.5Very high92.8Very high3 Ų324.6 Ų24.62%0.01613%0.133CC..THydrogen-bonded Turntrans-97.8-18.9-179.3-59.1-177.9000113S575 I580 I619 F624 Y662S575-L578 PolarHBondContact O-N 2.87Å; L578-I580 HydrophobicContact CB-CD1 4.16Å; L578-I580 HydrophobicContact CB-CG1 3.94Å; L578-I580 HydrophobicContact CD1-CD1 4.08Å; L578-I619 VanDerWaalsContact O-CD1 3.32Å; L578-I619 WeakPolarHBondContact O-CD1 3.39Å; L578-F624 HydrophobicContact CB-CD2 4.47Å; L578-F624 HydrophobicContact CB-CE2 3.95Å; L578-F624 HydrophobicContact CB-CZ 4.38Å; L578-F624 HydrophobicContact CD1-CZ 4.27Å; L578-F624 HydrophobicContact CD2-CE2 4.04Å; L578-F624 HydrophobicContact CD2-CZ 4.2Å; L578-F624 HydrophobicContact CG-CE2 4.42Å; L578-F624 WeakPolarHBondContact O-CD2 3.39Å; L578-Y662 HydrophobicContact CD1-CD1 3.75Å; L578-Y662 HydrophobicContact CD1-CE1 3.64Å
579G93.9Very high92.9Very high0 Ų021.5 Ų21.50%012%0.122CC..THydrogen-bonded Turntrans72.930179.500000114.6S575 G620S575-G579 PolarHBondContact O-N 3.44Å; G579-G620 WeakPolarHBondContact O-CA 3.37Å; G579-G620 PolarHBondContact O-N 2.89Å
580I95.9Very high93.1Very high0 Ų017.6 Ų17.60%010%0.096CC..EExtended strand (participates in β ladder)trans-120.1151.8-176.359.9174.9000112.3A564 V574 S575 L578 I582 N621 F624 Y662A564-I580 HydrophobicContact CB-CB 4.21Å; A564-I580 HydrophobicContact CB-CD1 4.15Å; V574-I580 WeakPolarHBondContact CA-O 3.45Å; S575-I580 PolarHBondContact N-O 3.38Å; L578-I580 HydrophobicContact CB-CD1 4.16Å; L578-I580 HydrophobicContact CB-CG1 3.94Å; L578-I580 HydrophobicContact CD1-CD1 4.08Å; I580-I582 HydrophobicContact CD1-CG2 4.28Å; I580-I582 HydrophobicContact CG1-CG2 4.46Å; I580-N621 VanDerWaalsContact CA-OD1 3.24Å; I580-N621 WeakPolarHBondContact CA-OD1 3.41Å; I580-N621 WeakPolarHBondContact CB-OD1 3.2Å; I580-F624 HydrophobicContact CG2-CB 3.39Å; I580-F624 HydrophobicContact CG2-CD1 3.96Å; I580-F624 HydrophobicContact CG2-CD2 3.91Å; I580-F624 HydrophobicContact CG2-CG 3.46Å; I580-F624 VanDerWaalsContact CG2-CG 3.46Å; I580-Y662 HydrophobicContact CD1-CE1 3.97Å; I580-Y662 WeakPolarHBondContact CD1-OH 3.36Å
581L95.1Very high93.5Very high0 Ų019.7 Ų19.70%010%0.098CC..EExtended strand (participates in β ladder)trans-104.1133.8173.1-54.5-168.9000111.7N560 A564 P571 W573 V574 L603 N621N560-L581 HydrophobicContact CB-CD1 3.81Å; N560-L581 HydrophobicContact CB-CG 4.31Å; A564-L581 PolarHBondContact N-O 2.81Å; P571-L581 HydrophobicContact CB-CB 3.76Å; P571-L581 HydrophobicContact CG-CB 3.54Å; P571-L581 HydrophobicContact CG-CD1 4.34Å; W573-L581 CarbonylContact O-C 3.44Å; W573-L581 VanDerWaalsContact O-CA 3.26Å; W573-L581 WeakPolarHBondContact O-CA 3.37Å; V574-L581 HydrophobicContact CB-CD2 3.67Å; V574-L581 HydrophobicContact CG2-CD2 3.75Å; L581-L603 HydrophobicContact CD1-CD1 4.08Å; L581-L603 HydrophobicContact CD2-CD1 3.96Å; L581-N621 PolarHBondContact N-OD1 2.95Å; L581-N621 PolarHBondContact O-ND2 2.85Å; L581-N621 PolarHBondContact O-OD1 2.99Å
582I95.1Very high93.5Very high0 Ų023.7 Ų23.70%012%0.116CC..EExtended strand (participates in β ladder)trans-132.4159.5-176.265.3-176.2000111.2A564 D565 P571 W573 I580 C586 C587 H590 T600A564-I582 HydrophobicContact CB-CG2 4.05Å; D565-I582 WeakPolarHBondContact OD2-CG2 3.49Å; P571-I582 VanDerWaalsContact CB-C 3.48Å; P571-I582 WeakPolarHBondContact CB-O 3.28Å; W573-I582 HydrophobicContact CB-CG1 3.84Å; W573-I582 WeakPolarHBondContact CB-O 3.14Å; W573-I582 PolarHBondContact N-O 3.14Å; W573-I582 PolarHBondContact O-N 2.75Å; I580-I582 HydrophobicContact CD1-CG2 4.28Å; I580-I582 HydrophobicContact CG1-CG2 4.46Å; I582-C586 HydrophobicContact CB-CB 4.05Å; I582-C587 HydrophobicContact CD1-CB 4.13Å; I582-C587 HydrophobicContact CG1-CB 4.33Å; I582-H590 HydrophobicContact CD1-CB 3.97Å; I582-T600 HydrophobicContact CD1-CG2 4.06Å
583C94.3Very high93.6Very high8 Ų822.2 Ų22.25%0.05411%0.11CC..  trans-84.1167.3174.272.40000111.8C563 R568 E585 C586 C587C563-C583 HydrophobicContact CB-CB 4.11Å; C563-C583 PolarHBondContact SG-N 3.01Å; R568-C583 HydrophobicContact CB-CB 4.34Å; C583-E585 VanDerWaalsContact C-N 3.29Å; C583-E585 PolarHBondContact O-N 2.93Å; C583-C586 PolarHBondContact O-N 2.6Å; C583-C586 VanDerWaalsContact O-N 3.14Å; C583-C586 VanDerWaalsContact SG-SG 3.65Å; C583-C587 WeakPolarHBondContact O-CB 3.16Å; C583-C587 PolarHBondContact O-N 3.49Å
584L91.7Very high93.3Very high113 Ų11322.1 Ų22.159%0.59212%0.117SC*.Hα-helixtrans-52.6-41.5-179.2178.262.9000113.8W573 C587 G588W573-L584 HydrophobicContact CZ2-CD1 3.6Å; L584-C587 WeakPolarHBondContact O-CB 3.26Å; L584-C587 PolarHBondContact O-N 3.22Å; L584-G588 PolarHBondContact O-N 3.45Å; L584-G588 VanDerWaalsContact O-N 3.16Å
585E90.4Very high93.1Very high39 Ų3927.2 Ų27.218%0.18215%0.148CC..Hα-helixtrans-66.6-42.3179.4-67.2165.4178.600112.1R568 C583 G588 S643 M651 R654R568-E585 VanDerWaalsContact CZ-CD 3.47Å; R568-E585 IonicContact CZ-OE1 3.91Å; R568-E585 VanDerWaalsContact CZ-OE1 3.23Å; R568-E585 IonicContact CZ-OE2 2.58Å; R568-E585 VanDerWaalsContact CZ-OE2 3.24Å; R568-E585 IonicContact NH1-OE1 2.59Å; R568-E585 PolarHBondContact NH1-OE1 3.17Å; R568-E585 IonicContact NH1-OE2 3.82Å; R568-E585 PolarHBondContact NH1-OE2 2.89Å; R568-E585 IonicContact NH2-OE1 2.72Å; R568-E585 PolarHBondContact NH2-OE1 2.86Å; R568-E585 IonicContact NH2-OE2 2.69Å; R568-E585 PolarHBondContact NH2-OE2 2.83Å; C583-E585 VanDerWaalsContact C-N 3.29Å; C583-E585 PolarHBondContact O-N 2.93Å; E585-G588 PolarHBondContact O-N 2.9Å; E585-S643 VanDerWaalsContact CD-OG 3.24Å; E585-S643 PolarHBondContact OE1-OG 2.78Å; E585-S643 PolarHBondContact OE2-OG 3.45Å; E585-M651 HydrophobicContact CB-SD 4.09Å; E585-M651 HydrophobicContact CG-SD 4.39Å; E585-R654 VanDerWaalsContact CB-NH1 3.33Å; E585-R654 IonicContact OE2-CZ 3.91Å; E585-R654 IonicContact OE2-NH1 3.28Å; E585-R654 PolarHBondContact OE2-NH1 2.81Å; E585-R654 IonicContact OE2-NH2 2.61Å; E585-R654 PolarHBondContact OE2-NH2 2.83Å
586C94.3Very high92.7Very high0 Ų033.5 Ų33.50%018%0.177CC..Hα-helixtrans-70-34.6174.8-64.10000111.3C563 I582 C583 G588 A589 H590 R654 I658C563-C586 VanDerWaalsContact SG-SG 3.65Å; I582-C586 HydrophobicContact CB-CB 4.05Å; C583-C586 PolarHBondContact O-N 2.6Å; C583-C586 VanDerWaalsContact O-N 3.14Å; C583-C586 VanDerWaalsContact SG-SG 3.65Å; C586-G588 VanDerWaalsContact C-N 3.27Å; C586-G588 PolarHBondContact O-N 3.14Å; C586-A589 PolarHBondContact O-N 2.99Å; C586-H590 WeakPolarHBondContact O-CB 3.23Å; C586-H590 PolarHBondContact O-CD2 3.47Å; C586-H590 VanDerWaalsContact O-CD2 3.24Å; C586-H590 PolarHBondContact O-N 3.39Å; C586-R654 PolarHBondContact SG-NH1 3.1Å; C586-I658 HydrophobicContact CB-CD1 3.97Å
587C94Very high92.6Very high2 Ų235.7 Ų35.71%0.01419%0.185CC..Hα-helixtrans-56.6-39.9173.3-179.80000111.9W573 I582 C583 L584 H590 R591W573-C587 HydrophobicContact CB-CB 3.97Å; W573-C587 HydrophobicContact CD2-CB 3.95Å; W573-C587 HydrophobicContact CE3-CB 4.38Å; W573-C587 HydrophobicContact CG-CB 3.76Å; I582-C587 HydrophobicContact CD1-CB 4.13Å; I582-C587 HydrophobicContact CG1-CB 4.33Å; C583-C587 WeakPolarHBondContact O-CB 3.16Å; C583-C587 PolarHBondContact O-N 3.49Å; L584-C587 WeakPolarHBondContact O-CB 3.26Å; L584-C587 PolarHBondContact O-N 3.22Å; C587-H590 PolarHBondContact O-N 3Å; C587-R591 VanDerWaalsContact O-CG 3.3Å; C587-R591 WeakPolarHBondContact O-CG 3.36Å; C587-R591 PolarHBondContact O-N 3.08Å; C587-R591 PolarHBondContact SG-NE 2.96Å; C587-R591 VanDerWaalsContact SG-NE 3.36Å
588G91Very high92.6Very high28 Ų2835.9 Ų35.929%0.28919%0.186SC..Hα-helixtrans-55.7-55.417200000112.6L584 E585 C586 H590 R591 E592L584-G588 PolarHBondContact O-N 3.45Å; L584-G588 VanDerWaalsContact O-N 3.16Å; E585-G588 PolarHBondContact O-N 2.9Å; C586-G588 VanDerWaalsContact C-N 3.27Å; C586-G588 PolarHBondContact O-N 3.14Å; G588-H590 VanDerWaalsContact C-N 3.34Å; G588-H590 PolarHBondContact O-N 3.32Å; G588-R591 WeakPolarHBondContact O-CB 3.16Å; G588-R591 PolarHBondContact O-N 3.31Å; G588-R591 VanDerWaalsContact O-N 3.16Å; G588-E592 PolarHBondContact O-N 2.68Å; G588-E592 VanDerWaalsContact O-N 3.14Å
589A92.4Very high92.5Very high2 Ų239.8 Ų39.82%0.01720%0.201CC..Hα-helixtrans-64.1-34.8178.200000113.3C586 R591 E592 L593 R655 I658C586-A589 PolarHBondContact O-N 2.99Å; A589-R591 VanDerWaalsContact C-N 3.33Å; A589-R591 PolarHBondContact O-N 2.98Å; A589-E592 WeakPolarHBondContact O-CB 3.47Å; A589-E592 PolarHBondContact O-N 3.5Å; A589-L593 PolarHBondContact O-N 2.65Å; A589-R655 HydrophobicContact CB-CG 4.08Å; A589-I658 HydrophobicContact CB-CB 4.37Å; A589-I658 HydrophobicContact CB-CD1 3.64Å; A589-I658 HydrophobicContact CB-CG2 4.16Å
590H95.4Very high92.5Very high0 Ų040.5 Ų40.50%021%0.206CC..Hα-helixtrans-66.2-31.9174.3-88.2-114000113D565 I582 C586 C587 G588 L593 S598 T600 Y662D565-H590 IonicContact OD2-NE2 2.7Å; D565-H590 PolarHBondContact OD2-NE2 2.96Å; I582-H590 HydrophobicContact CD1-CB 3.97Å; C586-H590 WeakPolarHBondContact O-CB 3.23Å; C586-H590 PolarHBondContact O-CD2 3.47Å; C586-H590 VanDerWaalsContact O-CD2 3.24Å; C586-H590 PolarHBondContact O-N 3.39Å; C587-H590 PolarHBondContact O-N 3Å; G588-H590 VanDerWaalsContact C-N 3.34Å; G588-H590 PolarHBondContact O-N 3.32Å; H590-L593 PolarHBondContact O-N 2.93Å; H590-S598 WeakPolarHBondContact ND1-CB 3.37Å; H590-S598 PolarHBondContact ND1-OG 3.35Å; H590-T600 HydrophobicContact CB-CG2 3.51Å; H590-Y662 AromaticContact CE1-CD2 3.85Å; H590-Y662 AromaticContact CE1-CE2 3.32Å; H590-Y662 WeakPolarHBondContact CE1-CE2 3.43Å; H590-Y662 AromaticContact CE1-CZ 3.43Å; H590-Y662 VanDerWaalsContact CE1-CZ 3.43Å; H590-Y662 AromaticContact NE2-CD2 3.84Å; H590-Y662 AromaticContact NE2-CE2 3.19Å; H590-Y662 WeakPolarHBondContact NE2-CE2 3.38Å; H590-Y662 AromaticContact NE2-CZ 3.7Å
591R93.4Very high92.4Very high128 Ų12842.5 Ų42.548%0.48322%0.215SC..Hα-helixtrans-69.8-39.1172.4-71.5168.6-176.7-85.5-4.4111.5C587 G588 A589 L593 G594 T600C587-R591 VanDerWaalsContact O-CG 3.3Å; C587-R591 WeakPolarHBondContact O-CG 3.36Å; C587-R591 PolarHBondContact O-N 3.08Å; C587-R591 PolarHBondContact SG-NE 2.96Å; C587-R591 VanDerWaalsContact SG-NE 3.36Å; G588-R591 WeakPolarHBondContact O-CB 3.16Å; G588-R591 PolarHBondContact O-N 3.31Å; G588-R591 VanDerWaalsContact O-N 3.16Å; A589-R591 VanDerWaalsContact C-N 3.33Å; A589-R591 PolarHBondContact O-N 2.98Å; R591-L593 PolarHBondContact O-N 3.14Å; R591-G594 PolarHBondContact O-N 2.73Å; R591-G594 VanDerWaalsContact O-N 3.08Å; R591-T600 HydrophobicContact CG-CG2 4.33Å; R591-T600 WeakPolarHBondContact CG-OG1 3.41Å; R591-T600 PolarHBondContact NE-OG1 2.98Å; R591-T600 PolarHBondContact NH2-O 2.64Å; R591-T600 PolarHBondContact NH2-OG1 2.83Å
592E90.6Very high92.2Very high84 Ų8442.6 Ų42.639%0.39322%0.215SC..Hα-helixtrans-61.8-23.4175.4-67.9172.9-172.100113.1G588 A589 R655G588-E592 PolarHBondContact O-N 2.68Å; G588-E592 VanDerWaalsContact O-N 3.14Å; A589-E592 WeakPolarHBondContact O-CB 3.47Å; A589-E592 PolarHBondContact O-N 3.5Å; E592-R655 VanDerWaalsContact CD-NE 3.3Å; E592-R655 IonicContact OE1-CZ 3.52Å; E592-R655 IonicContact OE1-NE 3.81Å; E592-R655 PolarHBondContact OE1-NE 2.89Å; E592-R655 IonicContact OE1-NH2 3.57Å; E592-R655 PolarHBondContact OE1-NH2 3.37Å; E592-R655 VanDerWaalsContact OE2-CD 3.24Å; E592-R655 WeakPolarHBondContact OE2-CD 3.33Å; E592-R655 WeakPolarHBondContact OE2-CG 3.18Å; E592-R655 IonicContact OE2-CZ 2.93Å; E592-R655 IonicContact OE2-NE 2.82Å; E592-R655 PolarHBondContact OE2-NE 2.94Å; E592-R655 IonicContact OE2-NH2 3.64Å
593L91.5Very high91.7Very high27 Ų2743 Ų4314%0.14122%0.218CC..Hα-helixtrans-73.4-27.9172.7-56.1-170.7000113.8A589 H590 R591 Y597 I658 K659 Y662 V663A589-L593 PolarHBondContact O-N 2.65Å; H590-L593 PolarHBondContact O-N 2.93Å; R591-L593 PolarHBondContact O-N 3.14Å; L593-Y597 HydrophobicContact CB-CD2 4.25Å; L593-Y597 HydrophobicContact CB-CG 4.47Å; L593-Y597 WeakPolarHBondContact O-CD2 3.32Å; L593-I658 HydrophobicContact CD1-CG2 3.97Å; L593-I658 HydrophobicContact CG-CG2 4.35Å; L593-K659 HydrophobicContact CD2-CB 4.46Å; L593-Y662 HydrophobicContact CD1-CD2 4.36Å; L593-Y662 HydrophobicContact CD1-CG 4.39Å; L593-V663 HydrophobicContact CD1-CG2 4.19Å; L593-V663 HydrophobicContact CD2-CG2 3.83Å; L593-V663 HydrophobicContact CG-CG2 4.46Å
594G88.6Confident91Very high23 Ų2344.2 Ų44.224%0.23722%0.223CC..  trans87.2161.4-175.900000116.1R591 H596 Y597 S598R591-G594 PolarHBondContact O-N 2.73Å; R591-G594 VanDerWaalsContact O-N 3.08Å; G594-H596 PolarHBondContact O-N 2.78Å; G594-Y597 PolarHBondContact O-N 2.92Å; G594-S598 PolarHBondContact O-N 3.44Å; G594-S598 VanDerWaalsContact O-N 3.09Å
595V89.4Confident90.4Very high107 Ų10745 Ų4565%0.64823%0.226SC*.THydrogen-bonded Turntrans-68.5-5-166-59.90000116.3R599V595-R599 HydrophobicContact CB-CG 4.31Å; V595-R599 WeakPolarHBondContact O-CG 3.42Å; V595-R599 PolarHBondContact O-NE 3.02Å
596H86.4Confident90Very high133 Ų13345.9 Ų45.962%0.61623%0.231SC*.THydrogen-bonded Turntrans-92.1-19.2174.456.3-92.2000112.7G594G594-H596 PolarHBondContact O-N 2.78Å
597Y92Very high89.2Confident52 Ų5252.5 Ų52.520%0.20426%0.263CS..THydrogen-bonded Turntrans-97.2-47.1167-69-71.7000111.8N577 L593 G594 V663N577-Y597 PolarHBondContact ND2-O 3.22Å; L593-Y597 HydrophobicContact CB-CD2 4.25Å; L593-Y597 HydrophobicContact CB-CG 4.47Å; L593-Y597 WeakPolarHBondContact O-CD2 3.32Å; G594-Y597 PolarHBondContact O-N 2.92Å; Y597-V663 HydrophobicContact CD1-CG2 4.15Å; Y597-V663 HydrophobicContact CD2-CG2 3.96Å; Y597-V663 HydrophobicContact CE1-CB 4.3Å; Y597-V663 HydrophobicContact CE1-CG1 4.37Å; Y597-V663 HydrophobicContact CE1-CG2 4.05Å; Y597-V663 HydrophobicContact CE2-CG1 4.32Å; Y597-V663 HydrophobicContact CE2-CG2 3.85Å; Y597-V663 HydrophobicContact CG-CG2 4.13Å
598S94.2Very high88.5Confident4 Ų453.1 Ų53.13%0.02827%0.265CS..  trans-148.1134.6-172.4-176.90000113.1S575 N577 H590 G594S575-S598 PolarHBondContact OG-OG 2.84Å; N577-S598 WeakPolarHBondContact OD1-CA 3.3Å; H590-S598 WeakPolarHBondContact ND1-CB 3.37Å; H590-S598 PolarHBondContact ND1-OG 3.35Å; G594-S598 PolarHBondContact O-N 3.44Å; G594-S598 VanDerWaalsContact O-N 3.09Å
599R94Very high88Confident85 Ų8552.2 Ų52.232%0.32126%0.255SS..  trans-11694178.3-61.6179.9-166.4139.88.2109.6S575 V576 N577 V595 Q827S575-R599 WeakPolarHBondContact CA-O 3.36Å; V576-R599 HydrophobicContact CG2-CB 3.84Å; V576-R599 PolarHBondContact N-O 2.85Å; N577-R599 PolarHBondContact OD1-N 2.83Å; V595-R599 HydrophobicContact CB-CG 4.31Å; V595-R599 WeakPolarHBondContact O-CG 3.42Å; V595-R599 PolarHBondContact O-NE 3.02Å; R599-Q827 VanDerWaalsContact CZ-O 3.3Å; R599-Q827 PolarHBondContact NH1-O 3.34Å; R599-Q827 VanDerWaalsContact NH1-O 3.08Å; R599-Q827 PolarHBondContact NH2-O 2.93Å
600T93.8Very high87.3Confident16 Ų1653.3 Ų53.310%0.09826%0.261CS..EExtended strand (participates in β ladder)trans-87.5128.3-173.458.10000112.9V574 I582 H590 R591V574-T600 CarbonylContact O-C 3.54Å; V574-T600 VanDerWaalsContact O-CA 3.31Å; V574-T600 WeakPolarHBondContact O-CA 3.06Å; I582-T600 HydrophobicContact CD1-CG2 4.06Å; H590-T600 HydrophobicContact CB-CG2 3.51Å; R591-T600 HydrophobicContact CG-CG2 4.33Å; R591-T600 WeakPolarHBondContact CG-OG1 3.41Å; R591-T600 PolarHBondContact NE-OG1 2.98Å; R591-T600 PolarHBondContact NH2-O 2.64Å; R591-T600 PolarHBondContact NH2-OG1 2.83Å
601Q92Very high86.6Confident41 Ų4153.4 Ų53.419%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-131.9159.7170.1-59.3-175.5-92.200110.4W573 V574 D606 L608W573-Q601 CarbonylContact C-O 3.5Å; W573-Q601 WeakPolarHBondContact CA-O 3.48Å; W573-Q601 VanDerWaalsContact CE3-C 3.45Å; V574-Q601 HydrophobicContact CG1-CB 4.21Å; V574-Q601 WeakPolarHBondContact CG1-O 3.49Å; V574-Q601 PolarHBondContact N-O 2.87Å; V574-Q601 PolarHBondContact O-N 2.83Å; Q601-D606 VanDerWaalsContact CA-OD2 3.22Å; Q601-D606 WeakPolarHBondContact CA-OD2 3.32Å; Q601-D606 HydrophobicContact CB-CB 4.47Å; Q601-D606 WeakPolarHBondContact CB-OD2 3.31Å; Q601-L608 HydrophobicContact CB-CD2 3.78Å; Q601-L608 HydrophobicContact CG-CD2 4.29Å
602S91.1Very high86.2Confident2 Ų249.3 Ų49.31%0.01425%0.248CC..EExtended strand (participates in β ladder)trans-94.4129.7177.7165.20000110.8L604 M605 D606S602-L604 PolarHBondContact O-N 2.73Å; S602-L604 PolarHBondContact OG-N 3.4Å; S602-L604 VanDerWaalsContact OG-N 3.11Å; S602-M605 PolarHBondContact OG-N 3.46Å; S602-D606 PolarHBondContact N-OD2 3.4Å; S602-D606 WeakPolarHBondContact O-CB 3.39Å; S602-D606 PolarHBondContact O-N 2.75Å
603L85.3Confident86Confident9 Ų945.4 Ų45.45%0.04723%0.23CC..THydrogen-bonded Turntrans-65.7-23.4171.8-60.8179000113.1Q550 L553 E572 V574 L581 L608 L613Q550-L603 HydrophobicContact CG-CB 4Å; Q550-L603 PolarHBondContact NE2-O 2.87Å; L553-L603 HydrophobicContact CD1-CD2 3.88Å; E572-L603 WeakPolarHBondContact O-CB 3.4Å; E572-L603 WeakPolarHBondContact O-CG 3.27Å; E572-L603 PolarHBondContact O-N 2.75Å; V574-L603 HydrophobicContact CB-CD2 3.97Å; V574-L603 HydrophobicContact CB-CG 4.37Å; V574-L603 HydrophobicContact CG1-CD2 3.7Å; V574-L603 HydrophobicContact CG1-CG 4.29Å; L581-L603 HydrophobicContact CD1-CD1 4.08Å; L581-L603 HydrophobicContact CD2-CD1 3.96Å; L603-L608 HydrophobicContact CD2-CD1 3.73Å; L603-L613 HydrophobicContact CD2-CD2 4.27Å
604L80.5Confident85.8Confident33 Ų3344.1 Ų44.117%0.17322%0.223CC..THydrogen-bonded Turntrans-91.3-60.5178.8-75.7160.4000113.4M427 K546 Q550 E572 S602M427-L604 HydrophobicContact CE-CD1 4.2Å; M427-L604 HydrophobicContact SD-CD1 3.45Å; M427-L604 WeakPolarHBondContact SD-CD1 3.4Å; M427-L604 HydrophobicContact SD-CD2 3.75Å; M427-L604 HydrophobicContact SD-CG 4.26Å; K546-L604 WeakPolarHBondContact CD-O 3.38Å; K546-L604 PolarHBondContact NZ-O 2.76Å; Q550-L604 VanDerWaalsContact NE2-CD2 3.28Å; E572-L604 HydrophobicContact CB-CD1 4.04Å; E572-L604 HydrophobicContact CG-CD1 3.66Å; E572-L604 WeakPolarHBondContact OE2-CD1 3.37Å; S602-L604 PolarHBondContact O-N 2.73Å; S602-L604 PolarHBondContact OG-N 3.4Å; S602-L604 VanDerWaalsContact OG-N 3.11Å
605M78.4Confident85.9Confident130 Ų13043 Ų4364%0.6421%0.212SC*.THydrogen-bonded Turntrans-76.8-48.2-172.8-60.9-178.2-71.400113.4K546 W573 S602K546-M605 PolarHBondContact NZ-O 2.79Å; W573-M605 HydrophobicContact CH2-CE 3.4Å; W573-M605 HydrophobicContact CZ2-CE 3.32Å; W573-M605 HydrophobicContact CZ3-CE 4.46Å; S602-M605 PolarHBondContact OG-N 3.46Å
606D82.9Confident85.9Confident57 Ų5738 Ų3831%0.30518%0.181SC..SBendtrans-72.8160.4-173.1-63.4-32.1000112.3K546 Q601 S602 L608K546-D606 PolarHBondContact NZ-O 2.75Å; Q601-D606 VanDerWaalsContact CA-OD2 3.22Å; Q601-D606 WeakPolarHBondContact CA-OD2 3.32Å; Q601-D606 HydrophobicContact CB-CB 4.47Å; Q601-D606 WeakPolarHBondContact CB-OD2 3.31Å; S602-D606 PolarHBondContact N-OD2 3.4Å; S602-D606 WeakPolarHBondContact O-CB 3.39Å; S602-D606 PolarHBondContact O-N 2.75Å; D606-L608 HydrophobicContact CB-CD2 4.18Å
607E77Confident85.8Confident140 Ų14033.6 Ų33.665%0.65416%0.159SC*.  trans-99.190.1178.1-156.2-152.3107.300110.4R543R543-E607 IonicContact CZ-OE1 3.08Å; R543-E607 VanDerWaalsContact NH1-CD 3.34Å; R543-E607 IonicContact NH1-OE1 2.82Å; R543-E607 PolarHBondContact NH1-OE1 3.32Å; R543-E607 IonicContact NH2-OE1 3.18Å; R543-E607 PolarHBondContact NH2-OE1 2.89Å
608L78.6Confident85.5Confident14 Ų1435.2 Ų35.27%0.07317%0.167CC..  trans-84.1147.8-172.2-58.6178.9000112.9R543 V574 Q601 L603 D606 L613R543-L608 PolarHBondContact NH2-O 2.94Å; V574-L608 HydrophobicContact CG1-CD1 4.12Å; Q601-L608 HydrophobicContact CB-CD2 3.78Å; Q601-L608 HydrophobicContact CG-CD2 4.29Å; L603-L608 HydrophobicContact CD2-CD1 3.73Å; D606-L608 HydrophobicContact CB-CD2 4.18Å; L608-L613 HydrophobicContact CB-CD1 4.13Å; L608-L613 HydrophobicContact CB-CD2 4.05Å; L608-L613 HydrophobicContact CB-CG 4.12Å; L608-L613 HydrophobicContact CD1-CD2 3.66Å; L608-L613 HydrophobicContact CG-CD2 4.44Å
609S80.1Confident85.4Confident10 Ų1035.1 Ų35.17%0.0717%0.167CC..  trans-112.8158.917938.40000111.3N611 Q612 L613 N967S609-N611 WeakPolarHBondContact CB-OD1 3.22Å; S609-N611 PolarHBondContact O-N 2.82Å; S609-N611 PolarHBondContact O-OD1 2.71Å; S609-N611 PolarHBondContact OG-OD1 2.95Å; S609-Q612 WeakPolarHBondContact O-CB 3.46Å; S609-Q612 PolarHBondContact O-N 3.13Å; S609-Q612 VanDerWaalsContact O-N 3.11Å; S609-Q612 VanDerWaalsContact OG-CD 3.28Å; S609-Q612 PolarHBondContact OG-OE1 3.19Å; S609-L613 WeakPolarHBondContact O-CG 3.44Å; S609-L613 PolarHBondContact O-N 2.93Å; S609-N967 PolarHBondContact OG-OD1 3.47Å
610T78Confident85.2Confident25 Ų2531.1 Ų31.115%0.15315%0.152CC..THydrogen-bonded Turntrans-68.9-23.6-163.864.70000114.1L614 N967 Q968 L969 W974T610-L614 PolarHBondContact O-N 2.79Å; T610-N967 PolarHBondContact N-O 3.34Å; T610-N967 VanDerWaalsContact N-O 3.07Å; T610-N967 PolarHBondContact OG1-O 3.34Å; T610-Q968 WeakPolarHBondContact OG1-CA 3.47Å; T610-L969 PolarHBondContact OG1-N 3.3Å; T610-W974 HydrophobicContact CG2-CZ2 4.5Å
611N80.3Confident85.3Confident1 Ų130.5 Ų30.51%0.00515%0.148CC..THydrogen-bonded Turntrans-63.9-51.9167.547.97.8000112.8S609 L613 L614 L859 Q862 N967 L969S609-N611 WeakPolarHBondContact CB-OD1 3.22Å; S609-N611 PolarHBondContact O-N 2.82Å; S609-N611 PolarHBondContact O-OD1 2.71Å; S609-N611 PolarHBondContact OG-OD1 2.95Å; N611-L613 PolarHBondContact O-N 3.17Å; N611-L613 VanDerWaalsContact O-N 3.13Å; N611-L614 WeakPolarHBondContact O-CB 3.27Å; N611-L614 PolarHBondContact O-N 2.87Å; N611-L859 HydrophobicContact CB-CD2 3.76Å; N611-Q862 PolarHBondContact ND2-NE2 3.31Å; N611-Q862 PolarHBondContact ND2-OE1 3.12Å; N611-N967 PolarHBondContact ND2-OD1 2.79Å; N611-L969 HydrophobicContact CB-CD1 4.11Å; N611-L969 HydrophobicContact CB-CG 4.34Å
612Q86.1Confident85.3Confident42 Ų4234.4 Ų34.420%0.19617%0.166CC..THydrogen-bonded Turntrans-58.6-27.4176.5-70.1165.3-27.600112.4V576 S609 P616V576-Q612 HydrophobicContact CG1-CB 4.21Å; S609-Q612 WeakPolarHBondContact O-CB 3.46Å; S609-Q612 PolarHBondContact O-N 3.13Å; S609-Q612 VanDerWaalsContact O-N 3.11Å; S609-Q612 VanDerWaalsContact OG-CD 3.28Å; S609-Q612 PolarHBondContact OG-OE1 3.19Å; Q612-P616 WeakPolarHBondContact O-CD 3.48Å
613L86.4Confident85.5Confident2 Ų236.9 Ų36.91%0.0118%0.179CC..THydrogen-bonded Turntrans-94.1-0.2-179.6-58.7179.2000114.1I549 L553 L603 L608 S609 N611 R617 W974I549-L613 HydrophobicContact CD1-CD1 4.26Å; I549-L613 HydrophobicContact CG2-CD1 3.56Å; L553-L613 HydrophobicContact CD1-CD2 3.75Å; L603-L613 HydrophobicContact CD2-CD2 4.27Å; L608-L613 HydrophobicContact CB-CD1 4.13Å; L608-L613 HydrophobicContact CB-CD2 4.05Å; L608-L613 HydrophobicContact CB-CG 4.12Å; L608-L613 HydrophobicContact CD1-CD2 3.66Å; L608-L613 HydrophobicContact CG-CD2 4.44Å; S609-L613 WeakPolarHBondContact O-CG 3.44Å; S609-L613 PolarHBondContact O-N 2.93Å; N611-L613 PolarHBondContact O-N 3.17Å; N611-L613 VanDerWaalsContact O-N 3.13Å; L613-R617 WeakPolarHBondContact O-CB 3.46Å; L613-R617 PolarHBondContact O-N 2.85Å; L613-W974 HydrophobicContact CB-CH2 3.76Å; L613-W974 HydrophobicContact CB-CZ2 4.09Å; L613-W974 HydrophobicContact CD1-CH2 4.29Å
614L86.8Confident86Confident0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-65.9-56.8178.6175.659.6000111.6T610 N611 R617 F618 L819 P820 E823 L859 L969 I972T610-L614 PolarHBondContact O-N 2.79Å; N611-L614 WeakPolarHBondContact O-CB 3.27Å; N611-L614 PolarHBondContact O-N 2.87Å; L614-R617 PolarHBondContact O-N 2.9Å; L614-F618 HydrophobicContact CD1-CD2 3.8Å; L614-F618 HydrophobicContact CD1-CE2 3.78Å; L614-F618 WeakPolarHBondContact O-CD2 3.27Å; L614-F618 PolarHBondContact O-N 2.76Å; L614-L819 HydrophobicContact CD1-CD2 4.45Å; L614-L819 HydrophobicContact CD2-CB 4.43Å; L614-L819 HydrophobicContact CD2-CD2 3.91Å; L614-L819 HydrophobicContact CD2-CG 3.78Å; L614-P820 HydrophobicContact CD1-CG 3.99Å; L614-P820 HydrophobicContact CG-CG 4.49Å; L614-E823 HydrophobicContact CD2-CB 3.73Å; L614-E823 HydrophobicContact CD2-CG 4.07Å; L614-L859 HydrophobicContact CD2-CD1 3.89Å; L614-L969 HydrophobicContact CB-CD1 4.45Å; L614-L969 HydrophobicContact CD2-CD1 4.07Å; L614-I972 HydrophobicContact CB-CD1 4.4Å; L614-I972 HydrophobicContact CD1-CD1 3.9Å
615L90.8Very high86.7Confident1 Ų136 Ų361%0.00517%0.174CC..Hα-helixtrans-62.5-44.2-179.7-61.9-178.9000113.2V576 N577 R617 F618 I619 P820 E823 F824V576-L615 WeakPolarHBondContact O-CD1 3.49Å; N577-L615 WeakPolarHBondContact O-CD1 3.28Å; L615-R617 PolarHBondContact O-N 2.93Å; L615-F618 PolarHBondContact O-N 2.88Å; L615-F618 VanDerWaalsContact O-N 3.13Å; L615-I619 HydrophobicContact CB-CD1 4.16Å; L615-I619 HydrophobicContact CD2-CD1 4.19Å; L615-I619 PolarHBondContact O-N 2.71Å; L615-P820 HydrophobicContact CD2-CB 4.12Å; L615-P820 WeakPolarHBondContact CD2-O 3.45Å; L615-E823 HydrophobicContact CD1-CG 3.93Å; L615-E823 HydrophobicContact CD2-CB 3.95Å; L615-E823 HydrophobicContact CD2-CG 4.08Å; L615-E823 HydrophobicContact CG-CB 4.19Å; L615-E823 HydrophobicContact CG-CG 3.74Å; L615-F824 HydrophobicContact CD1-CB 4.3Å; L615-F824 HydrophobicContact CD1-CD2 4.21Å; L615-F824 HydrophobicContact CD2-CB 3.94Å
616P88.7Confident87.5Confident0 Ų032.9 Ų32.90%017%0.166CC..Hα-helixtrans-58.1-25.8174.5-2735.8000115.2L553 N560 V574 Q612L553-P616 HydrophobicContact CD2-CB 4.05Å; N560-P616 PolarHBondContact ND2-O 3.23Å; V574-P616 HydrophobicContact CG2-CB 3.89Å; V574-P616 HydrophobicContact CG2-CG 3.29Å; Q612-P616 WeakPolarHBondContact O-CD 3.48Å
617R84.3Confident88Confident42 Ų4230.3 Ų30.316%0.15815%0.152CC..Hα-helixtrans-80.8-23.7178-175.8176.7177.7104.19.4113.7L553 L613 L614 L615 W974L553-R617 HydrophobicContact CD2-CB 3.93Å; L613-R617 WeakPolarHBondContact O-CB 3.46Å; L613-R617 PolarHBondContact O-N 2.85Å; L614-R617 PolarHBondContact O-N 2.9Å; L615-R617 PolarHBondContact O-N 2.93Å; R617-W974 VanDerWaalsContact NH1-CE3 3.31Å
618F86.8Confident88.9Confident85 Ų8523.8 Ų23.837%0.37312%0.121SC..Hα-helixtrans-119-19.5-172.6-74.5-85.5000115L614 L615 L724 P820L614-F618 HydrophobicContact CD1-CD2 3.8Å; L614-F618 HydrophobicContact CD1-CE2 3.78Å; L614-F618 WeakPolarHBondContact O-CD2 3.27Å; L614-F618 PolarHBondContact O-N 2.76Å; L615-F618 PolarHBondContact O-N 2.88Å; L615-F618 VanDerWaalsContact O-N 3.13Å; F618-L724 HydrophobicContact CB-CD2 4.21Å; F618-P820 HydrophobicContact CB-CB 3.96Å; F618-P820 HydrophobicContact CB-CG 3.74Å; F618-P820 HydrophobicContact CD1-CG 4.05Å; F618-P820 HydrophobicContact CD2-CB 4.49Å; F618-P820 HydrophobicContact CD2-CG 3.59Å; F618-P820 HydrophobicContact CE2-CG 4.14Å; F618-P820 HydrophobicContact CG-CB 4.3Å; F618-P820 HydrophobicContact CG-CG 3.53Å
619I90.8Very high89.7Confident3 Ų324.5 Ų24.52%0.01512%0.124CC..SBendtrans-90.3-79.1172.5-60.6178.2000108.9L578 L615 L623 F624 L724 I728 F824L578-I619 VanDerWaalsContact O-CD1 3.32Å; L578-I619 WeakPolarHBondContact O-CD1 3.39Å; L615-I619 HydrophobicContact CB-CD1 4.16Å; L615-I619 HydrophobicContact CD2-CD1 4.19Å; L615-I619 PolarHBondContact O-N 2.71Å; I619-L623 HydrophobicContact CG2-CB 4.4Å; I619-L623 HydrophobicContact CG2-CD2 4.41Å; I619-L623 WeakPolarHBondContact O-CB 3.22Å; I619-F624 HydrophobicContact CG2-CB 3.87Å; I619-F624 HydrophobicContact CG2-CD2 4.23Å; I619-L724 HydrophobicContact CD1-CD1 4.31Å; I619-L724 HydrophobicContact CD1-CD2 4.47Å; I619-L724 HydrophobicContact CG1-CD1 4.2Å; I619-L724 HydrophobicContact CG1-CD2 3.53Å; I619-L724 HydrophobicContact CG1-CG 3.95Å; I619-I728 HydrophobicContact CD1-CD1 4.14Å; I619-I728 HydrophobicContact CG1-CD1 4.27Å; I619-I728 HydrophobicContact CG2-CD1 3.91Å; I619-F824 HydrophobicContact CD1-CD2 3.59Å; I619-F824 HydrophobicContact CD1-CE2 3.96Å
620G91.1Very high90.4Very high0 Ų026.3 Ų26.30%014%0.137CC..Hα-helixtrans71.4162.1-173.800000114.1N560 G579 Q622 L623 F624N560-G620 WeakPolarHBondContact OD1-CA 3.41Å; G579-G620 WeakPolarHBondContact O-CA 3.37Å; G579-G620 PolarHBondContact O-N 2.89Å; G620-Q622 VanDerWaalsContact C-N 3.34Å; G620-Q622 PolarHBondContact O-N 3.43Å; G620-L623 PolarHBondContact O-N 3.14Å; G620-F624 PolarHBondContact O-N 2.79Å; G620-F624 VanDerWaalsContact O-N 3.12Å
621N94.9Very high91Very high3 Ų327.8 Ų27.82%0.01615%0.148CC..Hα-helixtrans-63.5-36.3-168.2-66.8-13000113.4G559 N560 V562 A564 I580 L581 N625G559-N621 WeakPolarHBondContact O-CB 3.26Å; N560-N621 PolarHBondContact OD1-N 2.85Å; V562-N621 PolarHBondContact O-ND2 2.91Å; A564-N621 HydrophobicContact CB-CB 4.28Å; A564-N621 PolarHBondContact N-ND2 2.95Å; I580-N621 VanDerWaalsContact CA-OD1 3.24Å; I580-N621 WeakPolarHBondContact CA-OD1 3.41Å; I580-N621 WeakPolarHBondContact CB-OD1 3.2Å; L581-N621 PolarHBondContact N-OD1 2.95Å; L581-N621 PolarHBondContact O-ND2 2.85Å; L581-N621 PolarHBondContact O-OD1 2.99Å; N621-N625 VanDerWaalsContact O-CB 3.23Å; N621-N625 WeakPolarHBondContact O-CB 3.39Å; N621-N625 VanDerWaalsContact O-CG 3.28Å; N621-N625 PolarHBondContact O-N 3.44Å; N621-N625 PolarHBondContact O-ND2 2.91Å
622Q93.3Very high91.5Very high124 Ų12429.8 Ų29.858%0.57916%0.159SC*.Hα-helixtrans-68.2-43179.7-174.5174.4-13.800111.8P558 G620 S626P558-Q622 HydrophobicContact CB-CB 4.06Å; P558-Q622 WeakPolarHBondContact O-CB 3.47Å; P558-Q622 PolarHBondContact O-N 2.93Å; G620-Q622 VanDerWaalsContact C-N 3.34Å; G620-Q622 PolarHBondContact O-N 3.43Å; Q622-S626 WeakPolarHBondContact O-CB 3.47Å; Q622-S626 PolarHBondContact O-N 3.4Å
623L93.7Very high91.6Very high54 Ų5431.3 Ų31.328%0.28317%0.172SC..Hα-helixtrans-66.3-45.3179-16575.3000110.7I619 G620 S626 L724 I728I619-L623 HydrophobicContact CG2-CB 4.4Å; I619-L623 HydrophobicContact CG2-CD2 4.41Å; I619-L623 WeakPolarHBondContact O-CB 3.22Å; G620-L623 PolarHBondContact O-N 3.14Å; L623-S626 PolarHBondContact O-N 2.96Å; L623-S626 PolarHBondContact O-OG 3.38Å; L623-L724 HydrophobicContact CD2-CB 4.29Å; L623-L724 HydrophobicContact CD2-CD2 4.23Å; L623-L724 HydrophobicContact CD2-CG 4.12Å; L623-I728 HydrophobicContact CD2-CD1 4.45Å
624F95.7Very high91.4Very high0 Ų036.5 Ų36.50%022%0.216CC..Hα-helixtrans-63.7-49.2-179.9-167.2-85.5000112L578 I580 I619 G620 S626 V627 Y628 Y662 I728L578-F624 HydrophobicContact CB-CD2 4.47Å; L578-F624 HydrophobicContact CB-CE2 3.95Å; L578-F624 HydrophobicContact CB-CZ 4.38Å; L578-F624 HydrophobicContact CD1-CZ 4.27Å; L578-F624 HydrophobicContact CD2-CE2 4.04Å; L578-F624 HydrophobicContact CD2-CZ 4.2Å; L578-F624 HydrophobicContact CG-CE2 4.42Å; L578-F624 WeakPolarHBondContact O-CD2 3.39Å; I580-F624 HydrophobicContact CG2-CB 3.39Å; I580-F624 HydrophobicContact CG2-CD1 3.96Å; I580-F624 HydrophobicContact CG2-CD2 3.91Å; I580-F624 HydrophobicContact CG2-CG 3.46Å; I580-F624 VanDerWaalsContact CG2-CG 3.46Å; I619-F624 HydrophobicContact CG2-CB 3.87Å; I619-F624 HydrophobicContact CG2-CD2 4.23Å; G620-F624 PolarHBondContact O-N 2.79Å; G620-F624 VanDerWaalsContact O-N 3.12Å; F624-S626 VanDerWaalsContact C-N 3.28Å; F624-S626 PolarHBondContact O-N 3.31Å; F624-V627 PolarHBondContact O-N 3.34Å; F624-V627 VanDerWaalsContact O-N 3.17Å; F624-Y628 HydrophobicContact CD1-CD2 4.09Å; F624-Y628 HydrophobicContact CD1-CG 4.05Å; F624-Y628 AromaticContact CE1-CD1 3.84Å; F624-Y628 HydrophobicContact CE1-CD1 3.84Å; F624-Y628 AromaticContact CE1-CD2 3.42Å; F624-Y628 HydrophobicContact CE1-CD2 3.42Å; F624-Y628 VanDerWaalsContact CE1-CD2 3.42Å; F624-Y628 HydrophobicContact CE1-CE1 4.41Å; F624-Y628 HydrophobicContact CE1-CE2 4.05Å; F624-Y628 AromaticContact CE1-CG 3.29Å; F624-Y628 HydrophobicContact CE1-CG 3.29Å; F624-Y628 HydrophobicContact CE2-CD2 4.03Å; F624-Y628 HydrophobicContact CE2-CE2 4.06Å; F624-Y628 HydrophobicContact CZ-CD1 4.08Å; F624-Y628 AromaticContact CZ-CD2 3.38Å; F624-Y628 HydrophobicContact CZ-CD2 3.38Å; F624-Y628 HydrophobicContact CZ-CE1 4.2Å; F624-Y628 AromaticContact CZ-CE2 3.53Å; F624-Y628 HydrophobicContact CZ-CE2 3.53Å; F624-Y628 AromaticContact CZ-CG 3.68Å; F624-Y628 HydrophobicContact CZ-CG 3.68Å; F624-Y628 AromaticContact CZ-CZ 3.93Å; F624-Y628 PolarHBondContact O-N 2.72Å; F624-Y662 HydrophobicContact CD1-CE1 4.47Å; F624-Y662 HydrophobicContact CE1-CD1 4.23Å; F624-Y662 AromaticContact CE1-CE1 3.46Å; F624-Y662 HydrophobicContact CE1-CE1 3.46Å; F624-Y662 VanDerWaalsContact CE1-CE1 3.46Å; F624-Y662 HydrophobicContact CZ-CD1 4.24Å; F624-Y662 AromaticContact CZ-CE1 3.79Å; F624-Y662 HydrophobicContact CZ-CE1 3.79Å; F624-I728 HydrophobicContact CD2-CG2 4.31Å; F624-I728 HydrophobicContact CE2-CG2 4.33Å
625N95.7Very high91Very high22 Ų2240.4 Ų40.412%0.11826%0.256CS..Hα-helixtrans-67.7-26.6179.6-70.4-15.5000112.6A564 N621 V627 Y628 E629 K661A564-N625 PolarHBondContact O-ND2 3.23Å; N621-N625 VanDerWaalsContact O-CB 3.23Å; N621-N625 WeakPolarHBondContact O-CB 3.39Å; N621-N625 VanDerWaalsContact O-CG 3.28Å; N621-N625 PolarHBondContact O-N 3.44Å; N621-N625 PolarHBondContact O-ND2 2.91Å; N625-V627 PolarHBondContact O-N 2.78Å; N625-V627 VanDerWaalsContact O-N 3.08Å; N625-Y628 PolarHBondContact O-N 2.68Å; N625-E629 HydrophobicContact CB-CB 4.27Å; N625-E629 HydrophobicContact CB-CG 4.1Å; N625-E629 PolarHBondContact ND2-OE2 2.99Å; N625-E629 WeakPolarHBondContact O-CA 3.16Å; N625-E629 WeakPolarHBondContact O-CB 3.43Å; N625-E629 PolarHBondContact O-N 3.08Å; N625-K661 WeakPolarHBondContact OD1-CE 3.22Å; N625-K661 PolarHBondContact OD1-NZ 3.36Å
626S94.8Very high90.7Very high66 Ų6642.7 Ų42.746%0.46227%0.272SS..Hα-helixtrans-59-21.2173.576.90000113.8Q622 L623 F624 S630Q622-S626 WeakPolarHBondContact O-CB 3.47Å; Q622-S626 PolarHBondContact O-N 3.4Å; L623-S626 PolarHBondContact O-N 2.96Å; L623-S626 PolarHBondContact O-OG 3.38Å; F624-S626 VanDerWaalsContact C-N 3.28Å; F624-S626 PolarHBondContact O-N 3.31Å; S626-S630 WeakPolarHBondContact O-CB 3.46Å
627V95.1Very high90.8Very high3 Ų345.2 Ų45.22%0.01828%0.283CS..Hα-helixtrans-98.2-58168.41710000110.6F624 N625 E629 S630 I728 Q729 A732F624-V627 PolarHBondContact O-N 3.34Å; F624-V627 VanDerWaalsContact O-N 3.17Å; N625-V627 PolarHBondContact O-N 2.78Å; N625-V627 VanDerWaalsContact O-N 3.08Å; V627-E629 VanDerWaalsContact C-N 3.26Å; V627-E629 PolarHBondContact O-N 2.93Å; V627-S630 WeakPolarHBondContact O-CB 3.26Å; V627-S630 PolarHBondContact O-N 2.88Å; V627-S630 PolarHBondContact O-OG 3.25Å; V627-I728 HydrophobicContact CB-CG2 3.99Å; V627-I728 HydrophobicContact CG1-CG2 4Å; V627-I728 HydrophobicContact CG2-CB 4.41Å; V627-I728 HydrophobicContact CG2-CG2 4.16Å; V627-Q729 HydrophobicContact CG1-CB 4.36Å; V627-Q729 HydrophobicContact CG2-CB 4.28Å; V627-A732 HydrophobicContact CG1-CB 3.77Å
628Y95.8Very high90.9Very high3 Ų343.8 Ų43.81%0.01228%0.279CS..Hα-helixtrans-74.3-9.4-167.2-96.5-99.1000115.5F624 N625 K661 Y662 R665 I668 I728 F731 A732F624-Y628 HydrophobicContact CD1-CD2 4.09Å; F624-Y628 HydrophobicContact CD1-CG 4.05Å; F624-Y628 AromaticContact CE1-CD1 3.84Å; F624-Y628 HydrophobicContact CE1-CD1 3.84Å; F624-Y628 AromaticContact CE1-CD2 3.42Å; F624-Y628 HydrophobicContact CE1-CD2 3.42Å; F624-Y628 VanDerWaalsContact CE1-CD2 3.42Å; F624-Y628 HydrophobicContact CE1-CE1 4.41Å; F624-Y628 HydrophobicContact CE1-CE2 4.05Å; F624-Y628 AromaticContact CE1-CG 3.29Å; F624-Y628 HydrophobicContact CE1-CG 3.29Å; F624-Y628 HydrophobicContact CE2-CD2 4.03Å; F624-Y628 HydrophobicContact CE2-CE2 4.06Å; F624-Y628 HydrophobicContact CZ-CD1 4.08Å; F624-Y628 AromaticContact CZ-CD2 3.38Å; F624-Y628 HydrophobicContact CZ-CD2 3.38Å; F624-Y628 HydrophobicContact CZ-CE1 4.2Å; F624-Y628 AromaticContact CZ-CE2 3.53Å; F624-Y628 HydrophobicContact CZ-CE2 3.53Å; F624-Y628 AromaticContact CZ-CG 3.68Å; F624-Y628 HydrophobicContact CZ-CG 3.68Å; F624-Y628 AromaticContact CZ-CZ 3.93Å; F624-Y628 PolarHBondContact O-N 2.72Å; N625-Y628 PolarHBondContact O-N 2.68Å; Y628-K661 HydrophobicContact CD1-CG 4.34Å; Y628-K661 WeakPolarHBondContact CD1-O 3.27Å; Y628-K661 WeakPolarHBondContact CE1-O 3.37Å; Y628-Y662 HydrophobicContact CD1-CD1 4.47Å; Y628-Y662 HydrophobicContact CE1-CD1 4.4Å; Y628-R665 HydrophobicContact CE1-CG 4.29Å; Y628-I668 HydrophobicContact CD1-CG2 4.46Å; Y628-I728 HydrophobicContact CD2-CG2 3.96Å; Y628-I728 HydrophobicContact CE2-CG2 3.93Å; Y628-F731 WeakPolarHBondContact OH-CD1 3.3Å; Y628-F731 WeakPolarHBondContact OH-CE1 3.39Å; Y628-A732 HydrophobicContact CD2-CB 4.35Å; Y628-A732 HydrophobicContact CE2-CB 3.75Å
629E95.3Very high90.7Very high28 Ų2844.4 Ų44.413%0.13129%0.286CS..THydrogen-bonded Turntrans-126.715.2174.9-59.7-175.1164.500111.7N625 V627 S631 L632 K637 K661 F667N625-E629 HydrophobicContact CB-CB 4.27Å; N625-E629 HydrophobicContact CB-CG 4.1Å; N625-E629 PolarHBondContact ND2-OE2 2.99Å; N625-E629 WeakPolarHBondContact O-CA 3.16Å; N625-E629 WeakPolarHBondContact O-CB 3.43Å; N625-E629 PolarHBondContact O-N 3.08Å; V627-E629 VanDerWaalsContact C-N 3.26Å; V627-E629 PolarHBondContact O-N 2.93Å; E629-S631 PolarHBondContact O-N 2.94Å; E629-L632 HydrophobicContact CB-CB 3.97Å; E629-L632 HydrophobicContact CB-CD2 3.89Å; E629-L632 HydrophobicContact CG-CD2 4.11Å; E629-L632 WeakPolarHBondContact O-CB 3.25Å; E629-L632 PolarHBondContact O-N 3.11Å; E629-K637 VanDerWaalsContact OE1-CE 3.3Å; E629-K637 WeakPolarHBondContact OE1-CE 3.4Å; E629-K637 IonicContact OE1-NZ 3.2Å; E629-K637 PolarHBondContact OE1-NZ 2.94Å; E629-K637 IonicContact OE2-NZ 2.89Å; E629-K637 PolarHBondContact OE2-NZ 3.46Å; E629-K661 HydrophobicContact CG-CD 4.29Å; E629-K661 WeakPolarHBondContact OE1-CE 3.49Å; E629-K661 IonicContact OE1-NZ 2.81Å; E629-K661 PolarHBondContact OE1-NZ 3.37Å; E629-F667 CarbonylContact C-O 3.32Å; E629-F667 VanDerWaalsContact C-O 3.32Å
630S93Very high90.1Very high49 Ų4945.2 Ų45.234%0.34329%0.293SS..THydrogen-bonded Turntrans-61.4-25.6-175.353.90000114.9S626 V627 F667 T669S626-S630 WeakPolarHBondContact O-CB 3.46Å; V627-S630 WeakPolarHBondContact O-CB 3.26Å; V627-S630 PolarHBondContact O-N 2.88Å; V627-S630 PolarHBondContact O-OG 3.25Å; S630-F667 PolarHBondContact N-O 3.34Å; S630-F667 VanDerWaalsContact N-O 3.11Å; S630-T669 WeakPolarHBondContact CB-OG1 3.24Å; S630-T669 PolarHBondContact OG-N 3.06Å; S630-T669 PolarHBondContact OG-OG1 3.1Å; S630-T669 VanDerWaalsContact OG-OG1 3.06Å
631S92Very high89.2Confident56 Ų5651.3 Ų51.339%0.39233%0.325SS..THydrogen-bonded Turntrans-116.924.917476.10000112.8E629 P633 F667 I668E629-S631 PolarHBondContact O-N 2.94Å; S631-P633 WeakPolarHBondContact O-CD 3.22Å; S631-F667 PolarHBondContact N-O 3.46Å; S631-F667 WeakPolarHBondContact OG-CA 3.29Å; S631-F667 PolarHBondContact OG-O 3.39Å; S631-I668 PolarHBondContact OG-N 2.59Å; S631-I668 PolarHBondContact OG-O 2.87Å
632L90.5Very high87.6Confident43 Ų4353 Ų5323%0.22533%0.334CS..PPolyproline II helixtrans-68.6123.6-179.217966.1000111.7E629 S636 K637 F657 F667E629-L632 HydrophobicContact CB-CB 3.97Å; E629-L632 HydrophobicContact CB-CD2 3.89Å; E629-L632 HydrophobicContact CG-CD2 4.11Å; E629-L632 WeakPolarHBondContact O-CB 3.25Å; E629-L632 PolarHBondContact O-N 3.11Å; L632-S636 VanDerWaalsContact CD1-OG 3.28Å; L632-S636 WeakPolarHBondContact CD1-OG 3.39Å; L632-K637 HydrophobicContact CD2-CB 4.26Å; L632-K637 HydrophobicContact CD2-CD 4.13Å; L632-F657 HydrophobicContact CD1-CE2 3.71Å; L632-F657 HydrophobicContact CD1-CZ 4.27Å; L632-F667 HydrophobicContact CB-CB 4.22Å; L632-F667 HydrophobicContact CD1-CB 4.31Å; L632-F667 HydrophobicContact CD1-CD1 3.79Å; L632-F667 HydrophobicContact CD1-CD2 4.1Å; L632-F667 HydrophobicContact CD1-CE1 4.09Å; L632-F667 HydrophobicContact CD1-CE2 4.38Å; L632-F667 HydrophobicContact CD1-CG 3.8Å; L632-F667 HydrophobicContact CD1-CZ 4.37Å
633P88.2Confident85.8Confident74 Ų7447.8 Ų47.848%0.48131%0.312SS..PPolyproline II helixtrans-62.5139.7172.6-2435.1000112.8S631 G635 S636S631-P633 WeakPolarHBondContact O-CD 3.22Å; P633-G635 PolarHBondContact O-N 3.03Å; P633-S636 PolarHBondContact O-N 3Å; P633-S636 VanDerWaalsContact O-N 3.16Å; P633-S636 PolarHBondContact O-OG 2.93Å
634A82.1Confident83.9Confident111 Ų11150.1 Ų50.192%0.91733%0.328SS*.THydrogen-bonded Turntrans-57.7127.3175.400000110.9
635G79Confident82Confident82 Ų8256.2 Ų56.285%0.84537%0.365SS*.THydrogen-bonded Turntrans81.5-0.6179.900000116.2P633 K637P633-G635 PolarHBondContact O-N 3.03Å; G635-K637 VanDerWaalsContact C-N 3.27Å; G635-K637 PolarHBondContact O-N 3.23Å
636S84.4Confident80.1Confident49 Ų4959 Ų5934%0.34338%0.38SS..  trans-87.712.3176.3800000114.5L632 P633 F657L632-S636 VanDerWaalsContact CD1-OG 3.28Å; L632-S636 WeakPolarHBondContact CD1-OG 3.39Å; P633-S636 PolarHBondContact O-N 3Å; P633-S636 VanDerWaalsContact O-N 3.16Å; P633-S636 PolarHBondContact O-OG 2.93Å; S636-F657 VanDerWaalsContact O-CD2 3.25Å; S636-F657 WeakPolarHBondContact O-CD2 3.4Å
637K89.7Confident78.4Confident53 Ų5357.8 Ų57.823%0.2337%0.371CS..SBendtrans-102.9129.1177.5-168.9168.3-173165.90108.4A564 D565 E629 L632 G635 F657A564-K637 WeakPolarHBondContact O-CE 3.22Å; A564-K637 PolarHBondContact O-NZ 2.8Å; D565-K637 WeakPolarHBondContact O-CE 3.44Å; D565-K637 VanDerWaalsContact O-CG 3.25Å; D565-K637 WeakPolarHBondContact O-CG 3.38Å; E629-K637 VanDerWaalsContact OE1-CE 3.3Å; E629-K637 WeakPolarHBondContact OE1-CE 3.4Å; E629-K637 IonicContact OE1-NZ 3.2Å; E629-K637 PolarHBondContact OE1-NZ 2.94Å; E629-K637 IonicContact OE2-NZ 2.89Å; E629-K637 PolarHBondContact OE2-NZ 3.46Å; L632-K637 HydrophobicContact CD2-CB 4.26Å; L632-K637 HydrophobicContact CD2-CD 4.13Å; G635-K637 VanDerWaalsContact C-N 3.27Å; G635-K637 PolarHBondContact O-N 3.23Å; K637-F657 HydrophobicContact CB-CE2 4.44Å; K637-F657 HydrophobicContact CB-CZ 4.34Å; K637-F657 HydrophobicContact CD-CZ 4.44Å; K637-F657 HydrophobicContact CG-CE1 4.13Å; K637-F657 HydrophobicContact CG-CE2 4.45Å; K637-F657 HydrophobicContact CG-CZ 3.89Å
638P87.5Confident76.8Confident11 Ų1162.9 Ų62.97%0.07140%0.402CS..PPolyproline II helixtrans-63.9137.3-179.227.3-34.9000110.2C566 R654 F657C566-P638 WeakPolarHBondContact CA-O 3.32Å; C566-P638 HydrophobicContact CB-CG 4.3Å; C566-P638 VanDerWaalsContact CB-O 3.26Å; C566-P638 WeakPolarHBondContact CB-O 3.45Å; P638-R654 HydrophobicContact CG-CG 4.43Å; P638-F657 VanDerWaalsContact CD-CD1 3.46Å; P638-F657 VanDerWaalsContact CD-CG 3.46Å; P638-F657 HydrophobicContact CG-CB 4.27Å; P638-F657 HydrophobicContact CG-CD1 3.92Å; P638-F657 HydrophobicContact CG-CG 4.16Å
639N82Confident75.6Confident99 Ų9966.6 Ų66.653%0.52942%0.422SS..PPolyproline II helixtrans-77.2163.7179-47.8-76.4000111.5L641 D642 R654N639-L641 PolarHBondContact O-N 2.92Å; N639-L641 VanDerWaalsContact O-N 3.15Å; N639-D642 WeakPolarHBondContact CB-OD1 3.36Å; N639-D642 PolarHBondContact N-OD2 3.42Å; N639-D642 PolarHBondContact ND2-OD1 3.38Å; N639-D642 PolarHBondContact ND2-OD2 3.02Å; N639-D642 PolarHBondContact O-N 2.78Å; N639-R654 PolarHBondContact O-NH2 2.85Å
640A78.9Confident74.6Confident20 Ų2065.5 Ų65.517%0.16542%0.418CS..THydrogen-bonded Turntrans-62.2-17.3175.500000114.7C566 R568C566-A640 PolarHBondContact O-N 3.42Å; R568-A640 HydrophobicContact CB-CB 3.7Å; R568-A640 HydrophobicContact CG-CB 4.27Å; R568-A640 PolarHBondContact NE-O 2.86Å; R568-A640 PolarHBondContact NH2-O 3.26Å
641L71.3Confident74Confident127 Ų12765.1 Ų65.167%0.66541%0.412SS*.THydrogen-bonded Turntrans-108-10.4-176.4-85.178.9000114.8N639 S643 V644N639-L641 PolarHBondContact O-N 2.92Å; N639-L641 VanDerWaalsContact O-N 3.15Å; L641-S643 PolarHBondContact O-N 3.42Å; L641-V644 WeakPolarHBondContact O-CB 3.5Å; L641-V644 WeakPolarHBondContact O-CG2 3.22Å; L641-V644 PolarHBondContact O-N 3.03Å
642D62Low73.6Confident38 Ų3864.8 Ų64.820%0.20341%0.407CS..Hα-helixtrans-64.8-12-169-61.4-14.3000114.2N639 V644 G650N639-D642 WeakPolarHBondContact CB-OD1 3.36Å; N639-D642 PolarHBondContact N-OD2 3.42Å; N639-D642 PolarHBondContact ND2-OD1 3.38Å; N639-D642 PolarHBondContact ND2-OD2 3.02Å; N639-D642 PolarHBondContact O-N 2.78Å; D642-V644 VanDerWaalsContact C-N 3.34Å; D642-G650 WeakPolarHBondContact O-CA 3.26Å
643S54.4Low73.3Confident16 Ų1667.4 Ų67.411%0.11242%0.418CS..Hα-helixtrans-78.5-12.3172.250.90000114.3R568 E585 L641R568-S643 PolarHBondContact NH2-OG 2.83Å; E585-S643 VanDerWaalsContact CD-OG 3.24Å; E585-S643 PolarHBondContact OE1-OG 2.78Å; E585-S643 PolarHBondContact OE2-OG 3.45Å; L641-S643 PolarHBondContact O-N 3.42Å
644V55.4Low73.4Confident103 Ų10363.9 Ų63.962%0.62440%0.395SS*.Hα-helixtrans-91.4-27.7-173.1-175.50000112.4L641 D642L641-V644 WeakPolarHBondContact O-CB 3.5Å; L641-V644 WeakPolarHBondContact O-CG2 3.22Å; L641-V644 PolarHBondContact O-N 3.03Å; D642-V644 VanDerWaalsContact C-N 3.34Å
645T55Low73.8Confident128 Ų12861.7 Ų61.779%0.78536%0.363SS*.Hα-helixtrans-88.5-36-173.946.50000114.3
646D56.7Low74.4Confident79 Ų7962.4 Ų62.442%0.42235%0.348SS..  trans-147.1103.9166.2-172.4-46.5000108T648 D649 G650D646-T648 PolarHBondContact O-N 3.25Å; D646-T648 VanDerWaalsContact O-N 3.14Å; D646-T648 WeakPolarHBondContact OD1-CB 3.32Å; D646-T648 PolarHBondContact OD1-N 2.83Å; D646-T648 PolarHBondContact OD1-OG1 3.49Å; D646-D649 PolarHBondContact O-N 2.85Å; D646-D649 PolarHBondContact OD1-N 2.6Å; D646-G650 PolarHBondContact O-N 2.81Å
647P58.9Low74.9Confident42 Ų4260.6 Ų60.627%0.27333%0.334SS..Hα-helixtrans-61-24.4-175.1-27.136.4000114.2
648T61.8Low75.1Confident110 Ų11058.1 Ų58.168%0.67532%0.323SS*.Hα-helixtrans-80.4-48.9-176-1.40000111.8D646 T652D646-T648 PolarHBondContact O-N 3.25Å; D646-T648 VanDerWaalsContact O-N 3.14Å; D646-T648 WeakPolarHBondContact OD1-CB 3.32Å; D646-T648 PolarHBondContact OD1-N 2.83Å; D646-T648 PolarHBondContact OD1-OG1 3.49Å; T648-T652 WeakPolarHBondContact O-CB 3.41Å; T648-T652 PolarHBondContact O-N 3.45Å; T648-T652 PolarHBondContact O-OG1 2.74Å
649D70.4Confident75.5Confident81 Ų8162.8 Ų62.843%0.43334%0.342SS..Hα-helixtrans-79.9-42.8-179.2-167.539.9000111.8D646 M651 T652 Q653D646-D649 PolarHBondContact O-N 2.85Å; D646-D649 PolarHBondContact OD1-N 2.6Å; D649-M651 VanDerWaalsContact C-N 3.3Å; D649-M651 PolarHBondContact O-N 2.8Å; D649-T652 CarbonylContact O-C 3.46Å; D649-T652 WeakPolarHBondContact O-CA 3.34Å; D649-T652 WeakPolarHBondContact O-CB 3.32Å; D649-T652 PolarHBondContact O-N 3.46Å; D649-Q653 WeakPolarHBondContact O-CG 3.31Å; D649-Q653 PolarHBondContact O-N 3.43Å; D649-Q653 PolarHBondContact OD2-NE2 2.82Å
650G74.1Confident76Confident5 Ų559 Ų595%0.05232%0.323CS..Hα-helixtrans-57.5-39.1-178.900000113.8D642 D646 R654D642-G650 WeakPolarHBondContact O-CA 3.26Å; D646-G650 PolarHBondContact O-N 2.81Å; G650-R654 VanDerWaalsContact O-CB 3.31Å; G650-R654 WeakPolarHBondContact O-CB 2.99Å; G650-R654 PolarHBondContact O-N 2.83Å; G650-R654 VanDerWaalsContact O-N 3.11Å
651M80.3Confident76.8Confident41 Ų4158 Ų5820%0.20232%0.316CS..Hα-helixtrans-72.7-29.6172.5-79.2-64.7-68.600113.1E585 D649 R655E585-M651 HydrophobicContact CB-SD 4.09Å; E585-M651 HydrophobicContact CG-SD 4.39Å; D649-M651 VanDerWaalsContact C-N 3.3Å; D649-M651 PolarHBondContact O-N 2.8Å; M651-R655 VanDerWaalsContact O-CG 3.3Å; M651-R655 WeakPolarHBondContact O-CG 3.45Å; M651-R655 PolarHBondContact O-N 3.2Å
652T83.6Confident78Confident48 Ų4852.3 Ų52.329%0.29429%0.285SS..Hα-helixtrans-73-44.3177-59.80000111.3T648 D649 R654 R655 N656T648-T652 WeakPolarHBondContact O-CB 3.41Å; T648-T652 PolarHBondContact O-N 3.45Å; T648-T652 PolarHBondContact O-OG1 2.74Å; D649-T652 CarbonylContact O-C 3.46Å; D649-T652 WeakPolarHBondContact O-CA 3.34Å; D649-T652 WeakPolarHBondContact O-CB 3.32Å; D649-T652 PolarHBondContact O-N 3.46Å; T652-R654 VanDerWaalsContact C-N 3.31Å; T652-R654 PolarHBondContact O-N 2.73Å; T652-R655 PolarHBondContact O-N 2.92Å; T652-N656 WeakPolarHBondContact O-CB 3.31Å; T652-N656 VanDerWaalsContact O-CG 3.25Å; T652-N656 PolarHBondContact O-N 3.18Å; T652-N656 PolarHBondContact O-ND2 3.35Å
653Q84.6Confident79.5Confident98 Ų9851.5 Ų51.546%0.45828%0.282SS..Hα-helixtrans-57.3-44.7170.4-64.3-173.724.900111.3D649 N656 F657D649-Q653 WeakPolarHBondContact O-CG 3.31Å; D649-Q653 PolarHBondContact O-N 3.43Å; D649-Q653 PolarHBondContact OD2-NE2 2.82Å; Q653-N656 PolarHBondContact O-N 3.16Å; Q653-F657 PolarHBondContact O-N 2.84Å
654R88.8Confident81.3Confident0 Ų054.5 Ų54.50%030%0.296CS..Hα-helixtrans-61.6-44.4177.5-175173.2-61.4-146.815.5113.4C566 E585 C586 P638 N639 G650 T652 F657 I658C566-R654 PolarHBondContact SG-NH1 2.82Å; C566-R654 VanDerWaalsContact SG-NH1 3.37Å; E585-R654 VanDerWaalsContact CB-NH1 3.33Å; E585-R654 IonicContact OE2-CZ 3.91Å; E585-R654 IonicContact OE2-NH1 3.28Å; E585-R654 PolarHBondContact OE2-NH1 2.81Å; E585-R654 IonicContact OE2-NH2 2.61Å; E585-R654 PolarHBondContact OE2-NH2 2.83Å; C586-R654 PolarHBondContact SG-NH1 3.1Å; P638-R654 HydrophobicContact CG-CG 4.43Å; N639-R654 PolarHBondContact O-NH2 2.85Å; G650-R654 VanDerWaalsContact O-CB 3.31Å; G650-R654 WeakPolarHBondContact O-CB 2.99Å; G650-R654 PolarHBondContact O-N 2.83Å; G650-R654 VanDerWaalsContact O-N 3.11Å; T652-R654 VanDerWaalsContact C-N 3.31Å; T652-R654 PolarHBondContact O-N 2.73Å; R654-F657 PolarHBondContact O-N 3.28Å; R654-I658 HydrophobicContact CG-CD1 3.83Å; R654-I658 WeakPolarHBondContact O-CB 3.32Å; R654-I658 WeakPolarHBondContact O-CG1 3.25Å; R654-I658 PolarHBondContact O-N 2.67Å
655R91.1Very high83Confident65 Ų6551 Ų5125%0.24527%0.272CS..Hα-helixtrans-57.9-48.2172-75.7170175.8117.90.4111.7A589 E592 M651 T652 F657 I658 K659A589-R655 HydrophobicContact CB-CG 4.08Å; E592-R655 VanDerWaalsContact CD-NE 3.3Å; E592-R655 IonicContact OE1-CZ 3.52Å; E592-R655 IonicContact OE1-NE 3.81Å; E592-R655 PolarHBondContact OE1-NE 2.89Å; E592-R655 IonicContact OE1-NH2 3.57Å; E592-R655 PolarHBondContact OE1-NH2 3.37Å; E592-R655 VanDerWaalsContact OE2-CD 3.24Å; E592-R655 WeakPolarHBondContact OE2-CD 3.33Å; E592-R655 WeakPolarHBondContact OE2-CG 3.18Å; E592-R655 IonicContact OE2-CZ 2.93Å; E592-R655 IonicContact OE2-NE 2.82Å; E592-R655 PolarHBondContact OE2-NE 2.94Å; E592-R655 IonicContact OE2-NH2 3.64Å; M651-R655 VanDerWaalsContact O-CG 3.3Å; M651-R655 WeakPolarHBondContact O-CG 3.45Å; M651-R655 PolarHBondContact O-N 3.2Å; T652-R655 PolarHBondContact O-N 2.92Å; R655-F657 VanDerWaalsContact C-N 3.34Å; R655-F657 PolarHBondContact O-N 2.95Å; R655-I658 PolarHBondContact O-N 2.71Å; R655-K659 WeakPolarHBondContact O-CB 3.48Å; R655-K659 PolarHBondContact O-N 3.39Å
656N91.5Very high84.8Confident97 Ų9753.5 Ų53.552%0.51927%0.267SS..Hα-helixtrans-63-39.5-179-70.5-23.1000112T652 Q653 S660T652-N656 WeakPolarHBondContact O-CB 3.31Å; T652-N656 VanDerWaalsContact O-CG 3.25Å; T652-N656 PolarHBondContact O-N 3.18Å; T652-N656 PolarHBondContact O-ND2 3.35Å; Q653-N656 PolarHBondContact O-N 3.16Å; N656-S660 VanDerWaalsContact O-CB 3.3Å; N656-S660 WeakPolarHBondContact O-CB 3.38Å; N656-S660 PolarHBondContact O-N 2.93Å; N656-S660 PolarHBondContact O-OG 3.35Å
657F94.1Very high86.6Confident11 Ų1150.4 Ų50.45%0.04825%0.25CC..Hα-helixtrans-63.2-49.7173177.2-102.7000112.1D565 L632 S636 K637 P638 Q653 R654 R655 K659 S660 K661 F667D565-F657 HydrophobicContact CB-CD1 4.45Å; D565-F657 HydrophobicContact CB-CE1 4.13Å; D565-F657 WeakPolarHBondContact O-CE1 3.33Å; L632-F657 HydrophobicContact CD1-CE2 3.71Å; L632-F657 HydrophobicContact CD1-CZ 4.27Å; S636-F657 VanDerWaalsContact O-CD2 3.25Å; S636-F657 WeakPolarHBondContact O-CD2 3.4Å; K637-F657 HydrophobicContact CB-CE2 4.44Å; K637-F657 HydrophobicContact CB-CZ 4.34Å; K637-F657 HydrophobicContact CD-CZ 4.44Å; K637-F657 HydrophobicContact CG-CE1 4.13Å; K637-F657 HydrophobicContact CG-CE2 4.45Å; K637-F657 HydrophobicContact CG-CZ 3.89Å; P638-F657 VanDerWaalsContact CD-CD1 3.46Å; P638-F657 VanDerWaalsContact CD-CG 3.46Å; P638-F657 HydrophobicContact CG-CB 4.27Å; P638-F657 HydrophobicContact CG-CD1 3.92Å; P638-F657 HydrophobicContact CG-CG 4.16Å; Q653-F657 PolarHBondContact O-N 2.84Å; R654-F657 PolarHBondContact O-N 3.28Å; R655-F657 VanDerWaalsContact C-N 3.34Å; R655-F657 PolarHBondContact O-N 2.95Å; F657-K659 PolarHBondContact O-N 2.81Å; F657-S660 WeakPolarHBondContact O-CB 3.49Å; F657-S660 PolarHBondContact O-N 2.89Å; F657-K661 HydrophobicContact CE1-CD 3.96Å; F657-K661 HydrophobicContact CZ-CD 4.11Å; F657-K661 WeakPolarHBondContact O-CB 3.32Å; F657-K661 PolarHBondContact O-N 3.15Å; F657-F667 AromaticContact CD2-CE2 3.68Å; F657-F667 HydrophobicContact CD2-CE2 3.68Å; F657-F667 AromaticContact CD2-CZ 3.89Å; F657-F667 HydrophobicContact CD2-CZ 3.89Å; F657-F667 HydrophobicContact CE2-CD2 4Å; F657-F667 AromaticContact CE2-CE2 3.41Å; F657-F667 HydrophobicContact CE2-CE2 3.41Å; F657-F667 VanDerWaalsContact CE2-CE2 3.41Å; F657-F667 AromaticContact CE2-CZ 3.86Å; F657-F667 HydrophobicContact CE2-CZ 3.86Å; F657-F667 HydrophobicContact CZ-CD2 4.49Å; F657-F667 HydrophobicContact CZ-CE2 4.2Å
658I95.2Very high88.2Confident1 Ų149 Ų491%0.00524%0.24CC..Hα-helixtrans-63.3-42.6-179-74.7167.4000110.8D565 C586 A589 L593 R654 R655 K661 Y662D565-I658 HydrophobicContact CB-CD1 4.29Å; D565-I658 HydrophobicContact CB-CG1 4.1Å; C586-I658 HydrophobicContact CB-CD1 3.97Å; A589-I658 HydrophobicContact CB-CB 4.37Å; A589-I658 HydrophobicContact CB-CD1 3.64Å; A589-I658 HydrophobicContact CB-CG2 4.16Å; L593-I658 HydrophobicContact CD1-CG2 3.97Å; L593-I658 HydrophobicContact CG-CG2 4.35Å; R654-I658 HydrophobicContact CG-CD1 3.83Å; R654-I658 WeakPolarHBondContact O-CB 3.32Å; R654-I658 WeakPolarHBondContact O-CG1 3.25Å; R654-I658 PolarHBondContact O-N 2.67Å; R655-I658 PolarHBondContact O-N 2.71Å; I658-K661 PolarHBondContact O-N 3.34Å; I658-Y662 HydrophobicContact CG2-CD2 3.93Å; I658-Y662 HydrophobicContact CG2-CE2 4.28Å; I658-Y662 VanDerWaalsContact O-CD2 3.26Å; I658-Y662 WeakPolarHBondContact O-CD2 3.28Å; I658-Y662 PolarHBondContact O-N 3.05Å
659K94.7Very high89.6Confident110 Ų11047.1 Ų47.148%0.47823%0.229SC..Hα-helixtrans-60.4-47.4171.6-172.1175.1178.21750111.8L593 R655 F657 K661 V663 D664L593-K659 HydrophobicContact CD2-CB 4.46Å; R655-K659 WeakPolarHBondContact O-CB 3.48Å; R655-K659 PolarHBondContact O-N 3.39Å; F657-K659 PolarHBondContact O-N 2.81Å; K659-K661 PolarHBondContact O-N 2.85Å; K659-V663 HydrophobicContact CG-CB 3.92Å; K659-V663 HydrophobicContact CG-CG1 4.42Å; K659-V663 HydrophobicContact CG-CG2 4.1Å; K659-V663 WeakPolarHBondContact O-CA 3.12Å; K659-V663 WeakPolarHBondContact O-CB 3.26Å; K659-V663 PolarHBondContact O-N 3.45Å; K659-D664 PolarHBondContact O-N 3.44Å
660S93.9Very high90.3Very high19 Ų1948.7 Ų48.713%0.13323%0.231CC..Iπ-helixtrans-57.8-37.1176.7-620000112.7N656 F657 D664 R665 R666N656-S660 VanDerWaalsContact O-CB 3.3Å; N656-S660 WeakPolarHBondContact O-CB 3.38Å; N656-S660 PolarHBondContact O-N 2.93Å; N656-S660 PolarHBondContact O-OG 3.35Å; F657-S660 WeakPolarHBondContact O-CB 3.49Å; F657-S660 PolarHBondContact O-N 2.89Å; S660-D664 WeakPolarHBondContact CA-OD2 3.28Å; S660-R665 PolarHBondContact O-N 3.03Å; S660-R666 WeakPolarHBondContact O-CB 3.36Å; S660-R666 PolarHBondContact O-N 2.96Å
661K95.5Very high90.8Very high0 Ų052.3 Ų52.30%025%0.253CS..Iπ-helixtrans-75.1-51.7-178.9-177.5173.9172.4-178.60112.7A564 D565 N625 Y628 E629 F657 I658 K659 R665 F667A564-K661 PolarHBondContact O-NZ 3.04Å; A564-K661 VanDerWaalsContact O-NZ 3.12Å; D565-K661 IonicContact OD1-NZ 2.85Å; D565-K661 PolarHBondContact OD1-NZ 2.93Å; N625-K661 WeakPolarHBondContact OD1-CE 3.22Å; N625-K661 PolarHBondContact OD1-NZ 3.36Å; Y628-K661 HydrophobicContact CD1-CG 4.34Å; Y628-K661 WeakPolarHBondContact CD1-O 3.27Å; Y628-K661 WeakPolarHBondContact CE1-O 3.37Å; E629-K661 HydrophobicContact CG-CD 4.29Å; E629-K661 WeakPolarHBondContact OE1-CE 3.49Å; E629-K661 IonicContact OE1-NZ 2.81Å; E629-K661 PolarHBondContact OE1-NZ 3.37Å; F657-K661 HydrophobicContact CE1-CD 3.96Å; F657-K661 HydrophobicContact CZ-CD 4.11Å; F657-K661 WeakPolarHBondContact O-CB 3.32Å; F657-K661 PolarHBondContact O-N 3.15Å; I658-K661 PolarHBondContact O-N 3.34Å; K659-K661 PolarHBondContact O-N 2.85Å; K661-R665 WeakPolarHBondContact O-CA 3.29Å; K661-F667 HydrophobicContact CB-CD2 3.97Å; K661-F667 HydrophobicContact CB-CE2 4.06Å; K661-F667 HydrophobicContact CG-CD2 4.43Å
662Y96.3Very high90.8Very high6 Ų651.1 Ų51.12%0.02425%0.248CC..Iπ-helixtrans-96.2-38.9-169.9-63.3-78.5000114.5D565 L578 I580 H590 L593 F624 Y628 I658 R665D565-Y662 VanDerWaalsContact OD1-CE2 3.27Å; D565-Y662 WeakPolarHBondContact OD1-CE2 3.2Å; D565-Y662 PolarHBondContact OD1-OH 2.89Å; L578-Y662 HydrophobicContact CD1-CD1 3.75Å; L578-Y662 HydrophobicContact CD1-CE1 3.64Å; I580-Y662 HydrophobicContact CD1-CE1 3.97Å; I580-Y662 WeakPolarHBondContact CD1-OH 3.36Å; H590-Y662 AromaticContact CE1-CD2 3.85Å; H590-Y662 AromaticContact CE1-CE2 3.32Å; H590-Y662 WeakPolarHBondContact CE1-CE2 3.43Å; H590-Y662 AromaticContact CE1-CZ 3.43Å; H590-Y662 VanDerWaalsContact CE1-CZ 3.43Å; H590-Y662 AromaticContact NE2-CD2 3.84Å; H590-Y662 AromaticContact NE2-CE2 3.19Å; H590-Y662 WeakPolarHBondContact NE2-CE2 3.38Å; H590-Y662 AromaticContact NE2-CZ 3.7Å; L593-Y662 HydrophobicContact CD1-CD2 4.36Å; L593-Y662 HydrophobicContact CD1-CG 4.39Å; F624-Y662 HydrophobicContact CD1-CE1 4.47Å; F624-Y662 HydrophobicContact CE1-CD1 4.23Å; F624-Y662 AromaticContact CE1-CE1 3.46Å; F624-Y662 HydrophobicContact CE1-CE1 3.46Å; F624-Y662 VanDerWaalsContact CE1-CE1 3.46Å; F624-Y662 HydrophobicContact CZ-CD1 4.24Å; F624-Y662 AromaticContact CZ-CE1 3.79Å; F624-Y662 HydrophobicContact CZ-CE1 3.79Å; Y628-Y662 HydrophobicContact CD1-CD1 4.47Å; Y628-Y662 HydrophobicContact CE1-CD1 4.4Å; I658-Y662 HydrophobicContact CG2-CD2 3.93Å; I658-Y662 HydrophobicContact CG2-CE2 4.28Å; I658-Y662 VanDerWaalsContact O-CD2 3.26Å; I658-Y662 WeakPolarHBondContact O-CD2 3.28Å; I658-Y662 PolarHBondContact O-N 3.05Å; Y662-R665 WeakPolarHBondContact O-CG 3.35Å; Y662-R665 PolarHBondContact O-NE 2.78Å
663V93.3Very high90Very high22 Ų2252.6 Ų52.613%0.13326%0.26CS..Iπ-helixtrans-87.4-56.4-177179.30000110.5L593 Y597 K659 R734L593-V663 HydrophobicContact CD1-CG2 4.19Å; L593-V663 HydrophobicContact CD2-CG2 3.83Å; L593-V663 HydrophobicContact CG-CG2 4.46Å; Y597-V663 HydrophobicContact CD1-CG2 4.15Å; Y597-V663 HydrophobicContact CD2-CG2 3.96Å; Y597-V663 HydrophobicContact CE1-CB 4.3Å; Y597-V663 HydrophobicContact CE1-CG1 4.37Å; Y597-V663 HydrophobicContact CE1-CG2 4.05Å; Y597-V663 HydrophobicContact CE2-CG1 4.32Å; Y597-V663 HydrophobicContact CE2-CG2 3.85Å; Y597-V663 HydrophobicContact CG-CG2 4.13Å; K659-V663 HydrophobicContact CG-CB 3.92Å; K659-V663 HydrophobicContact CG-CG1 4.42Å; K659-V663 HydrophobicContact CG-CG2 4.1Å; K659-V663 WeakPolarHBondContact O-CA 3.12Å; K659-V663 WeakPolarHBondContact O-CB 3.26Å; K659-V663 PolarHBondContact O-N 3.45Å; V663-R734 PolarHBondContact O-NH2 3.31Å
664D91.4Very high88.8Confident79 Ų7952.2 Ų52.242%0.42226%0.261SS..Iπ-helixtrans-77.5-31.8-176.6-50.3-21000110.9K659 S660 R734K659-D664 PolarHBondContact O-N 3.44Å; S660-D664 WeakPolarHBondContact CA-OD2 3.28Å; D664-R734 VanDerWaalsContact C-NH2 3.34Å; D664-R734 PolarHBondContact O-NH2 3Å
665R92.4Very high86.8Confident28 Ų2855 Ų5511%0.10628%0.281CS..  trans6442.1-179-50.1-177.8179.4-161.7-4.7112.4Y628 S660 K661 Y662 F667 I668 F731 A732Y628-R665 HydrophobicContact CE1-CG 4.29Å; S660-R665 PolarHBondContact O-N 3.03Å; K661-R665 WeakPolarHBondContact O-CA 3.29Å; Y662-R665 WeakPolarHBondContact O-CG 3.35Å; Y662-R665 PolarHBondContact O-NE 2.78Å; R665-F667 PolarHBondContact O-N 2.67Å; R665-I668 HydrophobicContact CB-CD1 4.27Å; R665-I668 HydrophobicContact CB-CG2 4.2Å; R665-I668 WeakPolarHBondContact O-CG1 3.24Å; R665-F731 PolarHBondContact NH1-O 3.44Å; R665-A732 WeakPolarHBondContact CD-O 3.42Å; R665-A732 PolarHBondContact NH1-O 3.42Å
666R92Very high84.6Confident181 Ų18158.3 Ų58.368%0.68330%0.303SS*.THydrogen-bonded Turntrans-70-26.3-170.6-174.5173.5-178.9149.82.4114.6S660S660-R666 WeakPolarHBondContact O-CB 3.36Å; S660-R666 PolarHBondContact O-N 2.96Å
667F93.9Very high82.3Confident14 Ų1459.1 Ų59.16%0.06131%0.306CS..THydrogen-bonded Turntrans-104.419.6-172.1-43.1-60.3000113.3E629 S630 S631 L632 F657 K661 R665E629-F667 CarbonylContact C-O 3.32Å; E629-F667 VanDerWaalsContact C-O 3.32Å; S630-F667 PolarHBondContact N-O 3.34Å; S630-F667 VanDerWaalsContact N-O 3.11Å; S631-F667 PolarHBondContact N-O 3.46Å; S631-F667 WeakPolarHBondContact OG-CA 3.29Å; S631-F667 PolarHBondContact OG-O 3.39Å; L632-F667 HydrophobicContact CB-CB 4.22Å; L632-F667 HydrophobicContact CD1-CB 4.31Å; L632-F667 HydrophobicContact CD1-CD1 3.79Å; L632-F667 HydrophobicContact CD1-CD2 4.1Å; L632-F667 HydrophobicContact CD1-CE1 4.09Å; L632-F667 HydrophobicContact CD1-CE2 4.38Å; L632-F667 HydrophobicContact CD1-CG 3.8Å; L632-F667 HydrophobicContact CD1-CZ 4.37Å; F657-F667 AromaticContact CD2-CE2 3.68Å; F657-F667 HydrophobicContact CD2-CE2 3.68Å; F657-F667 AromaticContact CD2-CZ 3.89Å; F657-F667 HydrophobicContact CD2-CZ 3.89Å; F657-F667 HydrophobicContact CE2-CD2 4Å; F657-F667 AromaticContact CE2-CE2 3.41Å; F657-F667 HydrophobicContact CE2-CE2 3.41Å; F657-F667 VanDerWaalsContact CE2-CE2 3.41Å; F657-F667 AromaticContact CE2-CZ 3.86Å; F657-F667 HydrophobicContact CE2-CZ 3.86Å; F657-F667 HydrophobicContact CZ-CD2 4.49Å; F657-F667 HydrophobicContact CZ-CE2 4.2Å; K661-F667 HydrophobicContact CB-CD2 3.97Å; K661-F667 HydrophobicContact CB-CE2 4.06Å; K661-F667 HydrophobicContact CG-CD2 4.43Å; R665-F667 PolarHBondContact O-N 2.67Å
668I92.9Very high79.6Confident13 Ų1364.5 Ų64.57%0.06734%0.339CS..  trans-94.5137.6176.184.2179.4000110.2Y628 S631 R665 K670 A732 E733Y628-I668 HydrophobicContact CD1-CG2 4.46Å; S631-I668 PolarHBondContact OG-N 2.59Å; S631-I668 PolarHBondContact OG-O 2.87Å; R665-I668 HydrophobicContact CB-CD1 4.27Å; R665-I668 HydrophobicContact CB-CG2 4.2Å; R665-I668 WeakPolarHBondContact O-CG1 3.24Å; I668-K670 HydrophobicContact CG1-CG 4.28Å; I668-K670 PolarHBondContact O-N 2.73Å; I668-A732 HydrophobicContact CD1-CB 3.92Å; I668-A732 WeakPolarHBondContact CD1-O 3.46Å; I668-A732 HydrophobicContact CG2-CB 4.25Å; I668-E733 HydrophobicContact CD1-CG 4.06Å
669T91Very high76.7Confident71 Ų7170.2 Ų70.244%0.43637%0.374SS..  trans-78.5112.7166.2-530000108S630 Q729S630-T669 WeakPolarHBondContact CB-OG1 3.24Å; S630-T669 PolarHBondContact OG-N 3.06Å; S630-T669 PolarHBondContact OG-OG1 3.1Å; S630-T669 VanDerWaalsContact OG-OG1 3.06Å; T669-Q729 PolarHBondContact O-NE2 3.35Å
670K86Confident73.8Confident113 Ų11370.4 Ų70.449%0.49139%0.389SS..  trans-74.4127.3175.2-61.9-176.9179.7179.50109.8I668 T672 D674 E733I668-K670 HydrophobicContact CG1-CG 4.28Å; I668-K670 PolarHBondContact O-N 2.73Å; K670-T672 VanDerWaalsContact C-N 3.34Å; K670-D674 IonicContact NZ-OD2 2.81Å; K670-D674 PolarHBondContact NZ-OD2 3.39Å; K670-E733 HydrophobicContact CB-CG 4.49Å; K670-E733 HydrophobicContact CG-CG 4.39Å
671T84.2Confident71.1Confident81 Ų8177.1 Ų77.150%0.49742%0.424SS..SBendtrans-79.5-21.3172.562.20000112.1Q729 E733T671-Q729 HydrophobicContact CG2-CG 4.13Å; T671-E733 WeakPolarHBondContact CB-OE1 3.47Å; T671-E733 VanDerWaalsContact N-CD 3.29Å; T671-E733 PolarHBondContact N-OE1 3.31Å; T671-E733 PolarHBondContact N-OE2 2.79Å; T671-E733 PolarHBondContact OG1-OE1 3.14Å; T671-E733 PolarHBondContact OG1-OE2 2.72Å
672T81.4Confident68.2Low16 Ų1682.6 Ų82.610%0.09846%0.462CS..SBendtrans-115.8149.5179.261.40000112.7K670 R703 A707 F710 L711 E733K670-T672 VanDerWaalsContact C-N 3.34Å; T672-R703 PolarHBondContact OG1-NH2 2.8Å; T672-A707 HydrophobicContact CG2-CB 4.44Å; T672-F710 HydrophobicContact CG2-CB 3.89Å; T672-L711 HydrophobicContact CG2-CD2 3.89Å; T672-L711 HydrophobicContact CG2-CG 3.98Å; T672-E733 PolarHBondContact N-OE2 2.73Å; T672-E733 VanDerWaalsContact N-OE2 3.14Å; T672-E733 PolarHBondContact OG1-OE2 3.04Å
673S66.7Low65.3Low80 Ų8090 Ų9056%0.55950%0.502SS*.  trans-88.1122.7-179.151.10000112.2S675S673-S675 PolarHBondContact O-N 2.89Å
674D57.8Low62.5Low89 Ų8997 Ų9748%0.47654%0.538SS..  trans-77.763169.9-69.2-38.7000111.6K670 L676K670-D674 IonicContact NZ-OD2 2.81Å; K670-D674 PolarHBondContact NZ-OD2 3.39Å; D674-L676 VanDerWaalsContact C-N 3.3Å; D674-L676 PolarHBondContact O-N 3.45Å
675S47Very low59.8Low60 Ų60102.8 Ų102.842%0.4256%0.555SS.*  trans-74.187.2164.444.40000109.4S673 I677S673-S675 PolarHBondContact O-N 2.89Å; S675-I677 PolarHBondContact O-N 3.39Å
676L45.9Very low57Low134 Ų134107.9 Ų107.970%0.70259%0.585SS**  trans-50.7123.8164.3-77170.3000108.9D674 V678D674-L676 VanDerWaalsContact C-N 3.3Å; D674-L676 PolarHBondContact O-N 3.45Å; L676-V678 PolarHBondContact O-N 3.09Å
677I41.8Very low54.2Low114 Ų114105.3 Ų105.359%0.58559%0.589SS**  trans-75.781.1-179.4-53.5178.5000108.7S675 T679S675-I677 PolarHBondContact O-N 3.39Å; I677-T679 HydrophobicContact CG2-CG2 4.18Å; I677-T679 PolarHBondContact O-N 3.42Å
678V37.5Very low51.4Low124 Ų124111.9 Ų111.975%0.75262%0.624SS**  trans-66.3102.2160.5-1800000106.5L676 S680L676-V678 PolarHBondContact O-N 3.09Å; V678-S680 PolarHBondContact O-N 2.87Å
679T35.9Very low48.6Very low120 Ų120115.9 Ų115.974%0.73665%0.653SS**  trans-64.8106.8176.936.50000109I677 N681I677-T679 HydrophobicContact CG2-CG2 4.18Å; I677-T679 PolarHBondContact O-N 3.42Å; T679-N681 PolarHBondContact O-N 3.4Å
680S32.6Very low45.7Very low114 Ų114119.4 Ų119.480%0.79767%0.669SS**  trans-71.686.7-169.251.10000112V678V678-S680 PolarHBondContact O-N 2.87Å
681N37Very low43.3Very low160 Ų160119.7 Ų119.786%0.85668%0.676SS**  trans-147.633.8176.6-112.9-11.7000115T679T679-N681 PolarHBondContact O-N 3.4Å
682S35.1Very low40.7Very low115 Ų115122.4 Ų122.480%0.80469%0.687SS**  trans-153.6144.8148.548.20000109.9
683L36.3Very low38.6Very low163 Ų163130.9 Ų130.985%0.85372%0.723SS**  trans-87.9131.6163.2-6198.7000107.4
684D34.6Very low36.8Very low167 Ų167132.2 Ų132.289%0.89373%0.732SS**  -161.7157.6114.4-99.9-29.4000110.9
685Y34.1Very low35.7Very low201 Ų201136.5 Ų136.579%0.78875%0.747SS**  trans-114.8137.7-158.3-142.7-111.3000111.9
686N32.4Very low35.1Very low136 Ų136138 Ų13873%0.72776%0.758SS**  trans50.496.7166.3-65.8-15.1000117.6
687T33.1Very low34.4Very low127 Ų127138.8 Ų138.878%0.77976%0.762SS**  trans-143.5117.4157.4-74.30000111.7
688I35.8Very low33.9Very low152 Ų152140.7 Ų140.778%0.77977%0.774SS**  trans63.9102.2161.1-61.3167.3000117.4
689S34.6Very low34Very low97 Ų97139 Ų13968%0.67876%0.76SS**  trans-65.5156151.853.70000112.6
690N30.4Very low33.8Very low145 Ų145139 Ų13978%0.77576%0.764SS**  trans71.997.6169-54.9-19.6000116.9
691N33.9Very low34.3Very low118 Ų118138.7 Ų138.763%0.63176%0.758SS**  trans-159144.7131.7-121.9-10.6000111.5L1254N691-L1254 PolarHBondContact ND2-O 2.9Å
692N31.5Very low35Very low139 Ų139136 Ų13674%0.74375%0.752SS**  trans-82.1135.9-179.7-69-34.6000111.6
693K36Very low36.4Very low193 Ų193133 Ų13384%0.83972%0.723SS**  trans-168.4146.1143.4-112.2165.4-175.7-177.60113.5
694S29.7Very low38.1Very low108 Ų108126.5 Ų126.576%0.75569%0.689SS**  trans-2.9119.6158.652.60000118.1
695F35.1Very low40.2Very low179 Ų179122.4 Ų122.479%0.78567%0.671SS**  trans-110.5132.1147.8-97.3-110.6000108.2I699F695-I699 HydrophobicContact CD1-CD1 3.6Å; F695-I699 HydrophobicContact CE1-CD1 3.48Å; F695-I699 VanDerWaalsContact CE1-CD1 3.48Å
696S32.8Very low42.5Very low93 Ų93117.9 Ų117.965%0.6566%0.66SS**  trans-88.2157.9175.839.20000111.2D698S696-D698 PolarHBondContact O-N 3.31Å; S696-D698 VanDerWaalsContact O-N 3.09Å
697D32.3Very low44.9Very low149 Ų149111.6 Ų111.680%0.79763%0.626SS**SBendtrans-74.16.6-170.6-74.3-67.1000115.5
698D32.3Very low47.4Very low154 Ų154108.4 Ų108.482%0.82460%0.603SS**  trans-98.827.3-173.6-85-64000115.4S696S696-D698 PolarHBondContact O-N 3.31Å; S696-D698 VanDerWaalsContact O-N 3.09Å
699I37.7Very low49.8Very low90 Ų90105.4 Ų105.446%0.46258%0.582SS.*  trans-94.1114.1168.6-57.3-170.4000110.1F695 T701F695-I699 HydrophobicContact CD1-CD1 3.6Å; F695-I699 HydrophobicContact CE1-CD1 3.48Å; F695-I699 VanDerWaalsContact CE1-CD1 3.48Å; I699-T701 HydrophobicContact CB-CG2 4.22Å; I699-T701 HydrophobicContact CG2-CG2 3.72Å; I699-T701 PolarHBondContact O-N 2.76Å
700S33Very low52.5Low118 Ų118105.9 Ų105.983%0.82557%0.571SS**  trans-63.373.5161.743.70000110.4S702S700-S702 PolarHBondContact O-N 3.34Å
701T43.6Very low55.4Low108 Ų10899 Ų9966%0.66354%0.535SS*.  trans-65.594.5-179.639.30000109.6I699 R703I699-T701 HydrophobicContact CB-CG2 4.22Å; I699-T701 HydrophobicContact CG2-CG2 3.72Å; I699-T701 PolarHBondContact O-N 2.76Å; T701-R703 VanDerWaalsContact C-N 3.29Å; T701-R703 PolarHBondContact O-N 3.07Å
702S51.2Low58.1Low105 Ų10593.4 Ų93.473%0.73451%0.505SS*.  trans-63.993.4169.248.10000109S700S700-S702 PolarHBondContact O-N 3.34Å
703R63.4Low60.9Low51 Ų5189 Ų8919%0.19248%0.478CS..  trans-55.3150.6169.7-161.8-174.1-162.2118.44.4108.7T672 T701 P705 A707 E733T672-R703 PolarHBondContact OG1-NH2 2.8Å; T701-R703 VanDerWaalsContact C-N 3.29Å; T701-R703 PolarHBondContact O-N 3.07Å; R703-P705 VanDerWaalsContact O-CD 3.28Å; R703-P705 WeakPolarHBondContact O-CD 3.1Å; R703-P705 VanDerWaalsContact O-N 3.12Å; R703-A707 HydrophobicContact CG-CB 4.23Å; R703-E733 PolarHBondContact NH1-O 3.46Å; R703-E733 IonicContact NH2-OE2 3.84Å
704D72.7Confident63.6Low26 Ų2681 Ų8114%0.13944%0.444CS..  trans-50.5120.6164.6175.53.2000109.3I706 A707 E708D704-I706 PolarHBondContact O-N 3.02Å; D704-I706 VanDerWaalsContact O-N 3.09Å; D704-I706 WeakPolarHBondContact OD1-CB 3.45Å; D704-I706 WeakPolarHBondContact OD1-CG1 3.13Å; D704-I706 PolarHBondContact OD1-N 3.28Å; D704-A707 HydrophobicContact CB-CB 4.07Å; D704-A707 WeakPolarHBondContact O-CB 3.41Å; D704-A707 PolarHBondContact O-N 2.96Å; D704-E708 PolarHBondContact O-N 2.84Å
705P79Confident66.7Low82 Ų8275.8 Ų75.853%0.53241%0.408SS..Hα-helixtrans-56.4-24.5178.5-2736.1000113.7R703 R709R703-P705 VanDerWaalsContact O-CD 3.28Å; R703-P705 WeakPolarHBondContact O-CD 3.1Å; R703-P705 VanDerWaalsContact O-N 3.12Å; P705-R709 WeakPolarHBondContact O-CB 3.48Å; P705-R709 PolarHBondContact O-N 2.82Å
706I81.8Confident69.3Low106 Ų10667.5 Ų67.554%0.54437%0.372SS..Hα-helixtrans-69.9-50.7174.4-59.2172.1000109.9D704 E708 R709 F710D704-I706 PolarHBondContact O-N 3.02Å; D704-I706 VanDerWaalsContact O-N 3.09Å; D704-I706 WeakPolarHBondContact OD1-CB 3.45Å; D704-I706 WeakPolarHBondContact OD1-CG1 3.13Å; D704-I706 PolarHBondContact OD1-N 3.28Å; I706-E708 VanDerWaalsContact C-N 3.33Å; I706-E708 PolarHBondContact O-N 2.92Å; I706-R709 WeakPolarHBondContact O-CB 3.32Å; I706-R709 PolarHBondContact O-N 3.3Å; I706-R709 VanDerWaalsContact O-N 3.16Å; I706-F710 HydrophobicContact CG2-CD2 3.91Å; I706-F710 HydrophobicContact CG2-CE2 3.58Å; I706-F710 WeakPolarHBondContact O-CD2 3.48Å; I706-F710 PolarHBondContact O-N 2.78Å
707A82.9Confident72.1Confident3 Ų368.5 Ų68.53%0.02536%0.361CS..Hα-helixtrans-60.7-40.2175.500000112.2T672 R703 D704 F710 L711T672-A707 HydrophobicContact CG2-CB 4.44Å; R703-A707 HydrophobicContact CG-CB 4.23Å; D704-A707 HydrophobicContact CB-CB 4.07Å; D704-A707 WeakPolarHBondContact O-CB 3.41Å; D704-A707 PolarHBondContact O-N 2.96Å; A707-F710 PolarHBondContact O-N 3.43Å; A707-L711 PolarHBondContact O-N 2.94Å; A707-L711 VanDerWaalsContact O-N 3.16Å
708E85.4Confident74.9Confident60 Ų6061.4 Ų61.428%0.2832%0.323SS..Hα-helixtrans-62.2-43.6173.4-168-151.793.700111.6D704 I706 F710 L711 R712 L735 K742D704-E708 PolarHBondContact O-N 2.84Å; I706-E708 VanDerWaalsContact C-N 3.33Å; I706-E708 PolarHBondContact O-N 2.92Å; E708-F710 VanDerWaalsContact C-N 3.34Å; E708-F710 PolarHBondContact O-N 3.44Å; E708-L711 PolarHBondContact O-N 3.35Å; E708-R712 WeakPolarHBondContact O-CG 3.35Å; E708-R712 PolarHBondContact O-N 3.09Å; E708-R712 IonicContact OE1-CZ 3.47Å; E708-R712 IonicContact OE1-NE 3.58Å; E708-R712 PolarHBondContact OE1-NE 3.4Å; E708-R712 IonicContact OE1-NH2 2.73Å; E708-L735 HydrophobicContact CG-CD1 3.97Å; E708-K742 IonicContact OE1-NZ 3.66Å
709R87.2Confident77.7Confident90 Ų9054 Ų5434%0.3428%0.284SS..Hα-helixtrans-61.5-40.4176.3-172.6176.1171.1-172.4-20.2112P705 I706 R712 R713 E744P705-R709 WeakPolarHBondContact O-CB 3.48Å; P705-R709 PolarHBondContact O-N 2.82Å; I706-R709 WeakPolarHBondContact O-CB 3.32Å; I706-R709 PolarHBondContact O-N 3.3Å; I706-R709 VanDerWaalsContact O-N 3.16Å; R709-R712 PolarHBondContact O-N 2.9Å; R709-R713 WeakPolarHBondContact O-CD 3.33Å; R709-R713 VanDerWaalsContact O-CG 3.25Å; R709-R713 WeakPolarHBondContact O-CG 3.34Å; R709-R713 PolarHBondContact O-N 2.77Å; R709-E744 VanDerWaalsContact CD-CD 3.46Å; R709-E744 WeakPolarHBondContact CD-OE2 3.47Å; R709-E744 VanDerWaalsContact CZ-O 3.25Å; R709-E744 IonicContact CZ-OE2 3.07Å; R709-E744 PolarHBondContact NE-O 3.26Å; R709-E744 VanDerWaalsContact NE-O 3.07Å; R709-E744 IonicContact NE-OE1 2.76Å; R709-E744 IonicContact NE-OE2 2.67Å; R709-E744 PolarHBondContact NE-OE2 2.87Å; R709-E744 IonicContact NH1-OE2 3.3Å; R709-E744 PolarHBondContact NH1-OE2 3.45Å; R709-E744 PolarHBondContact NH2-O 3.02Å
710F89.9Confident80Confident106 Ų10652.9 Ų52.947%0.46528%0.275SS..Hα-helixtrans-59.8-47.4174.3-80.6-66.2000112.1T672 I706 A707 E708 R712 R713 D714T672-F710 HydrophobicContact CG2-CB 3.89Å; I706-F710 HydrophobicContact CG2-CD2 3.91Å; I706-F710 HydrophobicContact CG2-CE2 3.58Å; I706-F710 WeakPolarHBondContact O-CD2 3.48Å; I706-F710 PolarHBondContact O-N 2.78Å; A707-F710 PolarHBondContact O-N 3.43Å; E708-F710 VanDerWaalsContact C-N 3.34Å; E708-F710 PolarHBondContact O-N 3.44Å; F710-R712 PolarHBondContact O-N 3.06Å; F710-R713 WeakPolarHBondContact O-CB 3.43Å; F710-R713 PolarHBondContact O-N 3.05Å; F710-D714 PolarHBondContact O-N 2.95Å
711L91.6Very high82.5Confident0 Ų050.8 Ų50.80%026%0.258CS..Hα-helixtrans-67.5-32.3176.1-65.1-171.5000113.4T672 A707 E708 R713 D714 L715 V730 E733 L735T672-L711 HydrophobicContact CG2-CD2 3.89Å; T672-L711 HydrophobicContact CG2-CG 3.98Å; A707-L711 PolarHBondContact O-N 2.94Å; A707-L711 VanDerWaalsContact O-N 3.16Å; E708-L711 PolarHBondContact O-N 3.35Å; L711-R713 VanDerWaalsContact C-N 3.34Å; L711-D714 PolarHBondContact O-N 3.46Å; L711-L715 VanDerWaalsContact O-CB 3.28Å; L711-L715 WeakPolarHBondContact O-CB 3.41Å; L711-L715 PolarHBondContact O-N 3.43Å; L711-V730 HydrophobicContact CD2-CG2 4.48Å; L711-E733 HydrophobicContact CD1-CB 3.64Å; L711-E733 HydrophobicContact CD2-CB 4.46Å; L711-L735 HydrophobicContact CB-CB 4.34Å; L711-L735 HydrophobicContact CB-CD2 3.83Å; L711-L735 HydrophobicContact CB-CG 4.49Å; L711-L735 HydrophobicContact CD1-CB 4.14Å
712R91.3Very high84.6Confident2 Ų246.6 Ų46.61%0.00824%0.236CC..Hα-helixtrans-62.5-39.8171.8-74.8-172.9-76.6118.82.9111.8E708 R709 F710 L715 L716 L735 T739 F741 K742 E744 D745E708-R712 WeakPolarHBondContact O-CG 3.35Å; E708-R712 PolarHBondContact O-N 3.09Å; E708-R712 IonicContact OE1-CZ 3.47Å; E708-R712 IonicContact OE1-NE 3.58Å; E708-R712 PolarHBondContact OE1-NE 3.4Å; E708-R712 IonicContact OE1-NH2 2.73Å; R709-R712 PolarHBondContact O-N 2.9Å; F710-R712 PolarHBondContact O-N 3.06Å; R712-L715 PolarHBondContact O-N 2.78Å; R712-L716 WeakPolarHBondContact O-CB 3.37Å; R712-L716 PolarHBondContact O-N 3.44Å; R712-L735 HydrophobicContact CG-CD2 4.18Å; R712-T739 HydrophobicContact CG-CG2 4.21Å; R712-F741 WeakPolarHBondContact O-CE1 3.22Å; R712-K742 VanDerWaalsContact CZ-NZ 3.35Å; R712-K742 VanDerWaalsContact NH1-CD 3.29Å; R712-E744 IonicContact CZ-OE1 2.73Å; R712-E744 IonicContact NH1-OE1 2.77Å; R712-E744 PolarHBondContact NH1-OE1 3.14Å; R712-E744 VanDerWaalsContact NH1-OE1 3.09Å; R712-E744 IonicContact NH2-OE1 3.76Å; R712-E744 PolarHBondContact NH2-OE1 2.75Å; R712-D745 IonicContact CZ-OD1 3.31Å; R712-D745 IonicContact CZ-OD2 3.62Å; R712-D745 IonicContact NH1-OD1 3.68Å; R712-D745 PolarHBondContact NH1-OD1 2.89Å; R712-D745 IonicContact NH1-OD2 2.73Å; R712-D745 PolarHBondContact NH1-OD2 3.3Å
713R90.9Very high86.4Confident45 Ų4544.8 Ų44.817%0.1722%0.218CC..Hα-helixtrans-66.1-41.3175-69152.463.882.5-4111.9R709 F710 L711 L716 R717 D745 D747R709-R713 WeakPolarHBondContact O-CD 3.33Å; R709-R713 VanDerWaalsContact O-CG 3.25Å; R709-R713 WeakPolarHBondContact O-CG 3.34Å; R709-R713 PolarHBondContact O-N 2.77Å; F710-R713 WeakPolarHBondContact O-CB 3.43Å; F710-R713 PolarHBondContact O-N 3.05Å; L711-R713 VanDerWaalsContact C-N 3.34Å; R713-L716 PolarHBondContact O-N 3.27Å; R713-R717 PolarHBondContact O-N 2.99Å; R713-D745 HydrophobicContact CG-CB 4.23Å; R713-D745 WeakPolarHBondContact CG-O 3.34Å; R713-D747 IonicContact CZ-OD1 2.6Å; R713-D747 IonicContact CZ-OD2 3.12Å; R713-D747 VanDerWaalsContact NH1-CG 3.27Å; R713-D747 IonicContact NH1-OD1 2.82Å; R713-D747 PolarHBondContact NH1-OD1 3.14Å; R713-D747 IonicContact NH1-OD2 3.2Å; R713-D747 PolarHBondContact NH1-OD2 3.37Å; R713-D747 IonicContact NH2-OD1 2.83Å; R713-D747 PolarHBondContact NH2-OD1 3.29Å; R713-D747 IonicContact NH2-OD2 2.72Å; R713-D747 PolarHBondContact NH2-OD2 3.13Å
714D92.2Very high87.7Confident25 Ų2543.1 Ų43.113%0.13421%0.213CC..Hα-helixtrans-71.9-33.6177.3-75.5-4000112.5F710 L711 R717 A718 L726 V730F710-D714 PolarHBondContact O-N 2.95Å; L711-D714 PolarHBondContact O-N 3.46Å; D714-R717 PolarHBondContact O-N 2.95Å; D714-R717 IonicContact OD1-CZ 2.71Å; D714-R717 IonicContact OD1-NH1 2.88Å; D714-R717 PolarHBondContact OD1-NH1 3.47Å; D714-R717 IonicContact OD1-NH2 3.19Å; D714-R717 PolarHBondContact OD1-NH2 2.91Å; D714-A718 WeakPolarHBondContact O-CB 3.33Å; D714-A718 PolarHBondContact O-N 2.96Å; D714-L726 HydrophobicContact CB-CD1 4.18Å; D714-L726 HydrophobicContact CB-CD2 4.41Å; D714-L726 HydrophobicContact CB-CG 4.4Å; D714-L726 WeakPolarHBondContact O-CD2 3.3Å; D714-V730 HydrophobicContact CB-CG2 3.92Å
715L93.4Very high88.7Confident0 Ų043.6 Ų43.60%022%0.219CC..Hα-helixtrans-62-45.2170.2-175.655.7000111.5L711 R712 A718 V719 L727 V730 L735 L737 F741 A759L711-L715 VanDerWaalsContact O-CB 3.28Å; L711-L715 WeakPolarHBondContact O-CB 3.41Å; L711-L715 PolarHBondContact O-N 3.43Å; R712-L715 PolarHBondContact O-N 2.78Å; L715-A718 PolarHBondContact O-N 3.4Å; L715-V719 PolarHBondContact O-N 2.8Å; L715-V719 VanDerWaalsContact O-N 3.14Å; L715-L727 HydrophobicContact CD1-CD1 3.53Å; L715-V730 HydrophobicContact CB-CG1 4.04Å; L715-V730 HydrophobicContact CB-CG2 4.47Å; L715-V730 HydrophobicContact CD1-CG1 4.13Å; L715-V730 HydrophobicContact CG-CG1 4.46Å; L715-L735 HydrophobicContact CB-CD2 4.42Å; L715-L735 HydrophobicContact CD2-CD2 3.93Å; L715-L737 HydrophobicContact CD1-CD2 3.9Å; L715-F741 HydrophobicContact CB-CE1 4.09Å; L715-F741 HydrophobicContact CD2-CE1 4.13Å; L715-F741 HydrophobicContact CD2-CZ 4.3Å; L715-F741 HydrophobicContact CG-CE1 4Å; L715-F741 HydrophobicContact CG-CZ 4.01Å; L715-A759 HydrophobicContact CD1-CB 3.89Å; L715-A759 HydrophobicContact CD2-CB 3.99Å; L715-A759 HydrophobicContact CG-CB 3.88Å
716L91.6Very high89.4Confident4 Ų441 Ų412%0.02120%0.2CC..Hα-helixtrans-61.2-44.4175-178.464.8000110.9R712 R713 K720 F741 D745 N746 F753 I762R712-L716 WeakPolarHBondContact O-CB 3.37Å; R712-L716 PolarHBondContact O-N 3.44Å; R713-L716 PolarHBondContact O-N 3.27Å; L716-K720 HydrophobicContact CD1-CD 4.41Å; L716-K720 HydrophobicContact CD1-CG 4.38Å; L716-K720 HydrophobicContact CG-CD 4.19Å; L716-K720 WeakPolarHBondContact O-CB 3.4Å; L716-K720 WeakPolarHBondContact O-CG 3.5Å; L716-K720 PolarHBondContact O-N 2.77Å; L716-F741 HydrophobicContact CB-CD1 4.08Å; L716-F741 HydrophobicContact CB-CE1 3.69Å; L716-F741 HydrophobicContact CB-CZ 4.07Å; L716-F741 HydrophobicContact CD1-CD1 4.47Å; L716-F741 HydrophobicContact CD1-CD2 4.15Å; L716-F741 HydrophobicContact CD1-CE1 4.35Å; L716-F741 HydrophobicContact CD1-CE2 4.02Å; L716-F741 HydrophobicContact CD1-CG 4.38Å; L716-F741 HydrophobicContact CD1-CZ 4.12Å; L716-D745 WeakPolarHBondContact CD2-O 3.46Å; L716-N746 HydrophobicContact CD2-CB 4.24Å; L716-F753 HydrophobicContact CD1-CD1 4.23Å; L716-F753 HydrophobicContact CD1-CE1 4.06Å; L716-F753 HydrophobicContact CD2-CE1 3.69Å; L716-F753 HydrophobicContact CD2-CZ 4.36Å; L716-I762 HydrophobicContact CD1-CD1 3.49Å; L716-I762 VanDerWaalsContact CD1-CD1 3.49Å
717R90Very high90Very high114 Ų11436 Ų3643%0.4317%0.174SC..Hα-helixtrans-62.6-44.9176.1-164.5-171.9-54.4115.417.4111.6R713 D714 V719 K720 T721 L726R713-R717 PolarHBondContact O-N 2.99Å; D714-R717 PolarHBondContact O-N 2.95Å; D714-R717 IonicContact OD1-CZ 2.71Å; D714-R717 IonicContact OD1-NH1 2.88Å; D714-R717 PolarHBondContact OD1-NH1 3.47Å; D714-R717 IonicContact OD1-NH2 3.19Å; D714-R717 PolarHBondContact OD1-NH2 2.91Å; R717-V719 VanDerWaalsContact C-N 3.34Å; R717-V719 PolarHBondContact O-N 3.34Å; R717-K720 PolarHBondContact O-N 3.11Å; R717-T721 HydrophobicContact CG-CG2 4.2Å; R717-T721 WeakPolarHBondContact O-CB 3.41Å; R717-T721 WeakPolarHBondContact O-CG2 3.46Å; R717-T721 PolarHBondContact O-N 3.05Å; R717-T721 PolarHBondContact O-OG1 3.41Å; R717-L726 HydrophobicContact CB-CD2 4.06Å; R717-L726 HydrophobicContact CG-CD2 4.31Å
718A91.5Very high90.6Very high0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-56.1-49179.900000111.3D714 L715 T721 G722 N723 L726 L727D714-A718 WeakPolarHBondContact O-CB 3.33Å; D714-A718 PolarHBondContact O-N 2.96Å; L715-A718 PolarHBondContact O-N 3.4Å; A718-T721 PolarHBondContact O-N 2.95Å; A718-T721 PolarHBondContact O-OG1 3.47Å; A718-G722 PolarHBondContact O-N 2.85Å; A718-G722 VanDerWaalsContact O-N 3.12Å; A718-N723 PolarHBondContact O-N 3.2Å; A718-L726 HydrophobicContact CB-CB 3.91Å; A718-L726 HydrophobicContact CB-CD2 4.13Å; A718-L726 HydrophobicContact CB-CG 3.98Å; A718-L727 HydrophobicContact CB-CB 4.13Å
719V90.4Very high91Very high0 Ų034 Ų340%016%0.164CC..Hα-helixtrans-71.7-43.2-179.9-179.10000112.7L715 R717 T721 A759 I762 A763 I825L715-V719 PolarHBondContact O-N 2.8Å; L715-V719 VanDerWaalsContact O-N 3.14Å; R717-V719 VanDerWaalsContact C-N 3.34Å; R717-V719 PolarHBondContact O-N 3.34Å; V719-T721 PolarHBondContact O-N 2.64Å; V719-A759 HydrophobicContact CG2-CB 3.99Å; V719-I762 HydrophobicContact CG1-CB 3.81Å; V719-I762 HydrophobicContact CG1-CG2 3.75Å; V719-A763 VanDerWaalsContact CG1-CA 3.47Å; V719-A763 HydrophobicContact CG1-CB 3.71Å; V719-I825 HydrophobicContact CG2-CD1 4.37Å
720K86.4Confident91.3Very high65 Ų6529.8 Ų29.828%0.28315%0.149SC..Hα-helixtrans-57.1-35.5175.4-80.5-177.2172.8-172.60112.7L716 R717 N746L716-K720 HydrophobicContact CD1-CD 4.41Å; L716-K720 HydrophobicContact CD1-CG 4.38Å; L716-K720 HydrophobicContact CG-CD 4.19Å; L716-K720 WeakPolarHBondContact O-CB 3.4Å; L716-K720 WeakPolarHBondContact O-CG 3.5Å; L716-K720 PolarHBondContact O-N 2.77Å; R717-K720 PolarHBondContact O-N 3.11Å; K720-N746 PolarHBondContact NZ-OD1 3.48Å
721T86.3Confident91.5Very high74 Ų7426 Ų2645%0.45413%0.132SC..Hα-helixtrans-101.2-4.2-171.259.30000115.2R717 A718 V719 N723R717-T721 HydrophobicContact CG-CG2 4.2Å; R717-T721 WeakPolarHBondContact O-CB 3.41Å; R717-T721 WeakPolarHBondContact O-CG2 3.46Å; R717-T721 PolarHBondContact O-N 3.05Å; R717-T721 PolarHBondContact O-OG1 3.41Å; A718-T721 PolarHBondContact O-N 2.95Å; A718-T721 PolarHBondContact O-OG1 3.47Å; V719-T721 PolarHBondContact O-N 2.64Å; T721-N723 VanDerWaalsContact C-N 3.25Å; T721-N723 PolarHBondContact O-N 3.2Å; T721-N723 WeakPolarHBondContact OG1-CB 3.5Å
722G86.5Confident91.6Very high20 Ų2026 Ų2621%0.20613%0.132CC..THydrogen-bonded Turntrans74.711.6-172.800000114.2A718 L724 N818A718-G722 PolarHBondContact O-N 2.85Å; A718-G722 VanDerWaalsContact O-N 3.12Å; G722-L724 PolarHBondContact O-N 2.95Å; G722-L724 VanDerWaalsContact O-N 3.13Å; G722-N818 VanDerWaalsContact CA-OD1 3.27Å; G722-N818 WeakPolarHBondContact CA-OD1 3.33Å
723N90Very high91.7Very high67 Ų6726.2 Ų26.236%0.35813%0.133SC..  trans-83.793.9-170.2-172.6-15000112.4A718 T721 S725 L726 L727A718-N723 PolarHBondContact O-N 3.2Å; T721-N723 VanDerWaalsContact C-N 3.25Å; T721-N723 PolarHBondContact O-N 3.2Å; T721-N723 WeakPolarHBondContact OG1-CB 3.5Å; N723-S725 PolarHBondContact O-N 3.16Å; N723-S725 WeakPolarHBondContact OD1-CB 3.49Å; N723-S725 PolarHBondContact OD1-N 3.07Å; N723-S725 VanDerWaalsContact OD1-N 3.12Å; N723-L726 HydrophobicContact CB-CB 4.19Å; N723-L726 PolarHBondContact O-N 3.23Å; N723-L726 PolarHBondContact OD1-N 3.21Å; N723-L727 PolarHBondContact O-N 3.32Å; N723-L727 VanDerWaalsContact O-N 3.15Å
724L91.3Very high91.6Very high17 Ų1730.4 Ų30.49%0.08915%0.149CC..Hα-helixtrans-65.3-31.8179-172.353.6000113.5F618 I619 L623 G722 L727 I728 P820 L821 F824F618-L724 HydrophobicContact CB-CD2 4.21Å; I619-L724 HydrophobicContact CD1-CD1 4.31Å; I619-L724 HydrophobicContact CD1-CD2 4.47Å; I619-L724 HydrophobicContact CG1-CD1 4.2Å; I619-L724 HydrophobicContact CG1-CD2 3.53Å; I619-L724 HydrophobicContact CG1-CG 3.95Å; L623-L724 HydrophobicContact CD2-CB 4.29Å; L623-L724 HydrophobicContact CD2-CD2 4.23Å; L623-L724 HydrophobicContact CD2-CG 4.12Å; G722-L724 PolarHBondContact O-N 2.95Å; G722-L724 VanDerWaalsContact O-N 3.13Å; L724-L727 HydrophobicContact CD1-CD2 4.36Å; L724-L727 PolarHBondContact O-N 3.1Å; L724-I728 HydrophobicContact CD1-CD1 4.46Å; L724-I728 HydrophobicContact CG-CD1 4.24Å; L724-I728 WeakPolarHBondContact O-CD1 3.49Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.06Å; L724-P820 HydrophobicContact CD2-CB 4.18Å; L724-L821 HydrophobicContact CB-CD2 4.04Å; L724-L821 HydrophobicContact CD1-CD2 3.83Å; L724-F824 HydrophobicContact CD1-CB 4.41Å
725S92.7Very high91.5Very high36 Ų3629.9 Ų29.925%0.25215%0.146SC..Hα-helixtrans-65.9-44.6174.5172.90000111.5N723 L727 I728 Q729N723-S725 PolarHBondContact O-N 3.16Å; N723-S725 WeakPolarHBondContact OD1-CB 3.49Å; N723-S725 PolarHBondContact OD1-N 3.07Å; N723-S725 VanDerWaalsContact OD1-N 3.12Å; S725-L727 VanDerWaalsContact C-N 3.32Å; S725-L727 PolarHBondContact O-N 3.07Å; S725-I728 PolarHBondContact O-N 2.86Å; S725-Q729 PolarHBondContact O-N 2.69Å
726L93.9Very high91.4Very high27 Ų2732.6 Ų32.614%0.14116%0.16CC..Hα-helixtrans-66.9-34.2177.5-171.261.3000111.9D714 R717 A718 N723 Q729 V730D714-L726 HydrophobicContact CB-CD1 4.18Å; D714-L726 HydrophobicContact CB-CD2 4.41Å; D714-L726 HydrophobicContact CB-CG 4.4Å; D714-L726 WeakPolarHBondContact O-CD2 3.3Å; R717-L726 HydrophobicContact CB-CD2 4.06Å; R717-L726 HydrophobicContact CG-CD2 4.31Å; A718-L726 HydrophobicContact CB-CB 3.91Å; A718-L726 HydrophobicContact CB-CD2 4.13Å; A718-L726 HydrophobicContact CB-CG 3.98Å; N723-L726 HydrophobicContact CB-CB 4.19Å; N723-L726 PolarHBondContact O-N 3.23Å; N723-L726 PolarHBondContact OD1-N 3.21Å; L726-Q729 PolarHBondContact O-N 3.19Å; L726-V730 WeakPolarHBondContact O-CG2 3.26Å; L726-V730 PolarHBondContact O-N 3.24Å
727L94.6Very high91.4Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-63-42.8171.4-177.565.4000111.8L715 A718 N723 L724 S725 V730 F731 L737 L821 F824 I825L715-L727 HydrophobicContact CD1-CD1 3.53Å; A718-L727 HydrophobicContact CB-CB 4.13Å; N723-L727 PolarHBondContact O-N 3.32Å; N723-L727 VanDerWaalsContact O-N 3.15Å; L724-L727 HydrophobicContact CD1-CD2 4.36Å; L724-L727 PolarHBondContact O-N 3.1Å; S725-L727 VanDerWaalsContact C-N 3.32Å; S725-L727 PolarHBondContact O-N 3.07Å; L727-V730 PolarHBondContact O-N 2.85Å; L727-F731 WeakPolarHBondContact O-CB 3.44Å; L727-F731 PolarHBondContact O-N 2.9Å; L727-L737 HydrophobicContact CD1-CD1 4.38Å; L727-L737 HydrophobicContact CD1-CD2 3.87Å; L727-L821 HydrophobicContact CB-CD2 4.18Å; L727-L821 HydrophobicContact CD2-CB 4.16Å; L727-L821 HydrophobicContact CD2-CD2 3.55Å; L727-L821 HydrophobicContact CD2-CG 4.45Å; L727-L821 HydrophobicContact CG-CD2 4.5Å; L727-F824 HydrophobicContact CD2-CB 4.18Å; L727-F824 HydrophobicContact CD2-CD1 3.73Å; L727-F824 HydrophobicContact CD2-CG 4.31Å; L727-F824 HydrophobicContact CG-CD1 3.96Å; L727-F824 HydrophobicContact CG-CE1 4.39Å; L727-I825 HydrophobicContact CD1-CD1 4.4Å; L727-I825 HydrophobicContact CD1-CG1 4.17Å; L727-I825 HydrophobicContact CD2-CD1 4.41Å; L727-I825 HydrophobicContact CD2-CG1 4.04Å
728I94.9Very high91.5Very high0 Ų027.2 Ų27.20%014%0.14CC..Hα-helixtrans-66.8-36.4176.7-64.9162000110.8I619 L623 F624 V627 Y628 L724 S725 F731 A732 F824I619-I728 HydrophobicContact CD1-CD1 4.14Å; I619-I728 HydrophobicContact CG1-CD1 4.27Å; I619-I728 HydrophobicContact CG2-CD1 3.91Å; L623-I728 HydrophobicContact CD2-CD1 4.45Å; F624-I728 HydrophobicContact CD2-CG2 4.31Å; F624-I728 HydrophobicContact CE2-CG2 4.33Å; V627-I728 HydrophobicContact CB-CG2 3.99Å; V627-I728 HydrophobicContact CG1-CG2 4Å; V627-I728 HydrophobicContact CG2-CB 4.41Å; V627-I728 HydrophobicContact CG2-CG2 4.16Å; Y628-I728 HydrophobicContact CD2-CG2 3.96Å; Y628-I728 HydrophobicContact CE2-CG2 3.93Å; L724-I728 HydrophobicContact CD1-CD1 4.46Å; L724-I728 HydrophobicContact CG-CD1 4.24Å; L724-I728 WeakPolarHBondContact O-CD1 3.49Å; L724-I728 WeakPolarHBondContact O-CG1 3.48Å; L724-I728 PolarHBondContact O-N 3.06Å; S725-I728 PolarHBondContact O-N 2.86Å; I728-F731 PolarHBondContact O-N 2.81Å; I728-A732 WeakPolarHBondContact O-CB 3.47Å; I728-A732 PolarHBondContact O-N 2.58Å; I728-F824 HydrophobicContact CG1-CE1 4.17Å; I728-F824 HydrophobicContact CG1-CE2 4.04Å; I728-F824 HydrophobicContact CG1-CZ 3.78Å
729Q94.7Very high91.4Very high22 Ų2228.3 Ų28.310%0.10315%0.147CC..Hα-helixtrans-62.8-48.9173.7-179.766.740.200112.2V627 T669 T671 S725 L726 F731 A732 E733V627-Q729 HydrophobicContact CG1-CB 4.36Å; V627-Q729 HydrophobicContact CG2-CB 4.28Å; T669-Q729 PolarHBondContact O-NE2 3.35Å; T671-Q729 HydrophobicContact CG2-CG 4.13Å; S725-Q729 PolarHBondContact O-N 2.69Å; L726-Q729 PolarHBondContact O-N 3.19Å; Q729-F731 VanDerWaalsContact C-N 3.32Å; Q729-F731 PolarHBondContact O-N 2.79Å; Q729-A732 WeakPolarHBondContact O-CB 3.39Å; Q729-A732 PolarHBondContact O-N 3.06Å; Q729-A732 VanDerWaalsContact O-N 3.17Å; Q729-E733 PolarHBondContact NE2-OE1 3.17Å; Q729-E733 PolarHBondContact O-N 3.14Å
730V93.6Very high91.5Very high1 Ų130.8 Ų30.81%0.00616%0.163CC..Hα-helixtrans-61.4-42.5176.7168.90000111.2L711 D714 L715 L726 L727 L735 L737L711-V730 HydrophobicContact CD2-CG2 4.48Å; D714-V730 HydrophobicContact CB-CG2 3.92Å; L715-V730 HydrophobicContact CB-CG1 4.04Å; L715-V730 HydrophobicContact CB-CG2 4.47Å; L715-V730 HydrophobicContact CD1-CG1 4.13Å; L715-V730 HydrophobicContact CG-CG1 4.46Å; L726-V730 WeakPolarHBondContact O-CG2 3.26Å; L726-V730 PolarHBondContact O-N 3.24Å; L727-V730 PolarHBondContact O-N 2.85Å; V730-L735 HydrophobicContact CG1-CB 3.82Å; V730-L735 HydrophobicContact CG1-CD2 3.73Å; V730-L735 HydrophobicContact CG1-CG 4.34Å; V730-L735 PolarHBondContact O-N 3.5Å; V730-L737 HydrophobicContact CG1-CD2 4.12Å
731F94.3Very high91.7Very high26 Ų2628 Ų2811%0.11415%0.151CC..Hα-helixtrans-60.4-47.1173.1177-112.3000111.2Y628 R665 L727 I728 Q729 E733 R734 L737 F824 N828Y628-F731 WeakPolarHBondContact OH-CD1 3.3Å; Y628-F731 WeakPolarHBondContact OH-CE1 3.39Å; R665-F731 PolarHBondContact NH1-O 3.44Å; L727-F731 WeakPolarHBondContact O-CB 3.44Å; L727-F731 PolarHBondContact O-N 2.9Å; I728-F731 PolarHBondContact O-N 2.81Å; Q729-F731 VanDerWaalsContact C-N 3.32Å; Q729-F731 PolarHBondContact O-N 2.79Å; F731-E733 VanDerWaalsContact C-N 3.34Å; F731-E733 PolarHBondContact O-N 3.29Å; F731-R734 WeakPolarHBondContact O-CA 3.5Å; F731-R734 PolarHBondContact O-N 2.92Å; F731-L737 HydrophobicContact CB-CD1 4.22Å; F731-L737 HydrophobicContact CB-CD2 4.13Å; F731-L737 HydrophobicContact CB-CG 4.47Å; F731-L737 HydrophobicContact CD2-CD1 3.9Å; F731-L737 HydrophobicContact CD2-CG 4.17Å; F731-L737 HydrophobicContact CG-CD1 4.37Å; F731-F824 HydrophobicContact CB-CE1 3.97Å; F731-F824 HydrophobicContact CB-CZ 4.44Å; F731-F824 HydrophobicContact CD1-CE1 4.16Å; F731-F824 AromaticContact CD1-CZ 3.87Å; F731-F824 HydrophobicContact CD1-CZ 3.87Å; F731-F824 HydrophobicContact CE1-CZ 4.38Å; F731-F824 HydrophobicContact CG-CE1 4.02Å; F731-F824 HydrophobicContact CG-CZ 4.22Å; F731-N828 HydrophobicContact CD2-CB 4.48Å; F731-N828 HydrophobicContact CE2-CB 3.81Å; F731-N828 HydrophobicContact CZ-CB 3.87Å
732A93.5Very high91.7Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-56.6-45.9-178.300000111.6V627 Y628 R665 I668 I728 Q729 R734V627-A732 HydrophobicContact CG1-CB 3.77Å; Y628-A732 HydrophobicContact CD2-CB 4.35Å; Y628-A732 HydrophobicContact CE2-CB 3.75Å; R665-A732 WeakPolarHBondContact CD-O 3.42Å; R665-A732 PolarHBondContact NH1-O 3.42Å; I668-A732 HydrophobicContact CD1-CB 3.92Å; I668-A732 WeakPolarHBondContact CD1-O 3.46Å; I668-A732 HydrophobicContact CG2-CB 4.25Å; I728-A732 WeakPolarHBondContact O-CB 3.47Å; I728-A732 PolarHBondContact O-N 2.58Å; Q729-A732 WeakPolarHBondContact O-CB 3.39Å; Q729-A732 PolarHBondContact O-N 3.06Å; Q729-A732 VanDerWaalsContact O-N 3.17Å; A732-R734 PolarHBondContact O-N 2.91Å
733E92.3Very high91.3Very high8 Ų832.8 Ų32.84%0.03717%0.171CC..THydrogen-bonded Turntrans-71.813.3174.7-73.2-175.4-118.500115I668 K670 T671 T672 R703 L711 Q729 F731 L735I668-E733 HydrophobicContact CD1-CG 4.06Å; K670-E733 HydrophobicContact CB-CG 4.49Å; K670-E733 HydrophobicContact CG-CG 4.39Å; T671-E733 WeakPolarHBondContact CB-OE1 3.47Å; T671-E733 VanDerWaalsContact N-CD 3.29Å; T671-E733 PolarHBondContact N-OE1 3.31Å; T671-E733 PolarHBondContact N-OE2 2.79Å; T671-E733 PolarHBondContact OG1-OE1 3.14Å; T671-E733 PolarHBondContact OG1-OE2 2.72Å; T672-E733 PolarHBondContact N-OE2 2.73Å; T672-E733 VanDerWaalsContact N-OE2 3.14Å; T672-E733 PolarHBondContact OG1-OE2 3.04Å; R703-E733 PolarHBondContact NH1-O 3.46Å; R703-E733 IonicContact NH2-OE2 3.84Å; L711-E733 HydrophobicContact CD1-CB 3.64Å; L711-E733 HydrophobicContact CD2-CB 4.46Å; Q729-E733 PolarHBondContact NE2-OE1 3.17Å; Q729-E733 PolarHBondContact O-N 3.14Å; F731-E733 VanDerWaalsContact C-N 3.34Å; F731-E733 PolarHBondContact O-N 3.29Å; E733-L735 PolarHBondContact O-N 2.59Å
734R89.9Confident90.7Very high133 Ų13333.1 Ų33.150%0.50217%0.17SC..THydrogen-bonded Turntrans65.430.3171.1-50.8-177.7-174.6-105.9-2.4115.2V663 D664 F731 A732V663-R734 PolarHBondContact O-NH2 3.31Å; D664-R734 VanDerWaalsContact C-NH2 3.34Å; D664-R734 PolarHBondContact O-NH2 3Å; F731-R734 WeakPolarHBondContact O-CA 3.5Å; F731-R734 PolarHBondContact O-N 2.92Å; A732-R734 PolarHBondContact O-N 2.91Å
735L90.4Very high90.3Very high13 Ų1332.4 Ų32.47%0.06817%0.166CC..  trans-76.7136.3164-171.770.8000110E708 L711 R712 L715 V730 E733 L737E708-L735 HydrophobicContact CG-CD1 3.97Å; L711-L735 HydrophobicContact CB-CB 4.34Å; L711-L735 HydrophobicContact CB-CD2 3.83Å; L711-L735 HydrophobicContact CB-CG 4.49Å; L711-L735 HydrophobicContact CD1-CB 4.14Å; R712-L735 HydrophobicContact CG-CD2 4.18Å; L715-L735 HydrophobicContact CB-CD2 4.42Å; L715-L735 HydrophobicContact CD2-CD2 3.93Å; V730-L735 HydrophobicContact CG1-CB 3.82Å; V730-L735 HydrophobicContact CG1-CD2 3.73Å; V730-L735 HydrophobicContact CG1-CG 4.34Å; V730-L735 PolarHBondContact O-N 3.5Å; E733-L735 PolarHBondContact O-N 2.59Å; L735-L737 PolarHBondContact O-N 2.8Å
736D90.1Very high89.7Confident57 Ų5732 Ų3231%0.30516%0.161SC..  trans-63.6113.5167.3167.721.4000109.7M738 T739 R836D736-M738 PolarHBondContact O-N 3.08Å; D736-M738 VanDerWaalsContact O-N 3.11Å; D736-M738 WeakPolarHBondContact OD1-CB 3.41Å; D736-M738 PolarHBondContact OD1-N 3.2Å; D736-T739 WeakPolarHBondContact CB-OG1 3.17Å; D736-T739 VanDerWaalsContact O-CB 3.24Å; D736-T739 WeakPolarHBondContact O-CB 3.29Å; D736-T739 PolarHBondContact O-N 2.86Å; D736-T739 PolarHBondContact O-OG1 2.79Å; D736-R836 IonicContact OD2-CZ 2.83Å; D736-R836 IonicContact OD2-NH1 3.44Å; D736-R836 PolarHBondContact OD2-NH1 3.43Å; D736-R836 IonicContact OD2-NH2 2.68Å; D736-R836 PolarHBondContact OD2-NH2 3.22Å
737L93.1Very high88.6Confident4 Ų436 Ų362%0.02118%0.183CC..THydrogen-bonded Turntrans-63-17-179.3-60.1-178.1000113.2L715 L727 V730 F731 L735 A759 F824 I825L715-L737 HydrophobicContact CD1-CD2 3.9Å; L727-L737 HydrophobicContact CD1-CD1 4.38Å; L727-L737 HydrophobicContact CD1-CD2 3.87Å; V730-L737 HydrophobicContact CG1-CD2 4.12Å; F731-L737 HydrophobicContact CB-CD1 4.22Å; F731-L737 HydrophobicContact CB-CD2 4.13Å; F731-L737 HydrophobicContact CB-CG 4.47Å; F731-L737 HydrophobicContact CD2-CD1 3.9Å; F731-L737 HydrophobicContact CD2-CG 4.17Å; F731-L737 HydrophobicContact CG-CD1 4.37Å; L735-L737 PolarHBondContact O-N 2.8Å; L737-A759 VanDerWaalsContact O-CB 3.27Å; L737-A759 WeakPolarHBondContact O-CB 3.32Å; L737-F824 HydrophobicContact CD1-CD1 4.16Å; L737-F824 HydrophobicContact CD1-CE1 4.14Å; L737-I825 HydrophobicContact CB-CG1 4.42Å; L737-I825 HydrophobicContact CB-CG2 4.19Å; L737-I825 HydrophobicContact CD1-CG1 4.25Å
738M91.2Very high87.4Confident1 Ų140.4 Ų40.41%0.00521%0.206CC..THydrogen-bonded Turntrans-93.77.3174.8-70.2-64.2-7400113.5D736 T758 L760 I825 S833 R836D736-M738 PolarHBondContact O-N 3.08Å; D736-M738 VanDerWaalsContact O-N 3.11Å; D736-M738 WeakPolarHBondContact OD1-CB 3.41Å; D736-M738 PolarHBondContact OD1-N 3.2Å; M738-T758 WeakPolarHBondContact O-CG2 3.34Å; M738-L760 HydrophobicContact CE-CB 4.21Å; M738-L760 HydrophobicContact CE-CD2 3.91Å; M738-L760 HydrophobicContact SD-CB 3.58Å; M738-L760 VanDerWaalsContact SD-CB 3.58Å; M738-L760 HydrophobicContact SD-CD2 3.9Å; M738-L760 HydrophobicContact SD-CG 4.39Å; M738-I825 HydrophobicContact CG-CG2 4.41Å; M738-I825 HydrophobicContact SD-CG2 3.86Å; M738-S833 WeakPolarHBondContact CE-O 3.38Å; M738-R836 WeakPolarHBondContact O-CD 3.05Å; M738-R836 PolarHBondContact O-NH1 3.45Å
739T90.5Very high85.9Confident23 Ų2347.7 Ų47.714%0.14125%0.245CC..PPolyproline II helixtrans-55.9130.9173.2-58.20000110.3R712 D736R712-T739 HydrophobicContact CG-CG2 4.21Å; D736-T739 WeakPolarHBondContact CB-OG1 3.17Å; D736-T739 VanDerWaalsContact O-CB 3.24Å; D736-T739 WeakPolarHBondContact O-CB 3.29Å; D736-T739 PolarHBondContact O-N 2.86Å; D736-T739 PolarHBondContact O-OG1 2.79Å
740P91.3Very high84.4Confident53 Ų5349.2 Ų49.234%0.34426%0.258SS..BIsolated β-bridgetrans-73.3139.317530-34000111.1T757 T758P740-T757 WeakPolarHBondContact CA-O 3.42Å; P740-T758 HydrophobicContact CB-CG2 4.4Å
741F90.6Very high83Confident5 Ų550.8 Ų50.82%0.02226%0.264CS..PPolyproline II helixtrans-72.6145.6173.9-56.2-66.3000111.1R712 L715 L716 D745 F753 T757 A759 I762R712-F741 WeakPolarHBondContact O-CE1 3.22Å; L715-F741 HydrophobicContact CB-CE1 4.09Å; L715-F741 HydrophobicContact CD2-CE1 4.13Å; L715-F741 HydrophobicContact CD2-CZ 4.3Å; L715-F741 HydrophobicContact CG-CE1 4Å; L715-F741 HydrophobicContact CG-CZ 4.01Å; L716-F741 HydrophobicContact CB-CD1 4.08Å; L716-F741 HydrophobicContact CB-CE1 3.69Å; L716-F741 HydrophobicContact CB-CZ 4.07Å; L716-F741 HydrophobicContact CD1-CD1 4.47Å; L716-F741 HydrophobicContact CD1-CD2 4.15Å; L716-F741 HydrophobicContact CD1-CE1 4.35Å; L716-F741 HydrophobicContact CD1-CE2 4.02Å; L716-F741 HydrophobicContact CD1-CG 4.38Å; L716-F741 HydrophobicContact CD1-CZ 4.12Å; F741-D745 WeakPolarHBondContact CA-OD2 3.33Å; F741-F753 HydrophobicContact CB-CD2 4.04Å; F741-F753 HydrophobicContact CB-CE1 4.4Å; F741-F753 HydrophobicContact CB-CE2 3.39Å; F741-F753 HydrophobicContact CB-CZ 3.6Å; F741-F753 HydrophobicContact CG-CE2 4.49Å; F741-F753 HydrophobicContact CG-CZ 4.46Å; F741-T757 VanDerWaalsContact CD2-O 3.3Å; F741-T757 WeakPolarHBondContact CD2-O 3.46Å; F741-T757 PolarHBondContact N-O 3.29Å; F741-A759 HydrophobicContact CE2-CB 4.37Å; F741-A759 VanDerWaalsContact CE2-N 3.35Å; F741-A759 HydrophobicContact CZ-CB 4Å; F741-I762 HydrophobicContact CD2-CD1 3.78Å; F741-I762 HydrophobicContact CE2-CD1 3.51Å; F741-I762 HydrophobicContact CE2-CG1 4.37Å
742K85.8Confident81.7Confident93 Ų9354.4 Ų54.440%0.40429%0.293SS..PPolyproline II helixtrans-101.7155.6170.7-57.2177.3-155.5155.40108.6E708 R712 E744 D745 F753E708-K742 IonicContact OE1-NZ 3.66Å; R712-K742 VanDerWaalsContact CZ-NZ 3.35Å; R712-K742 VanDerWaalsContact NH1-CD 3.29Å; K742-E744 HydrophobicContact CB-CG 3.62Å; K742-E744 HydrophobicContact CD-CG 4.42Å; K742-E744 IonicContact NZ-OE1 3.21Å; K742-E744 PolarHBondContact O-N 2.96Å; K742-E744 VanDerWaalsContact O-N 3.08Å; K742-D745 PolarHBondContact N-OD2 3.45Å; K742-D745 VanDerWaalsContact O-CB 3.3Å; K742-D745 WeakPolarHBondContact O-CB 3.4Å; K742-D745 PolarHBondContact O-N 3.44Å; K742-F753 WeakPolarHBondContact O-CZ 3.46Å
743P78Confident80.9Confident103 Ų10355.8 Ų55.867%0.66930%0.299SS*.G310 helixtrans-54.5-32.1178.7-27.335.7000113.5D745 N746P743-D745 PolarHBondContact O-N 3.29Å; P743-D745 VanDerWaalsContact O-N 3.14Å; P743-N746 PolarHBondContact O-N 3.37Å
744E79.3Confident80.3Confident73 Ų7357.6 Ų57.634%0.34131%0.309SS..G310 helixtrans-64.5-8.1175.662.4150.8-162.300115.9R709 R712 K742R709-E744 VanDerWaalsContact CD-CD 3.46Å; R709-E744 WeakPolarHBondContact CD-OE2 3.47Å; R709-E744 VanDerWaalsContact CZ-O 3.25Å; R709-E744 IonicContact CZ-OE2 3.07Å; R709-E744 PolarHBondContact NE-O 3.26Å; R709-E744 VanDerWaalsContact NE-O 3.07Å; R709-E744 IonicContact NE-OE1 2.76Å; R709-E744 IonicContact NE-OE2 2.67Å; R709-E744 PolarHBondContact NE-OE2 2.87Å; R709-E744 IonicContact NH1-OE2 3.3Å; R709-E744 PolarHBondContact NH1-OE2 3.45Å; R709-E744 PolarHBondContact NH2-O 3.02Å; R712-E744 IonicContact CZ-OE1 2.73Å; R712-E744 IonicContact NH1-OE1 2.77Å; R712-E744 PolarHBondContact NH1-OE1 3.14Å; R712-E744 VanDerWaalsContact NH1-OE1 3.09Å; R712-E744 IonicContact NH2-OE1 3.76Å; R712-E744 PolarHBondContact NH2-OE1 2.75Å; K742-E744 HydrophobicContact CB-CG 3.62Å; K742-E744 HydrophobicContact CD-CG 4.42Å; K742-E744 IonicContact NZ-OE1 3.21Å; K742-E744 PolarHBondContact O-N 2.96Å; K742-E744 VanDerWaalsContact O-N 3.08Å
745D82.1Confident80Confident2 Ų254.1 Ų54.11%0.01130%0.304CS..G310 helixtrans-87.9-9-179-62.6-25.3000113.1R712 R713 L716 F741 K742 P743R712-D745 IonicContact CZ-OD1 3.31Å; R712-D745 IonicContact CZ-OD2 3.62Å; R712-D745 IonicContact NH1-OD1 3.68Å; R712-D745 PolarHBondContact NH1-OD1 2.89Å; R712-D745 IonicContact NH1-OD2 2.73Å; R712-D745 PolarHBondContact NH1-OD2 3.3Å; R713-D745 HydrophobicContact CG-CB 4.23Å; R713-D745 WeakPolarHBondContact CG-O 3.34Å; L716-D745 WeakPolarHBondContact CD2-O 3.46Å; F741-D745 WeakPolarHBondContact CA-OD2 3.33Å; K742-D745 PolarHBondContact N-OD2 3.45Å; K742-D745 VanDerWaalsContact O-CB 3.3Å; K742-D745 WeakPolarHBondContact O-CB 3.4Å; K742-D745 PolarHBondContact O-N 3.44Å; P743-D745 PolarHBondContact O-N 3.29Å; P743-D745 VanDerWaalsContact O-N 3.14Å
746N79.8Confident79.7Confident29 Ų2954.8 Ų54.816%0.15531%0.313CS..  trans-102121.5179.3-158.826.1000110.6L716 K720 P743 D748 Y751 F753L716-N746 HydrophobicContact CD2-CB 4.24Å; K720-N746 PolarHBondContact NZ-OD1 3.48Å; P743-N746 PolarHBondContact O-N 3.37Å; N746-D748 VanDerWaalsContact CG-O 3.28Å; N746-D748 PolarHBondContact ND2-O 3.3Å; N746-D748 PolarHBondContact OD1-O 3.48Å; N746-Y751 PolarHBondContact ND2-O 3.12Å; N746-F753 HydrophobicContact CB-CE1 3.95Å; N746-F753 HydrophobicContact CB-CZ 4.36Å
747D71.4Confident79.8Confident110 Ų11052.3 Ų52.359%0.58830%0.3SS*.SBendtrans-83.5-16.4173-69.7-55.2000113.3R713R713-D747 IonicContact CZ-OD1 2.6Å; R713-D747 IonicContact CZ-OD2 3.12Å; R713-D747 VanDerWaalsContact NH1-CG 3.27Å; R713-D747 IonicContact NH1-OD1 2.82Å; R713-D747 PolarHBondContact NH1-OD1 3.14Å; R713-D747 IonicContact NH1-OD2 3.2Å; R713-D747 PolarHBondContact NH1-OD2 3.37Å; R713-D747 IonicContact NH2-OD1 2.83Å; R713-D747 PolarHBondContact NH2-OD1 3.29Å; R713-D747 IonicContact NH2-OD2 2.72Å; R713-D747 PolarHBondContact NH2-OD2 3.13Å
748D68.3Low79.8Confident93 Ų9352.1 Ų52.150%0.49730%0.299SS..  trans-126.8101.5-169.7173.522.8000109.3N746 S750 Y751N746-D748 VanDerWaalsContact CG-O 3.28Å; N746-D748 PolarHBondContact ND2-O 3.3Å; N746-D748 PolarHBondContact OD1-O 3.48Å; D748-S750 PolarHBondContact O-N 3.25Å; D748-S750 VanDerWaalsContact OD1-CB 3.31Å; D748-S750 WeakPolarHBondContact OD1-CB 3.42Å; D748-S750 PolarHBondContact OD1-N 3.03Å; D748-S750 PolarHBondContact OD1-OG 3.38Å; D748-S750 WeakPolarHBondContact OD2-CB 3.46Å; D748-S750 PolarHBondContact OD2-OG 3.3Å; D748-Y751 PolarHBondContact O-N 3.47Å
749D63.3Low79.8Confident153 Ų15352.1 Ų52.182%0.81830%0.299SS*.THydrogen-bonded Turntrans-57.4-7.8-176.6-71.8-45.1000114.1Y751D749-Y751 PolarHBondContact O-N 3.02Å; D749-Y751 VanDerWaalsContact O-N 3.09Å
750S64.4Low80Confident54 Ų5451 Ų5138%0.37829%0.293SS..THydrogen-bonded Turntrans-53-23.517273.70000115.3D748D748-S750 PolarHBondContact O-N 3.25Å; D748-S750 VanDerWaalsContact OD1-CB 3.31Å; D748-S750 WeakPolarHBondContact OD1-CB 3.42Å; D748-S750 PolarHBondContact OD1-N 3.03Å; D748-S750 PolarHBondContact OD1-OG 3.38Å; D748-S750 WeakPolarHBondContact OD2-CB 3.46Å; D748-S750 PolarHBondContact OD2-OG 3.3Å
751Y64.3Low80Confident33 Ų3348.5 Ų48.513%0.12928%0.276CS..  trans-132.978.9-170.7-170.5-98.9000113.4N746 D748 D749 F753 I762 E765N746-Y751 PolarHBondContact ND2-O 3.12Å; D748-Y751 PolarHBondContact O-N 3.47Å; D749-Y751 PolarHBondContact O-N 3.02Å; D749-Y751 VanDerWaalsContact O-N 3.09Å; Y751-F753 HydrophobicContact CD1-CD1 4.04Å; Y751-F753 HydrophobicContact CE1-CB 4.2Å; Y751-F753 HydrophobicContact CE1-CD1 4.17Å; Y751-F753 PolarHBondContact O-N 3.08Å; Y751-I762 HydrophobicContact CE1-CD1 4.05Å; Y751-I762 HydrophobicContact CE1-CG1 4.5Å; Y751-I762 HydrophobicContact CE1-CG2 4.33Å; Y751-E765 VanDerWaalsContact OH-CD 3.32Å; Y751-E765 PolarHBondContact OH-OE1 3.48Å; Y751-E765 PolarHBondContact OH-OE2 3.1Å
752S66.5Low80Confident103 Ų10348.3 Ų48.372%0.7228%0.275SS*.  trans-69.4103.6171.259.80000111.8
753F77.1Confident80.2Confident28 Ų2843.9 Ų43.912%0.12326%0.256CS..PPolyproline II helixtrans-88.7154.616651.4-98.3000111.4L716 F741 K742 N746 Y751 T757L716-F753 HydrophobicContact CD1-CD1 4.23Å; L716-F753 HydrophobicContact CD1-CE1 4.06Å; L716-F753 HydrophobicContact CD2-CE1 3.69Å; L716-F753 HydrophobicContact CD2-CZ 4.36Å; F741-F753 HydrophobicContact CB-CD2 4.04Å; F741-F753 HydrophobicContact CB-CE1 4.4Å; F741-F753 HydrophobicContact CB-CE2 3.39Å; F741-F753 HydrophobicContact CB-CZ 3.6Å; F741-F753 HydrophobicContact CG-CE2 4.49Å; F741-F753 HydrophobicContact CG-CZ 4.46Å; K742-F753 WeakPolarHBondContact O-CZ 3.46Å; N746-F753 HydrophobicContact CB-CE1 3.95Å; N746-F753 HydrophobicContact CB-CZ 4.36Å; Y751-F753 HydrophobicContact CD1-CD1 4.04Å; Y751-F753 HydrophobicContact CE1-CB 4.2Å; Y751-F753 HydrophobicContact CE1-CD1 4.17Å; Y751-F753 PolarHBondContact O-N 3.08Å; F753-T757 HydrophobicContact CB-CG2 4.36Å
754L80Confident80.8Confident47 Ų4739 Ų3925%0.24622%0.224CC..PPolyproline II helixtrans-72.8143.1177.8-64.4165000110.9G756 T757 F800 N838 L840L754-G756 PolarHBondContact O-N 3.23Å; L754-T757 PolarHBondContact N-OG1 3.12Å; L754-T757 WeakPolarHBondContact O-CB 3.47Å; L754-T757 PolarHBondContact O-N 3.41Å; L754-T757 PolarHBondContact O-OG1 2.94Å; L754-F800 HydrophobicContact CD1-CE1 4.5Å; L754-F800 HydrophobicContact CD2-CE1 4.35Å; L754-F800 HydrophobicContact CD2-CZ 3.92Å; L754-N838 HydrophobicContact CB-CB 4.45Å; L754-L840 HydrophobicContact CD1-CD1 3.59Å; L754-L840 HydrophobicContact CD1-CG 3.91Å
755P82Confident81.2Confident60 Ų6036.5 Ų36.539%0.3921%0.213SC..THydrogen-bonded Turntrans-48.7140.3167.8-29.937.1000112.6T757 Q839P755-T757 PolarHBondContact O-N 3.35Å; P755-Q839 HydrophobicContact CB-CB 4.42Å; P755-Q839 VanDerWaalsContact CD-OE1 3.27Å; P755-Q839 VanDerWaalsContact CG-OE1 3.25Å; P755-Q839 WeakPolarHBondContact O-CB 3.16Å; P755-Q839 PolarHBondContact O-N 2.96Å
756G85.4Confident81.3Confident26 Ų2637.3 Ų37.327%0.26822%0.218SC..THydrogen-bonded Turntrans79.5-6.6-174.900000115.4L754 T758L754-G756 PolarHBondContact O-N 3.23Å; G756-T758 PolarHBondContact O-N 2.94Å
757T90.6Very high81.2Confident6 Ų637.2 Ų37.24%0.03722%0.218CC..  trans-62.1130.2173.4-580000110.2P740 F741 F753 L754 P755 H761 I762P740-T757 WeakPolarHBondContact CA-O 3.42Å; F741-T757 VanDerWaalsContact CD2-O 3.3Å; F741-T757 WeakPolarHBondContact CD2-O 3.46Å; F741-T757 PolarHBondContact N-O 3.29Å; F753-T757 HydrophobicContact CB-CG2 4.36Å; L754-T757 PolarHBondContact N-OG1 3.12Å; L754-T757 WeakPolarHBondContact O-CB 3.47Å; L754-T757 PolarHBondContact O-N 3.41Å; L754-T757 PolarHBondContact O-OG1 2.94Å; P755-T757 PolarHBondContact O-N 3.35Å; T757-H761 HydrophobicContact CG2-CB 3.73Å; T757-I762 HydrophobicContact CG2-CD1 4.22Å; T757-I762 HydrophobicContact CG2-CG1 3.73Å
758T93.2Very high81.2Confident0 Ų033.3 Ų33.30%020%0.197CC..BIsolated β-bridgetrans-105.8168.2178.377.10000111.5M738 P740 G756 L760 H761 I762 R836M738-T758 WeakPolarHBondContact O-CG2 3.34Å; P740-T758 HydrophobicContact CB-CG2 4.4Å; G756-T758 PolarHBondContact O-N 2.94Å; T758-L760 PolarHBondContact O-N 3.22Å; T758-H761 PolarHBondContact N-ND1 3.48Å; T758-H761 WeakPolarHBondContact O-CB 3.46Å; T758-H761 PolarHBondContact O-N 3.27Å; T758-H761 PolarHBondContact OG1-ND1 3.23Å; T758-I762 PolarHBondContact O-N 3.23Å; T758-R836 HydrophobicContact CG2-CB 4.33Å
759A92.9Very high81Confident0 Ų031.4 Ų31.40%018%0.184CC..Hα-helixtrans-49.3-42.6176.400000113.3L715 V719 L737 F741 H761 I762 A763 I825L715-A759 HydrophobicContact CD1-CB 3.89Å; L715-A759 HydrophobicContact CD2-CB 3.99Å; L715-A759 HydrophobicContact CG-CB 3.88Å; V719-A759 HydrophobicContact CG2-CB 3.99Å; L737-A759 VanDerWaalsContact O-CB 3.27Å; L737-A759 WeakPolarHBondContact O-CB 3.32Å; F741-A759 HydrophobicContact CE2-CB 4.37Å; F741-A759 VanDerWaalsContact CE2-N 3.35Å; F741-A759 HydrophobicContact CZ-CB 4Å; A759-H761 VanDerWaalsContact C-N 3.33Å; A759-H761 PolarHBondContact O-N 3.17Å; A759-I762 PolarHBondContact O-N 3.24Å; A759-A763 WeakPolarHBondContact O-CB 3.21Å; A759-A763 PolarHBondContact O-N 3.38Å; A759-I825 HydrophobicContact CB-CD1 3.96Å
760L93.2Very high80.5Confident1 Ų130.7 Ų30.71%0.00517%0.174CC..Hα-helixtrans-62.2-36.6180-174.162.6000113M738 T758 A763 V764 V822 I825 L826 A844M738-L760 HydrophobicContact CE-CB 4.21Å; M738-L760 HydrophobicContact CE-CD2 3.91Å; M738-L760 HydrophobicContact SD-CB 3.58Å; M738-L760 VanDerWaalsContact SD-CB 3.58Å; M738-L760 HydrophobicContact SD-CD2 3.9Å; M738-L760 HydrophobicContact SD-CG 4.39Å; T758-L760 PolarHBondContact O-N 3.22Å; L760-A763 PolarHBondContact O-N 3.3Å; L760-V764 HydrophobicContact CD1-CG2 4.45Å; L760-V764 WeakPolarHBondContact O-CB 3.4Å; L760-V764 WeakPolarHBondContact O-CG2 3.39Å; L760-V764 PolarHBondContact O-N 3.16Å; L760-V822 HydrophobicContact CD1-CB 4.47Å; L760-V822 HydrophobicContact CD1-CG1 3.96Å; L760-I825 HydrophobicContact CB-CG2 4.04Å; L760-I825 HydrophobicContact CD1-CB 4.32Å; L760-I825 HydrophobicContact CD1-CG2 4.18Å; L760-L826 HydrophobicContact CD1-CD2 4.25Å; L760-L826 HydrophobicContact CD1-CG 4.04Å; L760-L826 HydrophobicContact CD2-CD2 3.78Å; L760-L826 HydrophobicContact CD2-CG 4.47Å; L760-A844 HydrophobicContact CB-CB 4.49Å; L760-A844 HydrophobicContact CD2-CB 3.55Å; L760-A844 HydrophobicContact CG-CB 3.71Å
761H91.9Very high79.9Confident0 Ų032.9 Ų32.90%018%0.181CC..Hα-helixtrans-65.3-47.5179.2-65.684.8000111T757 T758 A759 A763 V764 E765 R836 D842 T843 A844 H847T757-H761 HydrophobicContact CG2-CB 3.73Å; T758-H761 PolarHBondContact N-ND1 3.48Å; T758-H761 WeakPolarHBondContact O-CB 3.46Å; T758-H761 PolarHBondContact O-N 3.27Å; T758-H761 PolarHBondContact OG1-ND1 3.23Å; A759-H761 VanDerWaalsContact C-N 3.33Å; A759-H761 PolarHBondContact O-N 3.17Å; H761-A763 VanDerWaalsContact C-N 3.33Å; H761-A763 PolarHBondContact O-N 3.41Å; H761-V764 PolarHBondContact O-N 3.16Å; H761-E765 PolarHBondContact O-N 3.25Å; H761-R836 PolarHBondContact CE1-O 3.07Å; H761-D842 PolarHBondContact NE2-O 3.19Å; H761-T843 WeakPolarHBondContact NE2-CA 3.47Å; H761-A844 PolarHBondContact CD2-N 3.31Å; H761-A844 PolarHBondContact NE2-N 3.36Å; H761-A844 VanDerWaalsContact NE2-N 3.12Å; H761-H847 AromaticContact CD2-CD2 3.61Å; H761-H847 AromaticContact CD2-NE2 3.73Å
762I90.2Very high79.4Confident0 Ų034.8 Ų34.80%019%0.193CC..Hα-helixtrans-66.6-36.5178-55179.3000110.7L716 V719 F741 Y751 T757 T758 A759 V764 E765 T766L716-I762 HydrophobicContact CD1-CD1 3.49Å; L716-I762 VanDerWaalsContact CD1-CD1 3.49Å; V719-I762 HydrophobicContact CG1-CB 3.81Å; V719-I762 HydrophobicContact CG1-CG2 3.75Å; F741-I762 HydrophobicContact CD2-CD1 3.78Å; F741-I762 HydrophobicContact CE2-CD1 3.51Å; F741-I762 HydrophobicContact CE2-CG1 4.37Å; Y751-I762 HydrophobicContact CE1-CD1 4.05Å; Y751-I762 HydrophobicContact CE1-CG1 4.5Å; Y751-I762 HydrophobicContact CE1-CG2 4.33Å; T757-I762 HydrophobicContact CG2-CD1 4.22Å; T757-I762 HydrophobicContact CG2-CG1 3.73Å; T758-I762 PolarHBondContact O-N 3.23Å; A759-I762 PolarHBondContact O-N 3.24Å; I762-V764 VanDerWaalsContact C-N 3.35Å; I762-V764 PolarHBondContact O-N 3.02Å; I762-E765 PolarHBondContact O-N 2.86Å; I762-T766 HydrophobicContact CG2-CG2 4.19Å; I762-T766 WeakPolarHBondContact O-CB 3.5Å; I762-T766 VanDerWaalsContact O-CG2 3.32Å; I762-T766 WeakPolarHBondContact O-CG2 3.4Å; I762-T766 PolarHBondContact O-N 3.3Å; I762-T766 PolarHBondContact O-OG1 3.25Å
763A90.8Very high78.3Confident0 Ų034.7 Ų34.70%018%0.18CC..Hα-helixtrans-62.1-44.7176.100000110.9V719 A759 L760 H761 T766 T767 L821 V822 I825V719-A763 VanDerWaalsContact CG1-CA 3.47Å; V719-A763 HydrophobicContact CG1-CB 3.71Å; A759-A763 WeakPolarHBondContact O-CB 3.21Å; A759-A763 PolarHBondContact O-N 3.38Å; L760-A763 PolarHBondContact O-N 3.3Å; H761-A763 VanDerWaalsContact C-N 3.33Å; H761-A763 PolarHBondContact O-N 3.41Å; A763-T766 PolarHBondContact O-N 3.17Å; A763-T766 PolarHBondContact O-OG1 3.21Å; A763-T766 VanDerWaalsContact O-OG1 3.07Å; A763-T767 WeakPolarHBondContact O-CG2 3.34Å; A763-T767 PolarHBondContact O-N 3.4Å; A763-L821 HydrophobicContact CB-CB 4.49Å; A763-V822 HydrophobicContact CB-CG2 3.69Å; A763-I825 HydrophobicContact CB-CD1 4.41Å
764V90.5Very high76.5Confident0 Ų037.5 Ų37.50%020%0.203CC..Hα-helixtrans-65.5-46176.8172.20000111.8L760 H761 I762 T766 T767 V822 H847 A848 C853 A856 I860L760-V764 HydrophobicContact CD1-CG2 4.45Å; L760-V764 WeakPolarHBondContact O-CB 3.4Å; L760-V764 WeakPolarHBondContact O-CG2 3.39Å; L760-V764 PolarHBondContact O-N 3.16Å; H761-V764 PolarHBondContact O-N 3.16Å; I762-V764 VanDerWaalsContact C-N 3.35Å; I762-V764 PolarHBondContact O-N 3.02Å; V764-T766 VanDerWaalsContact C-N 3.35Å; V764-T766 PolarHBondContact O-N 2.94Å; V764-T767 PolarHBondContact O-N 3.19Å; V764-T767 PolarHBondContact O-OG1 2.87Å; V764-V822 HydrophobicContact CG2-CG1 4.27Å; V764-V822 HydrophobicContact CG2-CG2 4.05Å; V764-H847 HydrophobicContact CB-CB 4.43Å; V764-H847 HydrophobicContact CG1-CB 3.91Å; V764-A848 VanDerWaalsContact CG1-CA 3.45Å; V764-A848 HydrophobicContact CG1-CB 3.7Å; V764-A848 VanDerWaalsContact CG1-N 3.34Å; V764-C853 HydrophobicContact CG1-CB 4.47Å; V764-C853 PolarHBondContact O-SG 2.96Å; V764-C853 VanDerWaalsContact O-SG 3.33Å; V764-A856 HydrophobicContact CG1-CB 4.48Å; V764-A856 HydrophobicContact CG2-CB 4.31Å; V764-I860 HydrophobicContact CG2-CD1 3.87Å
765E86.9Confident74.5Confident22 Ų2241.4 Ų41.410%0.10322%0.218CC..Hα-helixtrans-54.8-50.1174.6178.6-165.3139.600111.3Y751 H761 I762 T767 K769 Y851Y751-E765 VanDerWaalsContact OH-CD 3.32Å; Y751-E765 PolarHBondContact OH-OE1 3.48Å; Y751-E765 PolarHBondContact OH-OE2 3.1Å; H761-E765 PolarHBondContact O-N 3.25Å; I762-E765 PolarHBondContact O-N 2.86Å; E765-T767 PolarHBondContact O-N 3.24Å; E765-K769 HydrophobicContact CG-CD 4.38Å; E765-K769 PolarHBondContact O-N 3.29Å; E765-K769 WeakPolarHBondContact OE1-CD 3.26Å; E765-K769 WeakPolarHBondContact OE1-CE 3.34Å; E765-K769 IonicContact OE1-NZ 2.76Å; E765-K769 PolarHBondContact OE1-NZ 2.84Å; E765-Y851 HydrophobicContact CB-CD2 4.19Å; E765-Y851 HydrophobicContact CB-CE2 3.87Å; E765-Y851 HydrophobicContact CG-CD2 4.35Å; E765-Y851 HydrophobicContact CG-CE1 4.16Å; E765-Y851 HydrophobicContact CG-CE2 3.81Å
766T83.7Confident72.1Confident19 Ų1942 Ų4212%0.11722%0.224CC..Hα-helixtrans-69.2-27.8-172.349.20000113.6I762 A763 V764 N768 K769 N818I762-T766 HydrophobicContact CG2-CG2 4.19Å; I762-T766 WeakPolarHBondContact O-CB 3.5Å; I762-T766 VanDerWaalsContact O-CG2 3.32Å; I762-T766 WeakPolarHBondContact O-CG2 3.4Å; I762-T766 PolarHBondContact O-N 3.3Å; I762-T766 PolarHBondContact O-OG1 3.25Å; A763-T766 PolarHBondContact O-N 3.17Å; A763-T766 PolarHBondContact O-OG1 3.21Å; A763-T766 VanDerWaalsContact O-OG1 3.07Å; V764-T766 VanDerWaalsContact C-N 3.35Å; V764-T766 PolarHBondContact O-N 2.94Å; T766-N768 VanDerWaalsContact C-N 3.33Å; T766-N768 PolarHBondContact O-N 2.59Å; T766-K769 PolarHBondContact O-N 2.8Å; T766-N818 WeakPolarHBondContact CB-ND2 3.36Å; T766-N818 PolarHBondContact OG1-ND2 3.3Å
767T78.3Confident69.4Low27 Ų2748 Ų4817%0.16625%0.25CC..Hα-helixtrans-54.4-42.7177.6530000113.9A763 V764 E765 N818 V822 C853A763-T767 WeakPolarHBondContact O-CG2 3.34Å; A763-T767 PolarHBondContact O-N 3.4Å; V764-T767 PolarHBondContact O-N 3.19Å; V764-T767 PolarHBondContact O-OG1 2.87Å; E765-T767 PolarHBondContact O-N 3.24Å; T767-N818 HydrophobicContact CG2-CB 3.8Å; T767-V822 HydrophobicContact CG2-CG2 4.24Å; T767-C853 PolarHBondContact OG1-SG 2.89Å
768N71.1Confident66.4Low27 Ų2757.1 Ų57.114%0.14429%0.285CS..Hα-helixtrans-104.7-0.8-179.4-94.41.6000114.4T766 F770 L771 I772 Y851 G852 C853T766-N768 VanDerWaalsContact C-N 3.33Å; T766-N768 PolarHBondContact O-N 2.59Å; N768-F770 PolarHBondContact O-N 3.13Å; N768-F770 VanDerWaalsContact O-N 3.07Å; N768-L771 WeakPolarHBondContact O-CB 3.15Å; N768-L771 PolarHBondContact O-N 3.29Å; N768-I772 PolarHBondContact O-N 2.93Å; N768-Y851 PolarHBondContact ND2-O 2.86Å; N768-G852 VanDerWaalsContact ND2-C 3.28Å; N768-G852 PolarHBondContact ND2-O 3.07Å; N768-G852 VanDerWaalsContact ND2-O 3.16Å; N768-C853 PolarHBondContact ND2-N 3.34Å
769K64.4Low63.4Low53 Ų5362.6 Ų62.623%0.2332%0.32CS..Hα-helixtrans-57.4-32.6-171.7-161.7164.2-174.21710113.2E765 T766 I772 K773E765-K769 HydrophobicContact CG-CD 4.38Å; E765-K769 PolarHBondContact O-N 3.29Å; E765-K769 WeakPolarHBondContact OE1-CD 3.26Å; E765-K769 WeakPolarHBondContact OE1-CE 3.34Å; E765-K769 IonicContact OE1-NZ 2.76Å; E765-K769 PolarHBondContact OE1-NZ 2.84Å; T766-K769 PolarHBondContact O-N 2.8Å; K769-I772 PolarHBondContact O-N 3.43Å; K769-K773 WeakPolarHBondContact O-CB 3.37Å; K769-K773 PolarHBondContact O-N 3.41Å
770F52.9Low60.3Low138 Ų13872.1 Ų72.161%0.60536%0.364SS*.Hα-helixtrans-69.5-33.2173.9-66.5-80.8000114.2N768 I772 S774 P815N768-F770 PolarHBondContact O-N 3.13Å; N768-F770 VanDerWaalsContact O-N 3.07Å; F770-I772 PolarHBondContact O-N 3.14Å; F770-S774 WeakPolarHBondContact O-CB 3.41Å; F770-S774 PolarHBondContact O-N 3.49Å; F770-S774 PolarHBondContact O-OG 3.01Å; F770-P815 HydrophobicContact CD2-CB 4.46Å
771L51.5Low57.1Low100 Ų10075.1 Ų75.152%0.52440%0.396SS..Hα-helixtrans-69.3-21.1176.7-99.6165.5000112.9N768N768-L771 WeakPolarHBondContact O-CB 3.15Å; N768-L771 PolarHBondContact O-N 3.29Å
772I53.7Low54.3Low73 Ų7382.9 Ų82.937%0.37444%0.437SS..Hα-helixtrans-101.9-47.8179.9-57.3177.2000111.5N768 K769 F770 S774 Y851N768-I772 PolarHBondContact O-N 2.93Å; K769-I772 PolarHBondContact O-N 3.43Å; F770-I772 PolarHBondContact O-N 3.14Å; I772-S774 PolarHBondContact O-N 3.11Å; I772-Y851 HydrophobicContact CD1-CD1 4.19Å
773K44.9Very low51.4Low102 Ų10292 Ų9244%0.44348%0.477SS..Hα-helixtrans-63.9-24.6179.4-82.1-156.2171.7-165.70113.5K769 K775 D804K769-K773 WeakPolarHBondContact O-CB 3.37Å; K769-K773 PolarHBondContact O-N 3.41Å; K773-K775 PolarHBondContact O-N 3.07Å; K773-D804 IonicContact NZ-OD2 2.67Å; K773-D804 PolarHBondContact NZ-OD2 3.45Å
774S37.9Very low48.9Very low87 Ų8797.6 Ų97.661%0.60851%0.511SS*.THydrogen-bonded Turntrans-68.7-2.2-175.251.50000116.5F770 I772F770-S774 WeakPolarHBondContact O-CB 3.41Å; F770-S774 PolarHBondContact O-N 3.49Å; F770-S774 PolarHBondContact O-OG 3.01Å; I772-S774 PolarHBondContact O-N 3.11Å
775K37.5Very low46.1Very low128 Ų128104.4 Ų104.456%0.55755%0.547SS*.THydrogen-bonded Turntrans-135.76.5176.8-70.9-167.2-179.3-1780116.1K773 N777 N904K773-K775 PolarHBondContact O-N 3.07Å; K775-N777 PolarHBondContact O-N 3Å; K775-N904 PolarHBondContact NZ-OD1 3.49Å
776S32.5Very low43.8Very low74 Ų74109.1 Ų109.152%0.51757%0.57SS.*  trans-7717-178.161.70000115.3Y778S776-Y778 PolarHBondContact O-N 3.43Å
777N28.4Very low41.7Very low152 Ų152113.2 Ų113.281%0.81360%0.6SS**  trans-73.361.1165.8-81.1-13.9000111.1K775 P779K775-N777 PolarHBondContact O-N 3Å; N777-P779 WeakPolarHBondContact O-CD 3.41Å
778Y27.6Very low40Very low196 Ų196119.2 Ų119.277%0.76963%0.631SS**PPolyproline II helixtrans-76.8119.3164.1-87.3-87.1000108.7S776S776-Y778 PolarHBondContact O-N 3.43Å
779P31.3Very low38.4Very low115 Ų115122.6 Ų122.675%0.74765%0.649SS**PPolyproline II helixtrans-67.3142.7179.727.7-34000111N777 G781N777-P779 WeakPolarHBondContact O-CD 3.41Å; P779-G781 PolarHBondContact O-N 3.43Å
780H26.4Very low37.2Very low201 Ų201123.8 Ų123.893%0.93166%0.664SS**SBendtrans-50.6120.3166.5-88.315000110.4
781G27.3Very low36.6Very low64 Ų64125.1 Ų125.166%0.6667%0.672SS**  trans16558.7178.300000117.3P779P779-G781 PolarHBondContact O-N 3.43Å
782N32.9Very low36.2Very low163 Ų163127.9 Ų127.987%0.87268%0.682SS**  trans-170.4125.7136.8-95.6-27.9000110.7
783K29.9Very low35.7Very low191 Ų191130.3 Ų130.383%0.8369%0.692SS**  trans-74.1134.3165.7-75-173171.5-167.10109.1
784V36.8Very low35.5Very low118 Ų118129 Ų12972%0.71569%0.687SS**  trans-126.1114.5158.2-178.90000105.7M786V784-M786 HydrophobicContact CG1-CG 4.29Å; V784-M786 PolarHBondContact O-N 3.41Å
785D32.1Very low35.5Very low142 Ų142131.9 Ų131.976%0.75969%0.691SS**  trans-70.3120179-65.5-47.3000109.2
786M39.8Very low35.9Very low121 Ų121130.9 Ų130.960%0.59669%0.69SS**  trans-125.572.4-178.2-75.2-69.4-66.700109.4V784 L789V784-M786 HydrophobicContact CG1-CG 4.29Å; V784-M786 PolarHBondContact O-N 3.41Å; M786-L789 HydrophobicContact CE-CD1 3.97Å
787S38.8Very low36.2Very low105 Ų105131.1 Ų131.173%0.73469%0.689SS**  trans-85.1-1.4-170.652.90000116
788D41.9Very low36.7Very low153 Ų153129.7 Ų129.782%0.81868%0.678SS**SBendtrans-116.626.6-166.6-68.8-33.2000114.6
789L37.5Very low37.1Very low99 Ų99123.7 Ų123.752%0.51866%0.664SS.*SBendtrans-124.5140.1175.5-71.9172.9000111.8M786M786-L789 HydrophobicContact CE-CD1 3.97Å
790S39.2Very low37.5Very low78 Ų78124 Ų12455%0.54565%0.654SS.*  trans-71.9140.6-17051.70000113.5Q792 Q793 Q794S790-Q792 VanDerWaalsContact C-N 3.3Å; S790-Q792 PolarHBondContact O-N 3.4Å; S790-Q792 VanDerWaalsContact O-N 3.12Å; S790-Q793 PolarHBondContact O-N 2.99Å; S790-Q794 PolarHBondContact O-N 2.96Å
791E41Very low38Very low165 Ų165120.9 Ų120.977%0.77164%0.644SS**Hα-helixtrans-51.4-41.8-170-62.9174.4118.700113.8Q793 Q794 Q795E791-Q793 PolarHBondContact O-N 3.34Å; E791-Q794 PolarHBondContact O-N 3.3Å; E791-Q795 WeakPolarHBondContact O-CB 3.47Å; E791-Q795 PolarHBondContact O-N 3.05Å
792Q43.2Very low38.1Very low158 Ų158123.4 Ų123.474%0.73864%0.642SS**Hα-helixtrans-60.6-26.3179.1-75.1-172-25.800113.7S790 I796S790-Q792 VanDerWaalsContact C-N 3.3Å; S790-Q792 PolarHBondContact O-N 3.4Å; S790-Q792 VanDerWaalsContact O-N 3.12Å; Q792-I796 WeakPolarHBondContact O-CD1 3.28Å; Q792-I796 WeakPolarHBondContact O-CG1 3.45Å
793Q43.1Very low38.1Very low125 Ų125123.1 Ų123.158%0.58463%0.633SS**Hα-helixtrans-91.1-29.2-177.7-145161.527.300112.6S790 E791 T797S790-Q793 PolarHBondContact O-N 2.99Å; E791-Q793 PolarHBondContact O-N 3.34Å; Q793-T797 PolarHBondContact O-N 3.07Å; Q793-T797 PolarHBondContact O-OG1 3.43Å
794Q40.9Very low38.1Very low75 Ų75118 Ų11835%0.3562%0.615SS.*Hα-helixtrans-66.2-46.9166.3-76.5174.3-22.700110.8S790 E791 I796 T797 E798S790-Q794 PolarHBondContact O-N 2.96Å; E791-Q794 PolarHBondContact O-N 3.3Å; Q794-I796 VanDerWaalsContact C-N 3.28Å; Q794-I796 PolarHBondContact O-N 3.28Å; Q794-T797 PolarHBondContact O-N 3.39Å; Q794-E798 PolarHBondContact O-N 3.22Å
795Q36.8Very low37.7Very low147 Ų147119 Ų11969%0.68762%0.616SS**Hα-helixtrans-61.3-33-176.1-154.116663.700113.4E791 S799E791-Q795 WeakPolarHBondContact O-CB 3.47Å; E791-Q795 PolarHBondContact O-N 3.05Å; Q795-S799 WeakPolarHBondContact O-CB 3.47Å; Q795-S799 PolarHBondContact O-N 2.96Å; Q795-S799 PolarHBondContact O-OG 3.16Å
796I45.8Very low37.5Very low106 Ų106119.4 Ų119.454%0.54462%0.618SS.*Hα-helixtrans-74.2-35.7173.1-67.1169.1000111.9Q792 Q794 S799 F800Q792-I796 WeakPolarHBondContact O-CD1 3.28Å; Q792-I796 WeakPolarHBondContact O-CG1 3.45Å; Q794-I796 VanDerWaalsContact C-N 3.28Å; Q794-I796 PolarHBondContact O-N 3.28Å; I796-S799 PolarHBondContact O-OG 2.89Å; I796-S799 VanDerWaalsContact O-OG 3.11Å; I796-F800 WeakPolarHBondContact O-CD2 3.45Å
797T38.9Very low37.1Very low79 Ų79120.9 Ų120.949%0.48563%0.629SS.*Hα-helixtrans-76.7-38.1-176.3-54.30000111.6Q793 Q794 L801Q793-T797 PolarHBondContact O-N 3.07Å; Q793-T797 PolarHBondContact O-OG1 3.43Å; Q794-T797 PolarHBondContact O-N 3.39Å; T797-L801 HydrophobicContact CG2-CD1 4.41Å
798E39Very low36.5Very low123 Ų123124 Ų12458%0.57564%0.637SS**Hα-helixtrans-75.3-33.7179.1-66.3-174.8155.200112.7Q794 F800 L801 N802Q794-E798 PolarHBondContact O-N 3.22Å; E798-F800 VanDerWaalsContact C-N 3.29Å; E798-F800 PolarHBondContact O-N 2.73Å; E798-L801 PolarHBondContact O-N 3.15Å; E798-N802 PolarHBondContact O-N 3.27Å
799S35.8Very low36.1Very low70 Ų70127.1 Ų127.149%0.4964%0.639SS.*Hα-helixtrans-67.8-26.7177.359.50000113.7Q795 I796Q795-S799 WeakPolarHBondContact O-CB 3.47Å; Q795-S799 PolarHBondContact O-N 2.96Å; Q795-S799 PolarHBondContact O-OG 3.16Å; I796-S799 PolarHBondContact O-OG 2.89Å; I796-S799 VanDerWaalsContact O-OG 3.11Å
800F41.2Very low35.6Very low120 Ų120131.3 Ų131.353%0.52666%0.656SS.*THydrogen-bonded Turntrans-87.6-7.4-178.2-98.7-87.6000114.7L754 I796 E798 L840L754-F800 HydrophobicContact CD1-CE1 4.5Å; L754-F800 HydrophobicContact CD2-CE1 4.35Å; L754-F800 HydrophobicContact CD2-CZ 3.92Å; I796-F800 WeakPolarHBondContact O-CD2 3.45Å; E798-F800 VanDerWaalsContact C-N 3.29Å; E798-F800 PolarHBondContact O-N 2.73Å; F800-L840 HydrophobicContact CE1-CD1 4.42Å; F800-L840 HydrophobicContact CZ-CD1 4.39Å
801L36.8Very low35.2Very low137 Ų137135.9 Ų135.972%0.71767%0.666SS**THydrogen-bonded Turntrans-127.9-10.3-169.5-69.1174.7000115.8T797 E798T797-L801 HydrophobicContact CG2-CD1 4.41Å; E798-L801 PolarHBondContact O-N 3.15Å
802N30.1Very low34.6Very low116 Ų116137.2 Ų137.262%0.6267%0.672SS**  trans-114.110.9-171.2-76.5-41.3000116.4E798E798-N802 PolarHBondContact O-N 3.27Å
803F31.2Very low34.1Very low158 Ų158136.6 Ų136.669%0.69367%0.667SS**SBendtrans-84150.7171.7-97.4-101.2000112.4
804D30.2Very low33.8Very low84 Ų84135.6 Ų135.645%0.44967%0.674SS.*  trans6260.4-175.3-64.2-10.7000117.1K773K773-D804 IonicContact NZ-OD2 2.67Å; K773-D804 PolarHBondContact NZ-OD2 3.45Å
805N28.2Very low33.8Very low138 Ų138136.2 Ų136.274%0.73868%0.684SS**  trans-119.339.3164.7-125.2-7.2000113
806N28Very low34.4Very low150 Ų150134.1 Ų134.180%0.80267%0.674SS**  trans-164.8108.4164.4-114.9-26.6000111.4
807N31.2Very low35.4Very low153 Ų153131.8 Ų131.882%0.81866%0.663SS**  trans175.5102.3143.6-94-26000109.6Y809N807-Y809 PolarHBondContact O-N 2.94Å
808N27.7Very low37.5Very low169 Ų169128.5 Ų128.590%0.90464%0.643SS**  trans-78.6108.1169-72.3-22.7000109
809Y32.1Very low39.9Very low220 Ų220122.9 Ų122.986%0.86362%0.616SS**  trans-132.8116.4159.4-103.4-82000109.3N807N807-Y809 PolarHBondContact O-N 2.94Å
810E27Very low42.4Very low186 Ų186119.7 Ų119.787%0.86959%0.594SS**  trans-71.1132.2174-64.4168.8122.200109.3
811F30.7Very low44.8Very low175 Ų175114.1 Ų114.177%0.76857%0.57SS**  trans-146.3116.2157.2-144.4-82.5000110.6K813F811-K813 PolarHBondContact O-N 2.93Å
812E28.9Very low47.5Very low192 Ų192107.6 Ų107.690%0.89754%0.536SS*.  trans-7099.1177.1-64.9-178.9111.500110.3
813K31.9Very low50.4Low146 Ų146102.6 Ų102.664%0.63551%0.508SS*.  trans-146.1133.6160.9-108.5158.7-170.4174.30110.3F811F811-K813 PolarHBondContact O-N 2.93Å
814S37.7Very low53.4Low103 Ų10395 Ų9572%0.7248%0.475SS*.  trans-52.3137.6176.2-166.20000109.7H816S814-H816 PolarHBondContact O-N 3.44Å
815P40.4Very low56.5Low88 Ų8891 Ų9157%0.57145%0.454SS*.  trans-54.4113.9-171.421-33.8000110.5F770 N817F770-P815 HydrophobicContact CD2-CB 4.46Å; P815-N817 PolarHBondContact O-N 3.12Å
816H50.5Low59.5Low103 Ų10384.9 Ų84.948%0.47742%0.421SS..  trans-60.8104.9-178.4-72.8-72.2000108.7S814 N818S814-H816 PolarHBondContact O-N 3.44Å; H816-N818 PolarHBondContact O-N 2.97Å; H816-N818 PolarHBondContact O-OD1 2.64Å
817N66.7Low62.5Low58 Ų5878.8 Ų78.831%0.3139%0.388SS..  trans-69.2100.4178.8-177.11.8000107.9P815 L819 P820P815-N817 PolarHBondContact O-N 3.12Å; N817-L819 PolarHBondContact O-N 3.39Å; N817-L819 WeakPolarHBondContact OD1-CB 3.4Å; N817-L819 PolarHBondContact OD1-N 2.8Å; N817-L819 VanDerWaalsContact OD1-N 3.15Å; N817-P820 WeakPolarHBondContact O-CD 3.44Å
818N82.8Confident65.4Low10 Ų1072.6 Ų72.65%0.05336%0.355CS..  trans-76.84.1-177.8-74.6-3.7000113.6G722 T766 T767 H816 P820 L821 V822G722-N818 VanDerWaalsContact CA-OD1 3.27Å; G722-N818 WeakPolarHBondContact CA-OD1 3.33Å; T766-N818 WeakPolarHBondContact CB-ND2 3.36Å; T766-N818 PolarHBondContact OG1-ND2 3.3Å; T767-N818 HydrophobicContact CG2-CB 3.8Å; H816-N818 PolarHBondContact O-N 2.97Å; H816-N818 PolarHBondContact O-OD1 2.64Å; N818-P820 VanDerWaalsContact C-CD 3.44Å; N818-L821 HydrophobicContact CB-CD1 4.15Å; N818-L821 WeakPolarHBondContact O-CB 3.39Å; N818-L821 PolarHBondContact O-N 3.3Å; N818-V822 PolarHBondContact O-N 2.67Å; N818-V822 VanDerWaalsContact O-N 3.14Å
819L88.1Confident68.4Low4 Ų465.3 Ų65.32%0.02132%0.317CS..Hα-helixtrans-58.3-35.8177.6-163.772.5000114.1L614 N817 L821 V822 E823 D855 A856 L859 L969L614-L819 HydrophobicContact CD1-CD2 4.45Å; L614-L819 HydrophobicContact CD2-CB 4.43Å; L614-L819 HydrophobicContact CD2-CD2 3.91Å; L614-L819 HydrophobicContact CD2-CG 3.78Å; N817-L819 PolarHBondContact O-N 3.39Å; N817-L819 WeakPolarHBondContact OD1-CB 3.4Å; N817-L819 PolarHBondContact OD1-N 2.8Å; N817-L819 VanDerWaalsContact OD1-N 3.15Å; L819-L821 VanDerWaalsContact C-N 3.31Å; L819-L821 PolarHBondContact O-N 3.48Å; L819-V822 WeakPolarHBondContact O-CB 3.37Å; L819-V822 PolarHBondContact O-N 3.18Å; L819-E823 PolarHBondContact O-N 3.16Å; L819-D855 HydrophobicContact CD1-CB 3.98Å; L819-D855 HydrophobicContact CD2-CB 3.86Å; L819-A856 HydrophobicContact CD1-CB 4.07Å; L819-L859 HydrophobicContact CD1-CD1 3.69Å; L819-L859 HydrophobicContact CD2-CD1 4.4Å; L819-L859 HydrophobicContact CG-CD1 3.83Å; L819-L969 HydrophobicContact CD2-CD1 4.16Å
820P89.5Confident70.8Confident4 Ų458.4 Ų58.43%0.02630%0.301CS..Hα-helixtrans-65.1-29.4170.9-18.932.9000113.3L614 L615 F618 L724 N817 N818 F824L614-P820 HydrophobicContact CD1-CG 3.99Å; L614-P820 HydrophobicContact CG-CG 4.49Å; L615-P820 HydrophobicContact CD2-CB 4.12Å; L615-P820 WeakPolarHBondContact CD2-O 3.45Å; F618-P820 HydrophobicContact CB-CB 3.96Å; F618-P820 HydrophobicContact CB-CG 3.74Å; F618-P820 HydrophobicContact CD1-CG 4.05Å; F618-P820 HydrophobicContact CD2-CB 4.49Å; F618-P820 HydrophobicContact CD2-CG 3.59Å; F618-P820 HydrophobicContact CE2-CG 4.14Å; F618-P820 HydrophobicContact CG-CB 4.3Å; F618-P820 HydrophobicContact CG-CG 3.53Å; L724-P820 HydrophobicContact CD2-CB 4.18Å; N817-P820 WeakPolarHBondContact O-CD 3.44Å; N818-P820 VanDerWaalsContact C-CD 3.44Å; P820-F824 VanDerWaalsContact O-CB 3.25Å; P820-F824 WeakPolarHBondContact O-CB 3.18Å; P820-F824 PolarHBondContact O-N 2.68Å
821L91.9Very high73.2Confident3 Ų354.1 Ų54.12%0.01629%0.292CS..Hα-helixtrans-68.6-44.7172.7-58.2177000110.4L724 L727 A763 N818 L819 E823 F824 I825L724-L821 HydrophobicContact CB-CD2 4.04Å; L724-L821 HydrophobicContact CD1-CD2 3.83Å; L727-L821 HydrophobicContact CB-CD2 4.18Å; L727-L821 HydrophobicContact CD2-CB 4.16Å; L727-L821 HydrophobicContact CD2-CD2 3.55Å; L727-L821 HydrophobicContact CD2-CG 4.45Å; L727-L821 HydrophobicContact CG-CD2 4.5Å; A763-L821 HydrophobicContact CB-CB 4.49Å; N818-L821 HydrophobicContact CB-CD1 4.15Å; N818-L821 WeakPolarHBondContact O-CB 3.39Å; N818-L821 PolarHBondContact O-N 3.3Å; L819-L821 VanDerWaalsContact C-N 3.31Å; L819-L821 PolarHBondContact O-N 3.48Å; L821-E823 VanDerWaalsContact C-N 3.32Å; L821-E823 PolarHBondContact O-N 3.47Å; L821-F824 PolarHBondContact O-N 3.33Å; L821-I825 WeakPolarHBondContact O-CB 3.16Å; L821-I825 WeakPolarHBondContact O-CD1 3.46Å; L821-I825 VanDerWaalsContact O-CG1 3.22Å; L821-I825 WeakPolarHBondContact O-CG1 3.16Å; L821-I825 PolarHBondContact O-N 3.29Å
822V92.4Very high75.4Confident0 Ų048.4 Ų48.40%028%0.282CS..Hα-helixtrans-55.3-50174.5174.70000109.9L760 A763 V764 T767 N818 L819 I825 L826 A856L760-V822 HydrophobicContact CD1-CB 4.47Å; L760-V822 HydrophobicContact CD1-CG1 3.96Å; A763-V822 HydrophobicContact CB-CG2 3.69Å; V764-V822 HydrophobicContact CG2-CG1 4.27Å; V764-V822 HydrophobicContact CG2-CG2 4.05Å; T767-V822 HydrophobicContact CG2-CG2 4.24Å; N818-V822 PolarHBondContact O-N 2.67Å; N818-V822 VanDerWaalsContact O-N 3.14Å; L819-V822 WeakPolarHBondContact O-CB 3.37Å; L819-V822 PolarHBondContact O-N 3.18Å; V822-I825 PolarHBondContact O-N 3.46Å; V822-L826 HydrophobicContact CG1-CD1 3.83Å; V822-L826 HydrophobicContact CG1-CG 4.47Å; V822-L826 WeakPolarHBondContact O-CB 3.37Å; V822-L826 VanDerWaalsContact O-CG 3.25Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å; V822-L826 PolarHBondContact O-N 2.9Å; V822-A856 HydrophobicContact CG1-CB 4.3Å
823E91.9Very high78Confident10 Ų1039.7 Ų39.75%0.04724%0.242CC..Hα-helixtrans-68.3-39.3-178.6-173.562.1177.900113.4L614 L615 L819 L821 I825 L826 Q827 L859L614-E823 HydrophobicContact CD2-CB 3.73Å; L614-E823 HydrophobicContact CD2-CG 4.07Å; L615-E823 HydrophobicContact CD1-CG 3.93Å; L615-E823 HydrophobicContact CD2-CB 3.95Å; L615-E823 HydrophobicContact CD2-CG 4.08Å; L615-E823 HydrophobicContact CG-CB 4.19Å; L615-E823 HydrophobicContact CG-CG 3.74Å; L819-E823 PolarHBondContact O-N 3.16Å; L821-E823 VanDerWaalsContact C-N 3.32Å; L821-E823 PolarHBondContact O-N 3.47Å; E823-I825 PolarHBondContact O-N 3.26Å; E823-L826 PolarHBondContact O-N 3.16Å; E823-Q827 HydrophobicContact CG-CG 4.31Å; E823-Q827 WeakPolarHBondContact O-CB 3.4Å; E823-Q827 PolarHBondContact O-N 2.73Å; E823-Q827 WeakPolarHBondContact OE1-CG 3.29Å; E823-Q827 PolarHBondContact OE1-NE2 3.18Å; E823-L859 HydrophobicContact CB-CD1 4.03Å; E823-L859 WeakPolarHBondContact OE2-CD2 2.89Å
824F94.2Very high80.6Confident0 Ų033.2 Ų33.20%021%0.214CC..Hα-helixtrans-65.9-40178-171.7-92.7000111.5L615 I619 L724 L727 I728 F731 L737 P820 L821 N828L615-F824 HydrophobicContact CD1-CB 4.3Å; L615-F824 HydrophobicContact CD1-CD2 4.21Å; L615-F824 HydrophobicContact CD2-CB 3.94Å; I619-F824 HydrophobicContact CD1-CD2 3.59Å; I619-F824 HydrophobicContact CD1-CE2 3.96Å; L724-F824 HydrophobicContact CD1-CB 4.41Å; L727-F824 HydrophobicContact CD2-CB 4.18Å; L727-F824 HydrophobicContact CD2-CD1 3.73Å; L727-F824 HydrophobicContact CD2-CG 4.31Å; L727-F824 HydrophobicContact CG-CD1 3.96Å; L727-F824 HydrophobicContact CG-CE1 4.39Å; I728-F824 HydrophobicContact CG1-CE1 4.17Å; I728-F824 HydrophobicContact CG1-CE2 4.04Å; I728-F824 HydrophobicContact CG1-CZ 3.78Å; F731-F824 HydrophobicContact CB-CE1 3.97Å; F731-F824 HydrophobicContact CB-CZ 4.44Å; F731-F824 HydrophobicContact CD1-CE1 4.16Å; F731-F824 AromaticContact CD1-CZ 3.87Å; F731-F824 HydrophobicContact CD1-CZ 3.87Å; F731-F824 HydrophobicContact CE1-CZ 4.38Å; F731-F824 HydrophobicContact CG-CE1 4.02Å; F731-F824 HydrophobicContact CG-CZ 4.22Å; L737-F824 HydrophobicContact CD1-CD1 4.16Å; L737-F824 HydrophobicContact CD1-CE1 4.14Å; P820-F824 VanDerWaalsContact O-CB 3.25Å; P820-F824 WeakPolarHBondContact O-CB 3.18Å; P820-F824 PolarHBondContact O-N 2.68Å; L821-F824 PolarHBondContact O-N 3.33Å; F824-N828 WeakPolarHBondContact CD2-ND2 2.72Å; F824-N828 WeakPolarHBondContact O-CB 3.49Å; F824-N828 PolarHBondContact O-N 3.22Å; F824-N828 PolarHBondContact O-ND2 3.33Å
825I94.1Very high83Confident0 Ų034 Ų340%021%0.205CC..Hα-helixtrans-65.4-46.4173.8-64.2163.7000110.1V719 L727 L737 M738 A759 L760 A763 L821 V822 E823 S829V719-I825 HydrophobicContact CG2-CD1 4.37Å; L727-I825 HydrophobicContact CD1-CD1 4.4Å; L727-I825 HydrophobicContact CD1-CG1 4.17Å; L727-I825 HydrophobicContact CD2-CD1 4.41Å; L727-I825 HydrophobicContact CD2-CG1 4.04Å; L737-I825 HydrophobicContact CB-CG1 4.42Å; L737-I825 HydrophobicContact CB-CG2 4.19Å; L737-I825 HydrophobicContact CD1-CG1 4.25Å; M738-I825 HydrophobicContact CG-CG2 4.41Å; M738-I825 HydrophobicContact SD-CG2 3.86Å; A759-I825 HydrophobicContact CB-CD1 3.96Å; L760-I825 HydrophobicContact CB-CG2 4.04Å; L760-I825 HydrophobicContact CD1-CB 4.32Å; L760-I825 HydrophobicContact CD1-CG2 4.18Å; A763-I825 HydrophobicContact CB-CD1 4.41Å; L821-I825 WeakPolarHBondContact O-CB 3.16Å; L821-I825 WeakPolarHBondContact O-CD1 3.46Å; L821-I825 VanDerWaalsContact O-CG1 3.22Å; L821-I825 WeakPolarHBondContact O-CG1 3.16Å; L821-I825 PolarHBondContact O-N 3.29Å; V822-I825 PolarHBondContact O-N 3.46Å; E823-I825 PolarHBondContact O-N 3.26Å; I825-S829 WeakPolarHBondContact O-CB 3.45Å; I825-S829 PolarHBondContact O-N 2.78Å; I825-S829 VanDerWaalsContact O-N 3.09Å; I825-S829 PolarHBondContact O-OG 3.15Å
826L92.5Very high85.3Confident9 Ų933.8 Ų33.85%0.04719%0.193CC..Hα-helixtrans-63-45.8-179.7-75.5172.3000113L760 V822 E823 L834 L859 I860 A863L760-L826 HydrophobicContact CD1-CD2 4.25Å; L760-L826 HydrophobicContact CD1-CG 4.04Å; L760-L826 HydrophobicContact CD2-CD2 3.78Å; L760-L826 HydrophobicContact CD2-CG 4.47Å; V822-L826 HydrophobicContact CG1-CD1 3.83Å; V822-L826 HydrophobicContact CG1-CG 4.47Å; V822-L826 WeakPolarHBondContact O-CB 3.37Å; V822-L826 VanDerWaalsContact O-CG 3.25Å; V822-L826 WeakPolarHBondContact O-CG 3.29Å; V822-L826 PolarHBondContact O-N 2.9Å; E823-L826 PolarHBondContact O-N 3.16Å; L826-L834 HydrophobicContact CD2-CD1 4.31Å; L826-L834 HydrophobicContact CD2-CD2 3.95Å; L826-L834 HydrophobicContact CD2-CG 4.01Å; L826-L859 HydrophobicContact CD1-CB 3.83Å; L826-I860 HydrophobicContact CD1-CG1 3.87Å; L826-I860 HydrophobicContact CD2-CG1 4.25Å; L826-A863 HydrophobicContact CB-CB 4.17Å; L826-A863 HydrophobicContact CD1-CB 4.36Å; L826-A863 HydrophobicContact CD2-CB 4.05Å; L826-A863 HydrophobicContact CG-CB 4.43Å
827Q90.8Very high87.2Confident21 Ų2130.8 Ų30.810%0.09819%0.186CC..Hα-helixtrans-73.4-30.2-175.7-74.3-147.547.900113.6V576 N577 R599 E823V576-Q827 PolarHBondContact O-NE2 3.43Å; N577-Q827 VanDerWaalsContact CA-OE1 3.32Å; N577-Q827 HydrophobicContact CB-CB 3.84Å; N577-Q827 VanDerWaalsContact CB-OE1 3.32Å; R599-Q827 VanDerWaalsContact CZ-O 3.3Å; R599-Q827 PolarHBondContact NH1-O 3.34Å; R599-Q827 VanDerWaalsContact NH1-O 3.08Å; R599-Q827 PolarHBondContact NH2-O 2.93Å; E823-Q827 HydrophobicContact CG-CG 4.31Å; E823-Q827 WeakPolarHBondContact O-CB 3.4Å; E823-Q827 PolarHBondContact O-N 2.73Å; E823-Q827 WeakPolarHBondContact OE1-CG 3.29Å; E823-Q827 PolarHBondContact OE1-NE2 3.18Å
828N92.5Very high88.3Confident24 Ų2428.4 Ų28.413%0.12817%0.173CC..Hα-helixtrans-105.92.9-174.6-57.8-73.1000114.4N577 F731 F824N577-N828 PolarHBondContact ND2-OD1 3.02Å; N577-N828 PolarHBondContact O-ND2 3.33Å; N577-N828 PolarHBondContact O-OD1 3.37Å; F731-N828 HydrophobicContact CD2-CB 4.48Å; F731-N828 HydrophobicContact CE2-CB 3.81Å; F731-N828 HydrophobicContact CZ-CB 3.87Å; F824-N828 WeakPolarHBondContact CD2-ND2 2.72Å; F824-N828 WeakPolarHBondContact O-CB 3.49Å; F824-N828 PolarHBondContact O-N 3.22Å; F824-N828 PolarHBondContact O-ND2 3.33Å
829S90.5Very high88.6Confident16 Ų1633.7 Ų33.711%0.11220%0.198CC..SBendtrans-96.1156.5170.4-57.90000111.8I825I825-S829 WeakPolarHBondContact O-CB 3.45Å; I825-S829 PolarHBondContact O-N 2.78Å; I825-S829 VanDerWaalsContact O-N 3.09Å; I825-S829 PolarHBondContact O-OG 3.15Å
830S82.7Confident88.6Confident75 Ų7536.3 Ų36.352%0.52421%0.211SC..  trans-66.9133.8174.459.40000111.9G832 S833S830-G832 PolarHBondContact O-N 3.31Å; S830-S833 WeakPolarHBondContact O-CB 3.48Å; S830-S833 PolarHBondContact O-N 3.34Å; S830-S833 PolarHBondContact OG-OG 3.26Å
831S76.9Confident88.6Confident96 Ų9636.4 Ų36.467%0.67121%0.213SC*.G310 helixtrans-58.5-26.8-174.1-51.20000114.2S833S831-S833 VanDerWaalsContact C-N 3.28Å; S831-S833 PolarHBondContact O-N 2.99Å
832G76.8Confident88.6Confident55 Ų5536.3 Ų36.357%0.56721%0.212SC*.G310 helixtrans-64.1-30.1173.100000113.8S830 L834 K835S830-G832 PolarHBondContact O-N 3.31Å; G832-L834 VanDerWaalsContact C-N 3.3Å; G832-L834 PolarHBondContact O-N 3.1Å; G832-K835 PolarHBondContact O-N 3.42Å
833S83.6Confident88.7Confident9 Ų936.5 Ų36.56%0.06321%0.213CC..G310 helixtrans-74.2-15.4-175.8-62.70000114M738 S830 S831 K835 R836M738-S833 WeakPolarHBondContact CE-O 3.38Å; S830-S833 WeakPolarHBondContact O-CB 3.48Å; S830-S833 PolarHBondContact O-N 3.34Å; S830-S833 PolarHBondContact OG-OG 3.26Å; S831-S833 VanDerWaalsContact C-N 3.28Å; S831-S833 PolarHBondContact O-N 2.99Å; S833-K835 PolarHBondContact O-N 2.95Å; S833-K835 VanDerWaalsContact O-N 3.09Å; S833-R836 WeakPolarHBondContact O-CB 3.24Å; S833-R836 WeakPolarHBondContact O-CG 3.32Å; S833-R836 PolarHBondContact O-N 3.1Å; S833-R836 PolarHBondContact OG-NH2 3.43Å
834L86.7Confident88.7Confident9 Ų936 Ų365%0.04721%0.211CC..G310 helixtrans-60.6-17.6172.8-83.970000112.9L826 G832 A863 I870L826-L834 HydrophobicContact CD2-CD1 4.31Å; L826-L834 HydrophobicContact CD2-CD2 3.95Å; L826-L834 HydrophobicContact CD2-CG 4.01Å; G832-L834 VanDerWaalsContact C-N 3.3Å; G832-L834 PolarHBondContact O-N 3.1Å; L834-A863 HydrophobicContact CD2-CB 4Å; L834-I870 HydrophobicContact CB-CD1 4.33Å; L834-I870 WeakPolarHBondContact O-CD1 3.45Å
835K87.8Confident88.6Confident120 Ų12036 Ų3652%0.52221%0.211SC..G310 helixtrans-82.4-6.5176.5-59.3179.9-176.3172.90114.1G832 S833 L873G832-K835 PolarHBondContact O-N 3.42Å; S833-K835 PolarHBondContact O-N 2.95Å; S833-K835 VanDerWaalsContact O-N 3.09Å; K835-L873 HydrophobicContact CB-CD1 4.35Å; K835-L873 HydrophobicContact CG-CD1 4.3Å
836R88.9Confident88.6Confident83 Ų8336 Ų3631%0.31321%0.211SC..  trans-63.8136.4177.4-66.7-176.9-162.6-177.99109.9D736 M738 T758 H761 S833D736-R836 IonicContact OD2-CZ 2.83Å; D736-R836 IonicContact OD2-NH1 3.44Å; D736-R836 PolarHBondContact OD2-NH1 3.43Å; D736-R836 IonicContact OD2-NH2 2.68Å; D736-R836 PolarHBondContact OD2-NH2 3.22Å; M738-R836 WeakPolarHBondContact O-CD 3.05Å; M738-R836 PolarHBondContact O-NH1 3.45Å; T758-R836 HydrophobicContact CG2-CB 4.33Å; H761-R836 PolarHBondContact CE1-O 3.07Å; S833-R836 WeakPolarHBondContact O-CB 3.24Å; S833-R836 WeakPolarHBondContact O-CG 3.32Å; S833-R836 PolarHBondContact O-N 3.1Å; S833-R836 PolarHBondContact OG-NH2 3.43Å
837A90.2Very high88.5Confident41 Ų4136.2 Ų36.234%0.33921%0.212SC..BIsolated β-bridgetrans-126.4156.7-178.200000110.8D842 T843A837-D842 WeakPolarHBondContact CA-O 3.36Å; A837-T843 HydrophobicContact CB-CG2 4.03Å
838N90.1Very high88.6Confident7 Ų735.2 Ų35.24%0.03721%0.207CC..  trans-81-178171.774.414000112.1L754 L840 G841 D842 H847L754-N838 HydrophobicContact CB-CB 4.45Å; N838-L840 PolarHBondContact O-N 3.28Å; N838-L840 WeakPolarHBondContact OD1-CA 3.35Å; N838-L840 WeakPolarHBondContact OD1-CB 3.17Å; N838-L840 PolarHBondContact OD1-N 2.98Å; N838-G841 PolarHBondContact O-N 3Å; N838-D842 PolarHBondContact N-O 3.45Å; N838-D842 PolarHBondContact OD1-N 3.11Å; N838-H847 PolarHBondContact ND2-NE2 3.46Å
839Q88.1Confident88.5Confident122 Ų12234.1 Ų34.157%0.5720%0.201SC*.THydrogen-bonded Turntrans-58.4-17.7179.9-171.8174.70.100115.3P755 H876P755-Q839 HydrophobicContact CB-CB 4.42Å; P755-Q839 VanDerWaalsContact CD-OE1 3.27Å; P755-Q839 VanDerWaalsContact CG-OE1 3.25Å; P755-Q839 WeakPolarHBondContact O-CB 3.16Å; P755-Q839 PolarHBondContact O-N 2.96Å; Q839-H876 PolarHBondContact O-CE1 3Å; Q839-H876 PolarHBondContact O-ND1 3.4Å
840L89Confident88.5Confident59 Ų5937.2 Ų37.231%0.30921%0.21SC..THydrogen-bonded Turntrans-88.8-1.3173.3-61.4176.6000113L754 F800 N838 D842 N875 H876L754-L840 HydrophobicContact CD1-CD1 3.59Å; L754-L840 HydrophobicContact CD1-CG 3.91Å; F800-L840 HydrophobicContact CE1-CD1 4.42Å; F800-L840 HydrophobicContact CZ-CD1 4.39Å; N838-L840 PolarHBondContact O-N 3.28Å; N838-L840 WeakPolarHBondContact OD1-CA 3.35Å; N838-L840 WeakPolarHBondContact OD1-CB 3.17Å; N838-L840 PolarHBondContact OD1-N 2.98Å; L840-D842 PolarHBondContact O-N 2.8Å; L840-N875 WeakPolarHBondContact O-CB 2.84Å; L840-H876 VanDerWaalsContact C-ND1 3.31Å; L840-H876 VanDerWaalsContact O-CB 3.31Å; L840-H876 WeakPolarHBondContact O-CB 3.26Å; L840-H876 PolarHBondContact O-N 3.4Å
841G89.9Confident88.7Confident5 Ų536.5 Ų36.55%0.05220%0.197CC..SBendtrans75.81.1-171.300000113.5N838 T843 N875 H876N838-G841 PolarHBondContact O-N 3Å; G841-T843 PolarHBondContact O-N 3.04Å; G841-N875 WeakPolarHBondContact O-CA 3.25Å; G841-H876 PolarHBondContact N-CE1 3.41Å; G841-H876 PolarHBondContact N-ND1 3.5Å
842D91.7Very high89.2Confident2 Ų232 Ų321%0.01117%0.165CC..  trans-68.2123.2174.2-90.88.1000109.4H761 A837 N838 L840 H846 R850 N875H761-D842 PolarHBondContact NE2-O 3.19Å; A837-D842 WeakPolarHBondContact CA-O 3.36Å; N838-D842 PolarHBondContact N-O 3.45Å; N838-D842 PolarHBondContact OD1-N 3.11Å; L840-D842 PolarHBondContact O-N 2.8Å; D842-H846 HydrophobicContact CB-CB 3.93Å; D842-R850 VanDerWaalsContact CG-NH2 3.3Å; D842-R850 IonicContact OD1-NH2 3.3Å; D842-R850 PolarHBondContact OD1-NH2 3.5Å; D842-R850 VanDerWaalsContact OD1-NH2 3.07Å; D842-R850 IonicContact OD2-CZ 2.8Å; D842-R850 IonicContact OD2-NE 2.68Å; D842-R850 PolarHBondContact OD2-NE 3.36Å; D842-R850 IonicContact OD2-NH2 3.4Å; D842-R850 PolarHBondContact OD2-NH2 3.05Å; D842-N875 WeakPolarHBondContact OD1-CB 3.07Å; D842-N875 PolarHBondContact OD1-ND2 2.92Å
843T93.1Very high89.7Confident3 Ų329.5 Ų29.52%0.01814%0.139CC..BIsolated β-bridgetrans-87.4172.9166.668.80000111.3H761 A837 G841 L845 H846 H847 L873H761-T843 WeakPolarHBondContact NE2-CA 3.47Å; A837-T843 HydrophobicContact CB-CG2 4.03Å; G841-T843 PolarHBondContact O-N 3.04Å; T843-L845 PolarHBondContact O-N 3.28Å; T843-L845 VanDerWaalsContact O-N 3.13Å; T843-L845 PolarHBondContact OG1-N 3.4Å; T843-H846 PolarHBondContact N-ND1 3.04Å; T843-H846 WeakPolarHBondContact O-CA 3.2Å; T843-H846 WeakPolarHBondContact O-CB 3.37Å; T843-H846 PolarHBondContact O-N 2.89Å; T843-H846 PolarHBondContact OG1-ND1 2.78Å; T843-H847 PolarHBondContact O-CD2 2.9Å; T843-H847 PolarHBondContact O-N 2.85Å; T843-L873 HydrophobicContact CG2-CD1 4.21Å
844A92.3Very high89.9Confident1 Ų129.6 Ų29.61%0.00814%0.139CC..Hα-helixtrans-55.8-30.8174.800000113.6L760 H761 H847 A848 I860L760-A844 HydrophobicContact CB-CB 4.49Å; L760-A844 HydrophobicContact CD2-CB 3.55Å; L760-A844 HydrophobicContact CG-CB 3.71Å; H761-A844 PolarHBondContact CD2-N 3.31Å; H761-A844 PolarHBondContact NE2-N 3.36Å; H761-A844 VanDerWaalsContact NE2-N 3.12Å; A844-H847 PolarHBondContact O-N 3.38Å; A844-A848 PolarHBondContact O-N 3.45Å; A844-I860 HydrophobicContact CB-CD1 4.16Å
845L93.3Very high89.9Confident0 Ų029.9 Ų29.90%014%0.141CC..Hα-helixtrans-70.1-36.1174-172.760.9000112.2T843 H847 A848 A849 L857 I860 V861 I870 L871 A881 L918T843-L845 PolarHBondContact O-N 3.28Å; T843-L845 VanDerWaalsContact O-N 3.13Å; T843-L845 PolarHBondContact OG1-N 3.4Å; L845-H847 VanDerWaalsContact C-N 3.32Å; L845-A848 PolarHBondContact O-N 3.16Å; L845-A849 WeakPolarHBondContact O-CB 3.05Å; L845-A849 PolarHBondContact O-N 3.28Å; L845-L857 HydrophobicContact CD1-CD1 4.49Å; L845-L857 HydrophobicContact CD1-CG 3.97Å; L845-I860 HydrophobicContact CB-CG2 3.94Å; L845-I860 HydrophobicContact CD1-CB 4.34Å; L845-I860 HydrophobicContact CD1-CG2 4Å; L845-I860 HydrophobicContact CG-CG2 4.46Å; L845-V861 HydrophobicContact CD1-CG2 4.03Å; L845-I870 HydrophobicContact CB-CD1 4.05Å; L845-I870 HydrophobicContact CB-CG1 4.25Å; L845-I870 HydrophobicContact CD2-CG1 4.17Å; L845-I870 HydrophobicContact CD2-CG2 4Å; L845-L871 HydrophobicContact CD2-CD2 4.31Å; L845-A881 HydrophobicContact CB-CB 4.49Å; L845-A881 HydrophobicContact CD2-CB 4.11Å; L845-A881 HydrophobicContact CG-CB 3.75Å; L845-L918 HydrophobicContact CD1-CD2 4.48Å
846H93.4Very high90Very high0 Ų024.2 Ų24.20%012%0.116CC..Hα-helixtrans-65.5-36.8172.7-65.679.2000111D842 T843 R850 L873 Q879 A881 I884D842-H846 HydrophobicContact CB-CB 3.93Å; T843-H846 PolarHBondContact N-ND1 3.04Å; T843-H846 WeakPolarHBondContact O-CA 3.2Å; T843-H846 WeakPolarHBondContact O-CB 3.37Å; T843-H846 PolarHBondContact O-N 2.89Å; T843-H846 PolarHBondContact OG1-ND1 2.78Å; H846-R850 WeakPolarHBondContact O-CB 3.49Å; H846-R850 PolarHBondContact O-N 3.31Å; H846-L873 PolarHBondContact CE1-O 3.24Å; H846-L873 VanDerWaalsContact CE1-O 3.23Å; H846-L873 PolarHBondContact NE2-O 3.05Å; H846-Q879 PolarHBondContact NE2-O 3.23Å; H846-Q879 VanDerWaalsContact NE2-O 3.16Å; H846-A881 PolarHBondContact CD2-N 2.98Å; H846-A881 PolarHBondContact NE2-N 3Å; H846-I884 HydrophobicContact CB-CD1 3.85Å
847H90.9Very high90.1Very high13 Ų1320.2 Ų20.26%0.0610%0.101CC..Hα-helixtrans-64.9-46171.9-80.3-119.6000112H761 V764 N838 T843 A844 L845 A849 R850 Y851H761-H847 AromaticContact CD2-CD2 3.61Å; H761-H847 AromaticContact CD2-NE2 3.73Å; V764-H847 HydrophobicContact CB-CB 4.43Å; V764-H847 HydrophobicContact CG1-CB 3.91Å; N838-H847 PolarHBondContact ND2-NE2 3.46Å; T843-H847 PolarHBondContact O-CD2 2.9Å; T843-H847 PolarHBondContact O-N 2.85Å; A844-H847 PolarHBondContact O-N 3.38Å; L845-H847 VanDerWaalsContact C-N 3.32Å; H847-A849 VanDerWaalsContact C-N 3.28Å; H847-A849 PolarHBondContact O-N 3.2Å; H847-R850 PolarHBondContact O-N 3.29Å; H847-R850 VanDerWaalsContact O-N 3.08Å; H847-Y851 HydrophobicContact CB-CD2 4.37Å; H847-Y851 HydrophobicContact CB-CE2 4.49Å; H847-Y851 AromaticContact ND1-CE2 3.77Å; H847-Y851 VanDerWaalsContact O-CD2 3.27Å; H847-Y851 WeakPolarHBondContact O-CD2 3.36Å; H847-Y851 PolarHBondContact O-N 2.98Å
848A91.4Very high90.2Very high0 Ų018.5 Ų18.50%09%0.086CC..Hα-helixtrans-62.5-37.8178.800000111.7V764 A844 L845 G852 C853 L857 I860V764-A848 VanDerWaalsContact CG1-CA 3.45Å; V764-A848 HydrophobicContact CG1-CB 3.7Å; V764-A848 VanDerWaalsContact CG1-N 3.34Å; A844-A848 PolarHBondContact O-N 3.45Å; L845-A848 PolarHBondContact O-N 3.16Å; A848-G852 PolarHBondContact O-N 3.42Å; A848-C853 HydrophobicContact CB-CB 4.4Å; A848-C853 PolarHBondContact O-N 3.23Å; A848-L857 HydrophobicContact CB-CB 3.99Å; A848-I860 HydrophobicContact CB-CD1 4Å
849A92.2Very high90.2Very high0 Ų018.2 Ų18.20%09%0.085CC..Hα-helixtrans-63.7-45.5169.500000112.9L845 H847 G852 A881 I884 V885 Y911L845-A849 WeakPolarHBondContact O-CB 3.05Å; L845-A849 PolarHBondContact O-N 3.28Å; H847-A849 VanDerWaalsContact C-N 3.28Å; H847-A849 PolarHBondContact O-N 3.2Å; A849-G852 PolarHBondContact O-N 2.86Å; A849-A881 HydrophobicContact CB-CB 3.98Å; A849-A881 VanDerWaalsContact CB-O 3.24Å; A849-A881 WeakPolarHBondContact CB-O 3.41Å; A849-I884 HydrophobicContact CB-CB 4.29Å; A849-I884 HydrophobicContact CB-CG2 4.13Å; A849-V885 HydrophobicContact CB-CG2 3.77Å; A849-Y911 WeakPolarHBondContact O-CE1 3.38Å
850R90.2Very high90.3Very high81 Ų8112.5 Ų12.531%0.3066%0.058SC..Hα-helixtrans-65.7-42-176.9-171.6178-62.7-68.93.4112.7D842 H846 H847 I884 Y911D842-R850 VanDerWaalsContact CG-NH2 3.3Å; D842-R850 IonicContact OD1-NH2 3.3Å; D842-R850 PolarHBondContact OD1-NH2 3.5Å; D842-R850 VanDerWaalsContact OD1-NH2 3.07Å; D842-R850 IonicContact OD2-CZ 2.8Å; D842-R850 IonicContact OD2-NE 2.68Å; D842-R850 PolarHBondContact OD2-NE 3.36Å; D842-R850 IonicContact OD2-NH2 3.4Å; D842-R850 PolarHBondContact OD2-NH2 3.05Å; H846-R850 WeakPolarHBondContact O-CB 3.49Å; H846-R850 PolarHBondContact O-N 3.31Å; H847-R850 PolarHBondContact O-N 3.29Å; H847-R850 VanDerWaalsContact O-N 3.08Å; R850-I884 HydrophobicContact CB-CG2 4.04Å; R850-Y911 PolarHBondContact O-OH 3Å
851Y87Confident90.3Very high61 Ų619.7 Ų9.724%0.2394%0.043CC..THydrogen-bonded Turntrans-93.74.3-179.2-63.1-70000114.3E765 N768 I772 H847 C853E765-Y851 HydrophobicContact CB-CD2 4.19Å; E765-Y851 HydrophobicContact CB-CE2 3.87Å; E765-Y851 HydrophobicContact CG-CD2 4.35Å; E765-Y851 HydrophobicContact CG-CE1 4.16Å; E765-Y851 HydrophobicContact CG-CE2 3.81Å; N768-Y851 PolarHBondContact ND2-O 2.86Å; I772-Y851 HydrophobicContact CD1-CD1 4.19Å; H847-Y851 HydrophobicContact CB-CD2 4.37Å; H847-Y851 HydrophobicContact CB-CE2 4.49Å; H847-Y851 AromaticContact ND1-CE2 3.77Å; H847-Y851 VanDerWaalsContact O-CD2 3.27Å; H847-Y851 WeakPolarHBondContact O-CD2 3.36Å; H847-Y851 PolarHBondContact O-N 2.98Å; Y851-C853 VanDerWaalsContact C-N 3.28Å; Y851-C853 WeakPolarHBondContact CB-SG 3.49Å; Y851-C853 PolarHBondContact O-N 3.27Å
852G86Confident90.2Very high1 Ų112.5 Ų12.51%0.016%0.055CC..THydrogen-bonded Turntrans67.724.2177.700000114.2N768 A848 A849 V854N768-G852 VanDerWaalsContact ND2-C 3.28Å; N768-G852 PolarHBondContact ND2-O 3.07Å; N768-G852 VanDerWaalsContact ND2-O 3.16Å; A848-G852 PolarHBondContact O-N 3.42Å; A849-G852 PolarHBondContact O-N 2.86Å; G852-V854 VanDerWaalsContact C-N 3.29Å; G852-V854 PolarHBondContact O-N 3.13Å
853C87.3Confident90Very high3 Ų314.1 Ų14.12%0.027%0.069CC..  trans-77.572.8-173-52.30000111.1V764 T767 N768 A848 Y851 D855 A856 L857V764-C853 HydrophobicContact CG1-CB 4.47Å; V764-C853 PolarHBondContact O-SG 2.96Å; V764-C853 VanDerWaalsContact O-SG 3.33Å; T767-C853 PolarHBondContact OG1-SG 2.89Å; N768-C853 PolarHBondContact ND2-N 3.34Å; A848-C853 HydrophobicContact CB-CB 4.4Å; A848-C853 PolarHBondContact O-N 3.23Å; Y851-C853 VanDerWaalsContact C-N 3.28Å; Y851-C853 WeakPolarHBondContact CB-SG 3.49Å; Y851-C853 PolarHBondContact O-N 3.27Å; C853-D855 VanDerWaalsContact C-N 3.3Å; C853-D855 PolarHBondContact O-N 3.12Å; C853-A856 HydrophobicContact CB-CB 3.81Å; C853-A856 PolarHBondContact O-N 3.07Å; C853-A856 VanDerWaalsContact O-N 3.13Å; C853-L857 WeakPolarHBondContact O-CB 3.45Å; C853-L857 PolarHBondContact O-N 3.34Å
854V88.4Confident89.3Confident11 Ų1115.1 Ų15.17%0.0678%0.08CC..Hα-helixtrans-46.6-49.4-174.9176.50000112.7G852 L857 K858 T910 T913 I917G852-V854 VanDerWaalsContact C-N 3.29Å; G852-V854 PolarHBondContact O-N 3.13Å; V854-L857 WeakPolarHBondContact O-CB 3.44Å; V854-L857 PolarHBondContact O-N 2.73Å; V854-K858 WeakPolarHBondContact O-CG 3.39Å; V854-K858 PolarHBondContact O-N 3.48Å; V854-T910 HydrophobicContact CG2-CG2 4.1Å; V854-T910 WeakPolarHBondContact CG2-O 2.99Å; V854-T913 HydrophobicContact CG1-CG2 3.7Å; V854-T913 HydrophobicContact CG2-CG2 4.41Å; V854-I917 HydrophobicContact CG1-CD1 4.24Å
855D87.9Confident88.6Confident14 Ų1416.6 Ų16.68%0.07510%0.095CC..Hα-helixtrans-73.5-38.4-176.2-73.6-13.5000112.4L819 C853 L857 K858 L859 L969 N970 S971L819-D855 HydrophobicContact CD1-CB 3.98Å; L819-D855 HydrophobicContact CD2-CB 3.86Å; C853-D855 VanDerWaalsContact C-N 3.3Å; C853-D855 PolarHBondContact O-N 3.12Å; D855-L857 VanDerWaalsContact C-N 3.28Å; D855-L857 PolarHBondContact O-N 3.04Å; D855-K858 WeakPolarHBondContact O-CB 3.28Å; D855-K858 PolarHBondContact O-N 3.23Å; D855-K858 IonicContact OD1-NZ 3.75Å; D855-L859 WeakPolarHBondContact O-CG 3.13Å; D855-L859 PolarHBondContact O-N 3.48Å; D855-L969 HydrophobicContact CB-CD2 4.04Å; D855-N970 VanDerWaalsContact CG-N 3.28Å; D855-N970 PolarHBondContact OD1-N 2.97Å; D855-N970 PolarHBondContact OD2-N 3.14Å; D855-S971 VanDerWaalsContact OD2-CB 3.24Å; D855-S971 WeakPolarHBondContact OD2-CB 3.24Å; D855-S971 PolarHBondContact OD2-N 2.91Å; D855-S971 PolarHBondContact OD2-OG 3.31Å
856A89.7Confident87.4Confident1 Ų118.3 Ų18.31%0.00810%0.104CC..Hα-helixtrans-64.1-36.1172.700000111.3V764 L819 V822 C853 L859 I860V764-A856 HydrophobicContact CG1-CB 4.48Å; V764-A856 HydrophobicContact CG2-CB 4.31Å; L819-A856 HydrophobicContact CD1-CB 4.07Å; V822-A856 HydrophobicContact CG1-CB 4.3Å; C853-A856 HydrophobicContact CB-CB 3.81Å; C853-A856 PolarHBondContact O-N 3.07Å; C853-A856 VanDerWaalsContact O-N 3.13Å; A856-L859 PolarHBondContact O-N 3.24Å; A856-I860 WeakPolarHBondContact O-CB 3.35Å; A856-I860 WeakPolarHBondContact O-CD1 3.33Å; A856-I860 WeakPolarHBondContact O-CG1 3.09Å; A856-I860 PolarHBondContact O-N 2.9Å
857L91.2Very high86.1Confident0 Ų020.5 Ų20.50%012%0.118CC..Hα-helixtrans-63.1-42.6173.2-176.6153.6000111.4L845 A848 C853 V854 D855 I860 V861 C914 I917 L918L845-L857 HydrophobicContact CD1-CD1 4.49Å; L845-L857 HydrophobicContact CD1-CG 3.97Å; A848-L857 HydrophobicContact CB-CB 3.99Å; C853-L857 WeakPolarHBondContact O-CB 3.45Å; C853-L857 PolarHBondContact O-N 3.34Å; V854-L857 WeakPolarHBondContact O-CB 3.44Å; V854-L857 PolarHBondContact O-N 2.73Å; D855-L857 VanDerWaalsContact C-N 3.28Å; D855-L857 PolarHBondContact O-N 3.04Å; L857-I860 PolarHBondContact O-N 3.34Å; L857-V861 HydrophobicContact CD2-CG2 4.2Å; L857-V861 WeakPolarHBondContact O-CB 3.21Å; L857-V861 VanDerWaalsContact O-CG2 3.28Å; L857-V861 WeakPolarHBondContact O-CG2 3.08Å; L857-V861 PolarHBondContact O-N 3.26Å; L857-C914 HydrophobicContact CD1-CB 3.88Å; L857-I917 HydrophobicContact CD2-CB 4.1Å; L857-I917 HydrophobicContact CD2-CD1 4.48Å; L857-I917 HydrophobicContact CD2-CG2 3.68Å; L857-L918 HydrophobicContact CD1-CD1 4.04Å; L857-L918 HydrophobicContact CD1-CD2 4.24Å; L857-L918 HydrophobicContact CD1-CG 4.09Å; L857-L918 HydrophobicContact CD2-CD2 4.24Å; L857-L918 HydrophobicContact CD2-CG 4.35Å; L857-L918 HydrophobicContact CG-CD2 4.43Å
858K90.6Very high85.1Confident5 Ų520.4 Ų20.42%0.02212%0.118CC..Hα-helixtrans-57.4-51173.8-70.2173.3179.2-179.60111.2V854 D855 I860 V861 Q862 I917 L965 L966 Q968 L969 N970V854-K858 WeakPolarHBondContact O-CG 3.39Å; V854-K858 PolarHBondContact O-N 3.48Å; D855-K858 WeakPolarHBondContact O-CB 3.28Å; D855-K858 PolarHBondContact O-N 3.23Å; D855-K858 IonicContact OD1-NZ 3.75Å; K858-I860 PolarHBondContact O-N 3.05Å; K858-V861 PolarHBondContact O-N 3.39Å; K858-Q862 WeakPolarHBondContact O-CB 3.06Å; K858-Q862 PolarHBondContact O-N 2.96Å; K858-I917 HydrophobicContact CD-CD1 4.43Å; K858-I917 HydrophobicContact CG-CD1 3.88Å; K858-L965 WeakPolarHBondContact CD-O 3.1Å; K858-L965 WeakPolarHBondContact CE-O 3.48Å; K858-L965 PolarHBondContact NZ-O 2.72Å; K858-L966 HydrophobicContact CB-CD2 3.92Å; K858-L966 HydrophobicContact CG-CD2 4.04Å; K858-Q968 PolarHBondContact NZ-O 2.89Å; K858-L969 HydrophobicContact CB-CD2 4.27Å; K858-L969 HydrophobicContact CD-CD2 4.19Å; K858-N970 PolarHBondContact NZ-OD1 2.84Å
859L89.9Confident84.5Confident1 Ų123.8 Ų23.81%0.00514%0.141CC..Hα-helixtrans-62.5-43.6-179.4-63.6178.1000112.4N611 L614 L819 E823 L826 D855 A856 Q862 A863 L969N611-L859 HydrophobicContact CB-CD2 3.76Å; L614-L859 HydrophobicContact CD2-CD1 3.89Å; L819-L859 HydrophobicContact CD1-CD1 3.69Å; L819-L859 HydrophobicContact CD2-CD1 4.4Å; L819-L859 HydrophobicContact CG-CD1 3.83Å; E823-L859 HydrophobicContact CB-CD1 4.03Å; E823-L859 WeakPolarHBondContact OE2-CD2 2.89Å; L826-L859 HydrophobicContact CD1-CB 3.83Å; D855-L859 WeakPolarHBondContact O-CG 3.13Å; D855-L859 PolarHBondContact O-N 3.48Å; A856-L859 PolarHBondContact O-N 3.24Å; L859-Q862 PolarHBondContact O-N 3.17Å; L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.28Å; L859-A863 PolarHBondContact O-N 3.31Å; L859-L969 HydrophobicContact CD2-CD1 4.24Å; L859-L969 HydrophobicContact CD2-CD2 4.04Å; L859-L969 HydrophobicContact CG-CD2 4.2Å
860I91.3Very high84.2Confident1 Ų124 Ų241%0.00514%0.142CC..Hα-helixtrans-65.6-41.9178.4-65.5162.9000111.5V764 L826 A844 L845 A848 A856 L857 K858 G864 I870V764-I860 HydrophobicContact CG2-CD1 3.87Å; L826-I860 HydrophobicContact CD1-CG1 3.87Å; L826-I860 HydrophobicContact CD2-CG1 4.25Å; A844-I860 HydrophobicContact CB-CD1 4.16Å; L845-I860 HydrophobicContact CB-CG2 3.94Å; L845-I860 HydrophobicContact CD1-CB 4.34Å; L845-I860 HydrophobicContact CD1-CG2 4Å; L845-I860 HydrophobicContact CG-CG2 4.46Å; A848-I860 HydrophobicContact CB-CD1 4Å; A856-I860 WeakPolarHBondContact O-CB 3.35Å; A856-I860 WeakPolarHBondContact O-CD1 3.33Å; A856-I860 WeakPolarHBondContact O-CG1 3.09Å; A856-I860 PolarHBondContact O-N 2.9Å; L857-I860 PolarHBondContact O-N 3.34Å; K858-I860 PolarHBondContact O-N 3.05Å; I860-G864 PolarHBondContact O-N 2.95Å; I860-I870 HydrophobicContact CG2-CD1 4.15Å
861V89.4Confident84Confident0 Ų021 Ų210%013%0.132CC..Hα-helixtrans-64.2-42.8176.2169.60000110.6L845 L857 K858 G864 G865 L871 L918 L966L845-V861 HydrophobicContact CD1-CG2 4.03Å; L857-V861 HydrophobicContact CD2-CG2 4.2Å; L857-V861 WeakPolarHBondContact O-CB 3.21Å; L857-V861 VanDerWaalsContact O-CG2 3.28Å; L857-V861 WeakPolarHBondContact O-CG2 3.08Å; L857-V861 PolarHBondContact O-N 3.26Å; K858-V861 PolarHBondContact O-N 3.39Å; V861-G864 PolarHBondContact O-N 3.29Å; V861-G865 PolarHBondContact O-N 3Å; V861-L871 HydrophobicContact CG2-CD2 4.41Å; V861-L918 HydrophobicContact CG2-CD2 4.39Å; V861-L966 HydrophobicContact CB-CD2 4.28Å; V861-L966 HydrophobicContact CG1-CD1 4.23Å; V861-L966 HydrophobicContact CG1-CD2 4.16Å
862Q87.4Confident83.9Confident64 Ų6423.5 Ų23.530%0.29915%0.146SC..Hα-helixtrans-64.6-48177.5-178.5178.2-2.100112.6N611 K858 L859 G864 G865N611-Q862 PolarHBondContact ND2-NE2 3.31Å; N611-Q862 PolarHBondContact ND2-OE1 3.12Å; K858-Q862 WeakPolarHBondContact O-CB 3.06Å; K858-Q862 PolarHBondContact O-N 2.96Å; L859-Q862 PolarHBondContact O-N 3.17Å; Q862-G864 PolarHBondContact O-N 3.03Å; Q862-G865 PolarHBondContact O-N 3.23Å
863A86.3Confident84.1Confident36 Ų3626.3 Ų26.330%0.29816%0.16SC..Hα-helixtrans-64.9-25.2177.600000112.9L826 L834 L859L826-A863 HydrophobicContact CB-CB 4.17Å; L826-A863 HydrophobicContact CD1-CB 4.36Å; L826-A863 HydrophobicContact CD2-CB 4.05Å; L826-A863 HydrophobicContact CG-CB 4.43Å; L834-A863 HydrophobicContact CD2-CB 4Å; L859-A863 VanDerWaalsContact O-CB 3.28Å; L859-A863 WeakPolarHBondContact O-CB 3.28Å; L859-A863 PolarHBondContact O-N 3.31Å
864G79.3Confident84.3Confident25 Ų2529.9 Ų29.926%0.25818%0.182SC..Hα-helixtrans-76.3-17.9171.700000114.9I860 V861 Q862 T868I860-G864 PolarHBondContact O-N 2.95Å; V861-G864 PolarHBondContact O-N 3.29Å; Q862-G864 PolarHBondContact O-N 3.03Å; G864-T868 WeakPolarHBondContact O-CB 2.96Å; G864-T868 PolarHBondContact O-OG1 3.06Å
865G77Confident84.5Confident32 Ų3229.7 Ų29.733%0.3318%0.18SC..  trans82.3180-173.400000114.6V861 Q862 T868V861-G865 PolarHBondContact O-N 3Å; Q862-G865 PolarHBondContact O-N 3.23Å; G865-T868 WeakPolarHBondContact O-CB 3.37Å; G865-T868 WeakPolarHBondContact O-CG2 3.3Å
866I69.3Low84.6Confident35 Ų3535.8 Ų35.818%0.17921%0.208CC..SBendtrans-139.7122.7173.3-58.5163000108.3I924 L962 L966I866-I924 HydrophobicContact CG2-CG2 3.81Å; I866-L962 HydrophobicContact CD1-CD2 3.62Å; I866-L962 HydrophobicContact CD1-CG 4.06Å; I866-L962 HydrophobicContact CG1-CD2 4.45Å; I866-L966 HydrophobicContact CD1-CD1 3.94Å
867P65.6Low84.6Confident46 Ų4641.2 Ų41.230%0.29924%0.237SC..SBendcis-75.4131.4-3.932.2-35.3000112.2A925 I928P867-A925 HydrophobicContact CB-CB 3.7Å; P867-I928 HydrophobicContact CG-CB 4.49Å; P867-I928 HydrophobicContact CG-CD1 4.49Å; P867-I928 HydrophobicContact CG-CG2 3.99Å
868T71Confident84.5Confident11 Ų1143.6 Ų43.67%0.06726%0.262CS..  trans-105135.5178.4-174.90000113.2G864 G865 I870 L871G864-T868 WeakPolarHBondContact O-CB 2.96Å; G864-T868 PolarHBondContact O-OG1 3.06Å; G865-T868 WeakPolarHBondContact O-CB 3.37Å; G865-T868 WeakPolarHBondContact O-CG2 3.3Å; T868-I870 HydrophobicContact CG2-CG2 3.62Å; T868-I870 PolarHBondContact O-N 2.75Å; T868-I870 WeakPolarHBondContact OG1-CG2 3.47Å; T868-I870 PolarHBondContact OG1-N 3.05Å; T868-L871 HydrophobicContact CG2-CD1 3.63Å; T868-L871 HydrophobicContact CG2-CG 3.79Å
869P77.6Confident84.6Confident72 Ų7245.6 Ų45.647%0.46827%0.271SS..G310 helixtrans-61.2-22174.3-25.135.1000114.8L871 Q872P869-L871 PolarHBondContact O-N 3.39Å; P869-Q872 PolarHBondContact O-N 2.78Å; P869-Q872 VanDerWaalsContact O-N 3.12Å
870I85Confident84.7Confident5 Ų546.7 Ų46.73%0.02628%0.278CS..G310 helixtrans-65.5-24.6-175.4-163.8172.3000113L834 L845 I860 T868 Q872 L873L834-I870 HydrophobicContact CB-CD1 4.33Å; L834-I870 WeakPolarHBondContact O-CD1 3.45Å; L845-I870 HydrophobicContact CB-CD1 4.05Å; L845-I870 HydrophobicContact CB-CG1 4.25Å; L845-I870 HydrophobicContact CD2-CG1 4.17Å; L845-I870 HydrophobicContact CD2-CG2 4Å; I860-I870 HydrophobicContact CG2-CD1 4.15Å; T868-I870 HydrophobicContact CG2-CG2 3.62Å; T868-I870 PolarHBondContact O-N 2.75Å; T868-I870 WeakPolarHBondContact OG1-CG2 3.47Å; T868-I870 PolarHBondContact OG1-N 3.05Å; I870-Q872 PolarHBondContact O-N 3.29Å; I870-L873 HydrophobicContact CG1-CD1 4.29Å
871L86.3Confident84.8Confident17 Ų1746.8 Ų46.89%0.08928%0.278CS..G310 helixtrans-66.2-25.6175.7-71.5161.5000113L845 V861 T868 P869 L918L845-L871 HydrophobicContact CD2-CD2 4.31Å; V861-L871 HydrophobicContact CG2-CD2 4.41Å; T868-L871 HydrophobicContact CG2-CD1 3.63Å; T868-L871 HydrophobicContact CG2-CG 3.79Å; P869-L871 PolarHBondContact O-N 3.39Å; L871-L918 HydrophobicContact CD2-CD2 3.64Å
872Q86.2Confident85Confident114 Ų11448.2 Ų48.253%0.53329%0.286SS..G310 helixtrans-105.52.4-174.8-64.1-176.8-21.700113.1P869 I870P869-Q872 PolarHBondContact O-N 2.78Å; P869-Q872 VanDerWaalsContact O-N 3.12Å; I870-Q872 PolarHBondContact O-N 3.29Å
873L89.6Confident85.2Confident59 Ų5948 Ų4831%0.30929%0.287SS..  trans-74.4135.5171-63.9-179.1000109.6K835 T843 H846 I870K835-L873 HydrophobicContact CB-CD1 4.35Å; K835-L873 HydrophobicContact CG-CD1 4.3Å; T843-L873 HydrophobicContact CG2-CD1 4.21Å; H846-L873 PolarHBondContact CE1-O 3.24Å; H846-L873 VanDerWaalsContact CE1-O 3.23Å; H846-L873 PolarHBondContact NE2-O 3.05Å; I870-L873 HydrophobicContact CG1-CD1 4.29Å
874T91.9Very high85.5Confident79 Ų7946.5 Ų46.549%0.48527%0.274SS..BIsolated β-bridgetrans-105.8149.2170.749.50000110.7G878 Q879 T880T874-G878 WeakPolarHBondContact CG2-O 3.03Å; T874-Q879 CarbonylContact C-O 3.5Å; T874-Q879 VanDerWaalsContact CA-O 3.31Å; T874-Q879 WeakPolarHBondContact CA-O 2.96Å; T874-T880 HydrophobicContact CG2-CG2 3.64Å
875N91.8Very high86.1Confident6 Ų645.3 Ų45.33%0.03226%0.261CS..  trans-76.7179.5168.271.49.6000111.7L840 G841 D842 N877 G878 Q879L840-N875 WeakPolarHBondContact O-CB 2.84Å; G841-N875 WeakPolarHBondContact O-CA 3.25Å; D842-N875 WeakPolarHBondContact OD1-CB 3.07Å; D842-N875 PolarHBondContact OD1-ND2 2.92Å; N875-N877 PolarHBondContact O-N 2.85Å; N875-N877 VanDerWaalsContact O-N 3.14Å; N875-N877 WeakPolarHBondContact OD1-CA 3.28Å; N875-N877 WeakPolarHBondContact OD1-CB 3.43Å; N875-N877 PolarHBondContact OD1-N 2.96Å; N875-G878 WeakPolarHBondContact O-CA 2.75Å; N875-G878 PolarHBondContact O-N 3.35Å; N875-G878 PolarHBondContact OD1-N 2.8Å; N875-Q879 PolarHBondContact N-O 3.14Å; N875-Q879 WeakPolarHBondContact OD1-CB 3.43Å; N875-Q879 PolarHBondContact OD1-N 3.37Å; N875-Q879 PolarHBondContact OD1-O 3.18Å
876H90.9Very high86.8Confident143 Ų14346.3 Ų46.366%0.66226%0.258SS*.THydrogen-bonded Turntrans-65.6-15.3-179.5-62.8159.8000113.8Q839 L840 G841 G878Q839-H876 PolarHBondContact O-CE1 3Å; Q839-H876 PolarHBondContact O-ND1 3.4Å; L840-H876 VanDerWaalsContact C-ND1 3.31Å; L840-H876 VanDerWaalsContact O-CB 3.31Å; L840-H876 WeakPolarHBondContact O-CB 3.26Å; L840-H876 PolarHBondContact O-N 3.4Å; G841-H876 PolarHBondContact N-CE1 3.41Å; G841-H876 PolarHBondContact N-ND1 3.5Å; H876-G878 VanDerWaalsContact C-N 3.26Å
877N89.9Confident87.8Confident115 Ų11548.2 Ų48.262%0.61527%0.268SS*.THydrogen-bonded Turntrans-84.22.3170.9-60.5-14.2000112.7N875 Q879N875-N877 PolarHBondContact O-N 2.85Å; N875-N877 VanDerWaalsContact O-N 3.14Å; N875-N877 WeakPolarHBondContact OD1-CA 3.28Å; N875-N877 WeakPolarHBondContact OD1-CB 3.43Å; N875-N877 PolarHBondContact OD1-N 2.96Å; N877-Q879 VanDerWaalsContact C-N 3.28Å; N877-Q879 HydrophobicContact CB-CG 4.01Å; N877-Q879 PolarHBondContact O-N 3.16Å
878G89.4Confident88.9Confident50 Ų5047.6 Ų47.652%0.51526%0.264SS..SBendtrans74.911.6-175.800000114.5T874 N875 H876T874-G878 WeakPolarHBondContact CG2-O 3.03Å; N875-G878 WeakPolarHBondContact O-CA 2.75Å; N875-G878 PolarHBondContact O-N 3.35Å; N875-G878 PolarHBondContact OD1-N 2.8Å; H876-G878 VanDerWaalsContact C-N 3.26Å
879Q92Very high89.6Confident47 Ų4747.3 Ų47.322%0.2226%0.262CS..  trans-94.2132.8-177.5-54.2177-66.700110.3H846 T874 N875 N877 D883 I884H846-Q879 PolarHBondContact NE2-O 3.23Å; H846-Q879 VanDerWaalsContact NE2-O 3.16Å; T874-Q879 CarbonylContact C-O 3.5Å; T874-Q879 VanDerWaalsContact CA-O 3.31Å; T874-Q879 WeakPolarHBondContact CA-O 2.96Å; N875-Q879 PolarHBondContact N-O 3.14Å; N875-Q879 WeakPolarHBondContact OD1-CB 3.43Å; N875-Q879 PolarHBondContact OD1-N 3.37Å; N875-Q879 PolarHBondContact OD1-O 3.18Å; N877-Q879 VanDerWaalsContact C-N 3.28Å; N877-Q879 HydrophobicContact CB-CG 4.01Å; N877-Q879 PolarHBondContact O-N 3.16Å; Q879-D883 HydrophobicContact CB-CB 4.11Å; Q879-I884 HydrophobicContact CB-CG1 4.29Å
880T92.6Very high90.1Very high24 Ų2447.8 Ų47.815%0.14726%0.259CS..BIsolated β-bridgetrans-78.6170.1163.967.70000111T874 L882 D883 I884T874-T880 HydrophobicContact CG2-CG2 3.64Å; T880-L882 PolarHBondContact O-N 2.99Å; T880-L882 PolarHBondContact OG1-N 2.84Å; T880-D883 VanDerWaalsContact CB-OD2 3.31Å; T880-D883 WeakPolarHBondContact CB-OD2 3.15Å; T880-D883 WeakPolarHBondContact CG2-OD2 3.28Å; T880-D883 PolarHBondContact N-OD2 3.4Å; T880-D883 PolarHBondContact O-N 3.22Å; T880-D883 VanDerWaalsContact O-N 3.15Å; T880-D883 VanDerWaalsContact OG1-CG 3.31Å; T880-D883 PolarHBondContact OG1-N 3.46Å; T880-D883 VanDerWaalsContact OG1-N 3.14Å; T880-D883 PolarHBondContact OG1-OD2 3.48Å; T880-I884 PolarHBondContact O-N 2.95Å
881A92.1Very high90Very high2 Ų252.7 Ų52.72%0.01728%0.282CS..Hα-helixtrans-57.7-30.4168.600000113.1L845 H846 A849 V885 L918L845-A881 HydrophobicContact CB-CB 4.49Å; L845-A881 HydrophobicContact CD2-CB 4.11Å; L845-A881 HydrophobicContact CG-CB 3.75Å; H846-A881 PolarHBondContact CD2-N 2.98Å; H846-A881 PolarHBondContact NE2-N 3Å; A849-A881 HydrophobicContact CB-CB 3.98Å; A849-A881 VanDerWaalsContact CB-O 3.24Å; A849-A881 WeakPolarHBondContact CB-O 3.41Å; A881-V885 PolarHBondContact O-N 3.16Å; A881-L918 HydrophobicContact CB-CD1 4.47Å
882L92.9Very high89.6Confident31 Ų3155.3 Ų55.316%0.16229%0.291CS..Hα-helixtrans-70-45.8173.817758000110.9T880 I884 V885 E886 Q915 L918 K919T880-L882 PolarHBondContact O-N 2.99Å; T880-L882 PolarHBondContact OG1-N 2.84Å; L882-I884 VanDerWaalsContact C-N 3.26Å; L882-I884 PolarHBondContact O-N 3.17Å; L882-V885 PolarHBondContact O-N 3.5Å; L882-E886 HydrophobicContact CD1-CG 4.02Å; L882-E886 HydrophobicContact CG-CG 4.04Å; L882-E886 WeakPolarHBondContact O-CG 3.29Å; L882-E886 PolarHBondContact O-N 3.35Å; L882-Q915 HydrophobicContact CD1-CG 4.31Å; L882-L918 HydrophobicContact CB-CB 4.41Å; L882-L918 HydrophobicContact CB-CD1 4.27Å; L882-L918 HydrophobicContact CD1-CB 3.99Å; L882-L918 HydrophobicContact CD1-CD1 4.42Å; L882-K919 HydrophobicContact CD1-CG 3.89Å; L882-K919 HydrophobicContact CD2-CG 3.84Å
883D93.3Very high89.3Confident59 Ų5955.8 Ų55.832%0.31629%0.292SS..Hα-helixtrans-60.5-35.9178.8-58.8-59.9000112.1Q879 T880 V885 E886 N887Q879-D883 HydrophobicContact CB-CB 4.11Å; T880-D883 VanDerWaalsContact CB-OD2 3.31Å; T880-D883 WeakPolarHBondContact CB-OD2 3.15Å; T880-D883 WeakPolarHBondContact CG2-OD2 3.28Å; T880-D883 PolarHBondContact N-OD2 3.4Å; T880-D883 PolarHBondContact O-N 3.22Å; T880-D883 VanDerWaalsContact O-N 3.15Å; T880-D883 VanDerWaalsContact OG1-CG 3.31Å; T880-D883 PolarHBondContact OG1-N 3.46Å; T880-D883 VanDerWaalsContact OG1-N 3.14Å; T880-D883 PolarHBondContact OG1-OD2 3.48Å; D883-V885 VanDerWaalsContact C-N 3.34Å; D883-V885 PolarHBondContact O-N 3.03Å; D883-E886 PolarHBondContact O-N 3.34Å; D883-N887 VanDerWaalsContact O-CB 3.29Å; D883-N887 WeakPolarHBondContact O-CB 3.16Å; D883-N887 PolarHBondContact O-N 2.87Å; D883-N887 PolarHBondContact O-ND2 2.68Å
884I92Very high88.7Confident4 Ų457.2 Ų57.22%0.02130%0.299CS..Hα-helixtrans-59.6-45.4173.3-69.9175.5000110.7H846 A849 R850 Q879 T880 L882 T888H846-I884 HydrophobicContact CB-CD1 3.85Å; A849-I884 HydrophobicContact CB-CB 4.29Å; A849-I884 HydrophobicContact CB-CG2 4.13Å; R850-I884 HydrophobicContact CB-CG2 4.04Å; Q879-I884 HydrophobicContact CB-CG1 4.29Å; T880-I884 PolarHBondContact O-N 2.95Å; L882-I884 VanDerWaalsContact C-N 3.26Å; L882-I884 PolarHBondContact O-N 3.17Å; I884-T888 VanDerWaalsContact O-CB 3.25Å; I884-T888 WeakPolarHBondContact O-CB 3.49Å; I884-T888 PolarHBondContact O-N 3.1Å; I884-T888 PolarHBondContact O-OG1 2.91Å
885V92.3Very high87.6Confident0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-67.9-43.1177.41780000111.5A849 A881 L882 D883 T888 L889 Y911 C914 Q915 L918A849-V885 HydrophobicContact CB-CG2 3.77Å; A881-V885 PolarHBondContact O-N 3.16Å; L882-V885 PolarHBondContact O-N 3.5Å; D883-V885 VanDerWaalsContact C-N 3.34Å; D883-V885 PolarHBondContact O-N 3.03Å; V885-T888 PolarHBondContact O-N 2.81Å; V885-L889 HydrophobicContact CG1-CD1 3.9Å; V885-L889 HydrophobicContact CG1-CG 4.34Å; V885-L889 WeakPolarHBondContact O-CB 3.37Å; V885-L889 WeakPolarHBondContact O-CG 3.1Å; V885-L889 PolarHBondContact O-N 3.15Å; V885-Y911 HydrophobicContact CG1-CD1 4.37Å; V885-Y911 VanDerWaalsContact CG1-O 3.24Å; V885-Y911 WeakPolarHBondContact CG1-O 3.43Å; V885-C914 HydrophobicContact CG1-CB 4.15Å; V885-C914 HydrophobicContact CG2-CB 3.95Å; V885-Q915 HydrophobicContact CG1-CB 3.81Å; V885-Q915 HydrophobicContact CG1-CG 4.5Å; V885-L918 HydrophobicContact CG2-CD1 4.1Å
886E92.2Very high86.2Confident54 Ų5460.6 Ų60.625%0.25232%0.317SS..Hα-helixtrans-59.7-50.7178.3-58.1-98.1103.200110.8L882 D883 T888 L889 I890 Q915 K919L882-E886 HydrophobicContact CD1-CG 4.02Å; L882-E886 HydrophobicContact CG-CG 4.04Å; L882-E886 WeakPolarHBondContact O-CG 3.29Å; L882-E886 PolarHBondContact O-N 3.35Å; D883-E886 PolarHBondContact O-N 3.34Å; E886-T888 PolarHBondContact O-N 3.16Å; E886-L889 PolarHBondContact O-N 3.45Å; E886-I890 VanDerWaalsContact O-CG1 3.31Å; E886-I890 WeakPolarHBondContact O-CG1 3.37Å; E886-I890 PolarHBondContact O-N 3.33Å; E886-Q915 WeakPolarHBondContact OE1-CG 3.49Å; E886-Q915 PolarHBondContact OE1-NE2 2.78Å; E886-K919 WeakPolarHBondContact OE1-CE 2.94Å; E886-K919 IonicContact OE1-NZ 3.98Å; E886-K919 PolarHBondContact OE1-NZ 3.04Å; E886-K919 IonicContact OE2-NZ 3.8Å; E886-K919 PolarHBondContact OE2-NZ 2.93Å; E886-K919 VanDerWaalsContact OE2-NZ 3.08Å
887N89.8Confident84.6Confident75 Ų7559 Ų5940%0.40132%0.317SS..Hα-helixtrans-62.8-41.7178.5-76.6-64.3000111.5D883 L889 I890 Q891D883-N887 VanDerWaalsContact O-CB 3.29Å; D883-N887 WeakPolarHBondContact O-CB 3.16Å; D883-N887 PolarHBondContact O-N 2.87Å; D883-N887 PolarHBondContact O-ND2 2.68Å; N887-L889 PolarHBondContact O-N 2.82Å; N887-I890 WeakPolarHBondContact O-CB 3.39Å; N887-I890 PolarHBondContact O-N 2.96Å; N887-Q891 WeakPolarHBondContact O-CG 3Å; N887-Q891 PolarHBondContact O-N 3.35Å
888T87.5Confident82.9Confident33 Ų3360.2 Ų60.220%0.20232%0.324CS..Hα-helixtrans-63-42.9176.5-58.60000111.4I884 V885 E886 I890 Q891 Y892 Y911I884-T888 VanDerWaalsContact O-CB 3.25Å; I884-T888 WeakPolarHBondContact O-CB 3.49Å; I884-T888 PolarHBondContact O-N 3.1Å; I884-T888 PolarHBondContact O-OG1 2.91Å; V885-T888 PolarHBondContact O-N 2.81Å; E886-T888 PolarHBondContact O-N 3.16Å; T888-I890 VanDerWaalsContact C-N 3.3Å; T888-I890 PolarHBondContact O-N 3.43Å; T888-Q891 PolarHBondContact O-N 3Å; T888-Y892 HydrophobicContact CG2-CD2 3.83Å; T888-Y892 HydrophobicContact CG2-CE2 3.58Å; T888-Y892 VanDerWaalsContact O-CD2 3.24Å; T888-Y892 WeakPolarHBondContact O-CD2 3.48Å; T888-Y892 PolarHBondContact O-N 2.94Å; T888-Y911 HydrophobicContact CG2-CD1 4.01Å; T888-Y911 HydrophobicContact CG2-CD2 4.22Å; T888-Y911 HydrophobicContact CG2-CE1 3.67Å; T888-Y911 HydrophobicContact CG2-CE2 3.93Å; T888-Y911 HydrophobicContact CG2-CG 4.28Å
889L87.1Confident80.7Confident4 Ų461.3 Ų61.32%0.02132%0.321CS..Hα-helixtrans-64.4-31.1173.9-76.1171.5000113.3V885 E886 N887 K893 L908 K912 Q915V885-L889 HydrophobicContact CG1-CD1 3.9Å; V885-L889 HydrophobicContact CG1-CG 4.34Å; V885-L889 WeakPolarHBondContact O-CB 3.37Å; V885-L889 WeakPolarHBondContact O-CG 3.1Å; V885-L889 PolarHBondContact O-N 3.15Å; E886-L889 PolarHBondContact O-N 3.45Å; N887-L889 PolarHBondContact O-N 2.82Å; L889-K893 WeakPolarHBondContact O-CD 3.02Å; L889-K893 VanDerWaalsContact O-CG 3.24Å; L889-K893 WeakPolarHBondContact O-CG 3.37Å; L889-K893 PolarHBondContact O-N 3.01Å; L889-L908 HydrophobicContact CD2-CD1 3.7Å; L889-K912 HydrophobicContact CD2-CG 4.36Å; L889-Q915 HydrophobicContact CD1-CB 3.92Å; L889-Q915 VanDerWaalsContact CD1-CD 3.5Å; L889-Q915 HydrophobicContact CD1-CG 4.08Å
890I87.3Confident78.6Confident82 Ų8267.2 Ų67.242%0.42135%0.354SS..Hα-helixtrans-69-47.2173-70.1162.4000110.1E886 N887 T888 Y892 K893 L894E886-I890 VanDerWaalsContact O-CG1 3.31Å; E886-I890 WeakPolarHBondContact O-CG1 3.37Å; E886-I890 PolarHBondContact O-N 3.33Å; N887-I890 WeakPolarHBondContact O-CB 3.39Å; N887-I890 PolarHBondContact O-N 2.96Å; T888-I890 VanDerWaalsContact C-N 3.3Å; T888-I890 PolarHBondContact O-N 3.43Å; I890-Y892 PolarHBondContact O-N 2.67Å; I890-K893 WeakPolarHBondContact O-CB 3.44Å; I890-K893 PolarHBondContact O-N 3.13Å; I890-K893 VanDerWaalsContact O-N 3.11Å; I890-L894 HydrophobicContact CG2-CD1 3.94Å; I890-L894 HydrophobicContact CG2-CG 4.39Å; I890-L894 WeakPolarHBondContact O-CG 3.08Å; I890-L894 PolarHBondContact O-N 2.98Å
891Q82.6Confident76.4Confident109 Ų10971.8 Ų71.851%0.50938%0.377SS..Hα-helixtrans-60.2-43.3177.7-66.3-64-700112.3N887 T888 K893 L894 N895N887-Q891 WeakPolarHBondContact O-CG 3Å; N887-Q891 PolarHBondContact O-N 3.35Å; T888-Q891 PolarHBondContact O-N 3Å; Q891-K893 VanDerWaalsContact C-N 3.32Å; Q891-K893 PolarHBondContact O-N 3.41Å; Q891-L894 PolarHBondContact O-N 3.4Å; Q891-N895 WeakPolarHBondContact O-CB 3.49Å; Q891-N895 PolarHBondContact O-N 2.74Å
892Y78.2Confident74.3Confident71 Ų7179 Ų7928%0.27842%0.416SS..Hα-helixtrans-59.9-39.7173.6-83-65.9000112.8T888 I890 T896 L907 Y911T888-Y892 HydrophobicContact CG2-CD2 3.83Å; T888-Y892 HydrophobicContact CG2-CE2 3.58Å; T888-Y892 VanDerWaalsContact O-CD2 3.24Å; T888-Y892 WeakPolarHBondContact O-CD2 3.48Å; T888-Y892 PolarHBondContact O-N 2.94Å; I890-Y892 PolarHBondContact O-N 2.67Å; Y892-T896 WeakPolarHBondContact O-CB 3.45Å; Y892-T896 PolarHBondContact O-N 2.8Å; Y892-T896 PolarHBondContact O-OG1 2.78Å; Y892-L907 HydrophobicContact CE1-CD2 4.34Å; Y892-L907 VanDerWaalsContact OH-CD2 3.22Å; Y892-L907 WeakPolarHBondContact OH-CD2 3.48Å; Y892-Y911 HydrophobicContact CD2-CD2 4.31Å; Y892-Y911 HydrophobicContact CD2-CE2 4.49Å; Y892-Y911 AromaticContact CE2-CD2 3.9Å; Y892-Y911 HydrophobicContact CE2-CD2 3.9Å; Y892-Y911 AromaticContact CE2-CE2 3.66Å; Y892-Y911 HydrophobicContact CE2-CE2 3.66Å
893K80Confident72.4Confident125 Ų12580.6 Ų80.654%0.54342%0.424SS..Hα-helixtrans-65.9-42.8176.7-73166.4-174.6173.50112.3L889 I890 Q891 T896 T897L889-K893 WeakPolarHBondContact O-CD 3.02Å; L889-K893 VanDerWaalsContact O-CG 3.24Å; L889-K893 WeakPolarHBondContact O-CG 3.37Å; L889-K893 PolarHBondContact O-N 3.01Å; I890-K893 WeakPolarHBondContact O-CB 3.44Å; I890-K893 PolarHBondContact O-N 3.13Å; I890-K893 VanDerWaalsContact O-N 3.11Å; Q891-K893 VanDerWaalsContact C-N 3.32Å; Q891-K893 PolarHBondContact O-N 3.41Å; K893-T896 WeakPolarHBondContact O-CB 3.27Å; K893-T896 PolarHBondContact O-N 3.05Å; K893-T897 PolarHBondContact O-N 2.96Å
894L77.1Confident70.8Confident89 Ų8980.5 Ų80.547%0.46642%0.424SS..Hα-helixtrans-64.1-47178.1-67.5170.9000111.4I890 Q891 T896 T897I890-L894 HydrophobicContact CG2-CD1 3.94Å; I890-L894 HydrophobicContact CG2-CG 4.39Å; I890-L894 WeakPolarHBondContact O-CG 3.08Å; I890-L894 PolarHBondContact O-N 2.98Å; Q891-L894 PolarHBondContact O-N 3.4Å; L894-T896 VanDerWaalsContact C-N 3.29Å; L894-T896 PolarHBondContact O-N 3.33Å; L894-T897 PolarHBondContact O-N 3.2Å; L894-T897 VanDerWaalsContact O-N 3.07Å; L894-T897 PolarHBondContact O-OG1 3.29Å
895N68.5Low69.6Low87 Ų8784.3 Ų84.347%0.46545%0.449SS..Hα-helixtrans-63.5-35.8177.4-68.7-11.5000112Q891 T897 N898 T899Q891-N895 WeakPolarHBondContact O-CB 3.49Å; Q891-N895 PolarHBondContact O-N 2.74Å; N895-T897 PolarHBondContact O-N 3.05Å; N895-N898 PolarHBondContact O-N 3.46Å; N895-T899 PolarHBondContact O-N 3.03Å; N895-T899 PolarHBondContact O-OG1 2.77Å
896T62.6Low68.7Low69 Ų6990.1 Ų90.142%0.42348%0.478SS..Hα-helixtrans-59.9-28.3174.6-590000112.7Y892 K893 L894Y892-T896 WeakPolarHBondContact O-CB 3.45Å; Y892-T896 PolarHBondContact O-N 2.8Å; Y892-T896 PolarHBondContact O-OG1 2.78Å; K893-T896 WeakPolarHBondContact O-CB 3.27Å; K893-T896 PolarHBondContact O-N 3.05Å; L894-T896 VanDerWaalsContact C-N 3.29Å; L894-T896 PolarHBondContact O-N 3.33Å
897T57.2Low67.8Low109 Ų10988.6 Ų88.667%0.66947%0.472SS*.Hα-helixtrans-83.7-16.4179.650.50000115.5K893 L894 N895K893-T897 PolarHBondContact O-N 2.96Å; L894-T897 PolarHBondContact O-N 3.2Å; L894-T897 VanDerWaalsContact O-N 3.07Å; L894-T897 PolarHBondContact O-OG1 3.29Å; N895-T897 PolarHBondContact O-N 3.05Å
898N53.9Low67.4Low140 Ų14087.2 Ų87.275%0.74946%0.464SS*.Hα-helixtrans-106.8-13.6-173.9-82-15.4000115.1N895N895-N898 PolarHBondContact O-N 3.46Å
899T43.8Very low67.1Low74 Ų7489.1 Ų89.145%0.45447%0.473SS..  trans-140.5125.1-179.155.50000113.4N895 N901N895-T899 PolarHBondContact O-N 3.03Å; N895-T899 PolarHBondContact O-OG1 2.77Å; T899-N901 PolarHBondContact O-N 3.4Å
900N46.7Very low67Low171 Ų17190.6 Ų90.691%0.91448%0.483SS*.  trans-70.720.2178.2-76-19.5000115
901N46.6Very low67Low120 Ų12087 Ų8764%0.64246%0.464SS*.SBendtrans-116.9107.2-170.5-76.2-17.7000112.8T899 N903T899-N901 PolarHBondContact O-N 3.4Å; N901-N903 PolarHBondContact O-N 3.44Å; N901-N903 VanDerWaalsContact O-N 3.1Å
902N49Very low67.3Low154 Ų15486.3 Ų86.382%0.82446%0.459SS*.  trans45.845.5149.2-66-14.5000118.8N904N902-N904 PolarHBondContact O-N 3.41Å
903N52.4Low67.8Low64 Ų6485.3 Ų85.334%0.34246%0.46SS..  trans-59.3118.6165.2-67.2-71.4000110.3N901 P905N901-N903 PolarHBondContact O-N 3.44Å; N901-N903 VanDerWaalsContact O-N 3.1Å; N903-P905 WeakPolarHBondContact O-CD 3.24Å; N903-P905 VanDerWaalsContact O-N 3.15Å
904N60.4Low68.3Low57 Ų5779.3 Ų79.331%0.30543%0.434SS..  trans-62110179-85.5-16.8000110.6K775 N902 I906 L907 L908K775-N904 PolarHBondContact NZ-OD1 3.49Å; N902-N904 PolarHBondContact O-N 3.41Å; N904-I906 VanDerWaalsContact C-N 3.32Å; N904-I906 PolarHBondContact O-N 2.99Å; N904-L907 HydrophobicContact CB-CB 3.97Å; N904-L907 PolarHBondContact O-N 3.41Å; N904-L908 PolarHBondContact O-N 3.21Å
905P67.4Low68.9Low83 Ų8377.4 Ų77.454%0.53942%0.423SS..Hα-helixtrans-66.5-37-178.326.8-33.5000111.6N903 L907 L908 D909N903-P905 WeakPolarHBondContact O-CD 3.24Å; N903-P905 VanDerWaalsContact O-N 3.15Å; P905-L907 VanDerWaalsContact C-N 3.26Å; P905-L907 PolarHBondContact O-N 3.45Å; P905-L908 WeakPolarHBondContact O-CB 3.28Å; P905-L908 PolarHBondContact O-N 3.25Å; P905-D909 PolarHBondContact O-N 3.14Å
906I71.5Confident70Confident122 Ų12277.8 Ų77.863%0.62642%0.422SS*.Hα-helixtrans-51.8-45.5175.7-58.7169.4000111N904 D909 T910N904-I906 VanDerWaalsContact C-N 3.32Å; N904-I906 PolarHBondContact O-N 2.99Å; I906-D909 PolarHBondContact O-N 2.94Å; I906-T910 WeakPolarHBondContact O-CG2 3.32Å; I906-T910 PolarHBondContact O-N 3.46Å
907L74.1Confident71.3Confident23 Ų2374.6 Ų74.612%0.1240%0.402CS..Hα-helixtrans-69.4-43.7-176.8-170.656.3000110.8Y892 N904 P905 D909 T910 Y911Y892-L907 HydrophobicContact CE1-CD2 4.34Å; Y892-L907 VanDerWaalsContact OH-CD2 3.22Å; Y892-L907 WeakPolarHBondContact OH-CD2 3.48Å; N904-L907 HydrophobicContact CB-CB 3.97Å; N904-L907 PolarHBondContact O-N 3.41Å; P905-L907 VanDerWaalsContact C-N 3.26Å; P905-L907 PolarHBondContact O-N 3.45Å; L907-D909 VanDerWaalsContact C-N 3.26Å; L907-D909 PolarHBondContact O-N 3.24Å; L907-T910 WeakPolarHBondContact CA-OG1 3.38Å; L907-T910 PolarHBondContact O-N 2.83Å; L907-T910 PolarHBondContact O-OG1 2.81Å; L907-Y911 HydrophobicContact CD1-CD2 4.15Å; L907-Y911 HydrophobicContact CD1-CE2 3.64Å; L907-Y911 HydrophobicContact CG-CD2 4.16Å; L907-Y911 HydrophobicContact CG-CE2 3.83Å; L907-Y911 VanDerWaalsContact O-CD2 3.24Å; L907-Y911 WeakPolarHBondContact O-CD2 3.17Å; L907-Y911 PolarHBondContact O-N 3.4Å; L907-Y911 VanDerWaalsContact O-N 3.1Å
908L81.4Confident72.9Confident45 Ų4569.6 Ų69.624%0.23637%0.371CS..Hα-helixtrans-56.9-39.9172178.463.8000111.9L889 N904 P905 K912L889-L908 HydrophobicContact CD2-CD1 3.7Å; N904-L908 PolarHBondContact O-N 3.21Å; P905-L908 WeakPolarHBondContact O-CB 3.28Å; P905-L908 PolarHBondContact O-N 3.25Å; L908-K912 WeakPolarHBondContact O-CG 3.2Å; L908-K912 PolarHBondContact O-N 3.02Å
909D81.8Confident74.6Confident74 Ų7467.1 Ų67.140%0.39635%0.354SS..Hα-helixtrans-74.6-31.8179.1-67.5-28.1000113.2P905 I906 L907 K912 T913P905-D909 PolarHBondContact O-N 3.14Å; I906-D909 PolarHBondContact O-N 2.94Å; L907-D909 VanDerWaalsContact C-N 3.26Å; L907-D909 PolarHBondContact O-N 3.24Å; D909-K912 PolarHBondContact O-N 2.65Å; D909-K912 WeakPolarHBondContact OD1-CD 3.45Å; D909-K912 WeakPolarHBondContact OD1-CE 3.29Å; D909-K912 IonicContact OD1-NZ 3.46Å; D909-K912 PolarHBondContact OD1-NZ 2.92Å; D909-T913 WeakPolarHBondContact O-CB 3.41Å; D909-T913 PolarHBondContact O-N 2.84Å; D909-T913 PolarHBondContact O-OG1 3.21Å
910T84.1Confident76.7Confident35 Ų3564.3 Ų64.322%0.21534%0.336CS..Hα-helixtrans-62.9-46.4169.156.50000111.7V854 I906 L907 K912 T913 C914V854-T910 HydrophobicContact CG2-CG2 4.1Å; V854-T910 WeakPolarHBondContact CG2-O 2.99Å; I906-T910 WeakPolarHBondContact O-CG2 3.32Å; I906-T910 PolarHBondContact O-N 3.46Å; L907-T910 WeakPolarHBondContact CA-OG1 3.38Å; L907-T910 PolarHBondContact O-N 2.83Å; L907-T910 PolarHBondContact O-OG1 2.81Å; T910-K912 PolarHBondContact O-N 3.47Å; T910-T913 WeakPolarHBondContact O-CA 3.16Å; T910-T913 WeakPolarHBondContact O-CB 3.06Å; T910-T913 PolarHBondContact O-N 2.97Å; T910-C914 PolarHBondContact O-N 2.99Å; T910-C914 PolarHBondContact O-SG 2.68Å; T910-C914 VanDerWaalsContact O-SG 3.41Å
911Y88.6Confident78.6Confident7 Ų756.2 Ų56.23%0.02729%0.293CS..Hα-helixtrans-65.4-37.4176.6-75.3-71000112.8A849 R850 V885 T888 Y892 L907 T913 C914 Q915A849-Y911 WeakPolarHBondContact O-CE1 3.38Å; R850-Y911 PolarHBondContact O-OH 3Å; V885-Y911 HydrophobicContact CG1-CD1 4.37Å; V885-Y911 VanDerWaalsContact CG1-O 3.24Å; V885-Y911 WeakPolarHBondContact CG1-O 3.43Å; T888-Y911 HydrophobicContact CG2-CD1 4.01Å; T888-Y911 HydrophobicContact CG2-CD2 4.22Å; T888-Y911 HydrophobicContact CG2-CE1 3.67Å; T888-Y911 HydrophobicContact CG2-CE2 3.93Å; T888-Y911 HydrophobicContact CG2-CG 4.28Å; Y892-Y911 HydrophobicContact CD2-CD2 4.31Å; Y892-Y911 HydrophobicContact CD2-CE2 4.49Å; Y892-Y911 AromaticContact CE2-CD2 3.9Å; Y892-Y911 HydrophobicContact CE2-CD2 3.9Å; Y892-Y911 AromaticContact CE2-CE2 3.66Å; Y892-Y911 HydrophobicContact CE2-CE2 3.66Å; L907-Y911 HydrophobicContact CD1-CD2 4.15Å; L907-Y911 HydrophobicContact CD1-CE2 3.64Å; L907-Y911 HydrophobicContact CG-CD2 4.16Å; L907-Y911 HydrophobicContact CG-CE2 3.83Å; L907-Y911 VanDerWaalsContact O-CD2 3.24Å; L907-Y911 WeakPolarHBondContact O-CD2 3.17Å; L907-Y911 PolarHBondContact O-N 3.4Å; L907-Y911 VanDerWaalsContact O-N 3.1Å; Y911-T913 VanDerWaalsContact C-N 3.27Å; Y911-T913 PolarHBondContact O-N 3.31Å; Y911-C914 PolarHBondContact O-N 2.77Å; Y911-Q915 WeakPolarHBondContact O-CB 3.14Å; Y911-Q915 PolarHBondContact O-N 3.45Å
912K88.5Confident80.5Confident93 Ų9353.2 Ų53.240%0.40428%0.277SS..Hα-helixtrans-58.7-39.5169.1-72171.7-167.4155.50111.9L889 L908 D909 T910 Q915 H916L889-K912 HydrophobicContact CD2-CG 4.36Å; L908-K912 WeakPolarHBondContact O-CG 3.2Å; L908-K912 PolarHBondContact O-N 3.02Å; D909-K912 PolarHBondContact O-N 2.65Å; D909-K912 WeakPolarHBondContact OD1-CD 3.45Å; D909-K912 WeakPolarHBondContact OD1-CE 3.29Å; D909-K912 IonicContact OD1-NZ 3.46Å; D909-K912 PolarHBondContact OD1-NZ 2.92Å; T910-K912 PolarHBondContact O-N 3.47Å; K912-Q915 WeakPolarHBondContact O-CB 3.33Å; K912-Q915 PolarHBondContact O-N 2.9Å; K912-H916 PolarHBondContact O-N 3.4Å
913T88.3Confident82.2Confident50 Ų5050.1 Ų50.131%0.30726%0.256SS..Hα-helixtrans-67.3-44.3179.3-54.60000111V854 D909 T910 Y911 Q915 H916 I917V854-T913 HydrophobicContact CG1-CG2 3.7Å; V854-T913 HydrophobicContact CG2-CG2 4.41Å; D909-T913 WeakPolarHBondContact O-CB 3.41Å; D909-T913 PolarHBondContact O-N 2.84Å; D909-T913 PolarHBondContact O-OG1 3.21Å; T910-T913 WeakPolarHBondContact O-CA 3.16Å; T910-T913 WeakPolarHBondContact O-CB 3.06Å; T910-T913 PolarHBondContact O-N 2.97Å; Y911-T913 VanDerWaalsContact C-N 3.27Å; Y911-T913 PolarHBondContact O-N 3.31Å; T913-Q915 VanDerWaalsContact C-N 3.34Å; T913-Q915 PolarHBondContact O-N 2.74Å; T913-H916 PolarHBondContact O-N 3.47Å; T913-I917 HydrophobicContact CG2-CD1 4Å; T913-I917 WeakPolarHBondContact O-CG1 3.33Å; T913-I917 PolarHBondContact O-N 3.12Å
914C89.5Confident83.6Confident0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-56.6-46.7170.6-640000111.6L857 V885 T910 Y911 H916 I917 L918L857-C914 HydrophobicContact CD1-CB 3.88Å; V885-C914 HydrophobicContact CG1-CB 4.15Å; V885-C914 HydrophobicContact CG2-CB 3.95Å; T910-C914 PolarHBondContact O-N 2.99Å; T910-C914 PolarHBondContact O-SG 2.68Å; T910-C914 VanDerWaalsContact O-SG 3.41Å; Y911-C914 PolarHBondContact O-N 2.77Å; C914-H916 VanDerWaalsContact C-N 3.33Å; C914-H916 PolarHBondContact O-N 2.84Å; C914-I917 PolarHBondContact O-N 2.7Å; C914-L918 WeakPolarHBondContact O-CB 3.41Å; C914-L918 WeakPolarHBondContact O-CG 3.44Å; C914-L918 PolarHBondContact O-N 3.07Å
915Q91.7Very high84.6Confident48 Ų4844.6 Ų44.622%0.22423%0.227CC..Hα-helixtrans-59.2-42.8178.6-167.3-168.428.800111.7L882 V885 E886 L889 Y911 K912 T913 K919L882-Q915 HydrophobicContact CD1-CG 4.31Å; V885-Q915 HydrophobicContact CG1-CB 3.81Å; V885-Q915 HydrophobicContact CG1-CG 4.5Å; E886-Q915 WeakPolarHBondContact OE1-CG 3.49Å; E886-Q915 PolarHBondContact OE1-NE2 2.78Å; L889-Q915 HydrophobicContact CD1-CB 3.92Å; L889-Q915 VanDerWaalsContact CD1-CD 3.5Å; L889-Q915 HydrophobicContact CD1-CG 4.08Å; Y911-Q915 WeakPolarHBondContact O-CB 3.14Å; Y911-Q915 PolarHBondContact O-N 3.45Å; K912-Q915 WeakPolarHBondContact O-CB 3.33Å; K912-Q915 PolarHBondContact O-N 2.9Å; T913-Q915 VanDerWaalsContact C-N 3.34Å; T913-Q915 PolarHBondContact O-N 2.74Å; Q915-K919 HydrophobicContact CG-CD 4.22Å; Q915-K919 VanDerWaalsContact O-CB 3.3Å; Q915-K919 WeakPolarHBondContact O-CB 3.33Å; Q915-K919 WeakPolarHBondContact O-CG 3.35Å; Q915-K919 PolarHBondContact O-N 3.39Å
916H90.7Very high85.2Confident96 Ų9643.2 Ų43.244%0.44422%0.219SC..Hα-helixtrans-64.7-48.2178.6-173.2-111.1000112.1K912 T913 C914 K919 L920 H961K912-H916 PolarHBondContact O-N 3.4Å; T913-H916 PolarHBondContact O-N 3.47Å; C914-H916 VanDerWaalsContact C-N 3.33Å; C914-H916 PolarHBondContact O-N 2.84Å; H916-K919 PolarHBondContact O-N 3.1Å; H916-L920 VanDerWaalsContact O-CB 3.31Å; H916-L920 WeakPolarHBondContact O-CB 3.47Å; H916-L920 PolarHBondContact O-N 3.3Å; H916-H961 AromaticContact CE1-NE2 3.85Å
917I89.7Confident85.3Confident2 Ų240.1 Ų40.11%0.0120%0.204CC..Hα-helixtrans-62.4-46.9179.8-65.1163.3000110.5V854 L857 K858 T913 C914 L920 S921 L962 L966V854-I917 HydrophobicContact CG1-CD1 4.24Å; L857-I917 HydrophobicContact CD2-CB 4.1Å; L857-I917 HydrophobicContact CD2-CD1 4.48Å; L857-I917 HydrophobicContact CD2-CG2 3.68Å; K858-I917 HydrophobicContact CD-CD1 4.43Å; K858-I917 HydrophobicContact CG-CD1 3.88Å; T913-I917 HydrophobicContact CG2-CD1 4Å; T913-I917 WeakPolarHBondContact O-CG1 3.33Å; T913-I917 PolarHBondContact O-N 3.12Å; C914-I917 PolarHBondContact O-N 2.7Å; I917-L920 PolarHBondContact O-N 3.35Å; I917-S921 WeakPolarHBondContact O-CB 3.15Å; I917-S921 PolarHBondContact O-N 2.85Å; I917-S921 PolarHBondContact O-OG 3.48Å; I917-L962 HydrophobicContact CG2-CD1 4.28Å; I917-L966 HydrophobicContact CG2-CD2 4Å
918L90.7Very high85.2Confident3 Ų340.6 Ų40.62%0.01621%0.206CC..Hα-helixtrans-64.6-44.7179.1-68.9176.6000112L845 L857 V861 L871 A881 L882 V885 C914 S921 D922L845-L918 HydrophobicContact CD1-CD2 4.48Å; L857-L918 HydrophobicContact CD1-CD1 4.04Å; L857-L918 HydrophobicContact CD1-CD2 4.24Å; L857-L918 HydrophobicContact CD1-CG 4.09Å; L857-L918 HydrophobicContact CD2-CD2 4.24Å; L857-L918 HydrophobicContact CD2-CG 4.35Å; L857-L918 HydrophobicContact CG-CD2 4.43Å; V861-L918 HydrophobicContact CG2-CD2 4.39Å; L871-L918 HydrophobicContact CD2-CD2 3.64Å; A881-L918 HydrophobicContact CB-CD1 4.47Å; L882-L918 HydrophobicContact CB-CB 4.41Å; L882-L918 HydrophobicContact CB-CD1 4.27Å; L882-L918 HydrophobicContact CD1-CB 3.99Å; L882-L918 HydrophobicContact CD1-CD1 4.42Å; V885-L918 HydrophobicContact CG2-CD1 4.1Å; C914-L918 WeakPolarHBondContact O-CB 3.41Å; C914-L918 WeakPolarHBondContact O-CG 3.44Å; C914-L918 PolarHBondContact O-N 3.07Å; L918-S921 PolarHBondContact O-N 3.29Å; L918-D922 PolarHBondContact O-N 3.16Å
919K90.4Very high84.3Confident89 Ų8941 Ų4139%0.38721%0.213SC..Hα-helixtrans-66.4-37.9178.1-77.5-174169.2174.40113.3L882 E886 Q915 H916 S921 F923L882-K919 HydrophobicContact CD1-CG 3.89Å; L882-K919 HydrophobicContact CD2-CG 3.84Å; E886-K919 WeakPolarHBondContact OE1-CE 2.94Å; E886-K919 IonicContact OE1-NZ 3.98Å; E886-K919 PolarHBondContact OE1-NZ 3.04Å; E886-K919 IonicContact OE2-NZ 3.8Å; E886-K919 PolarHBondContact OE2-NZ 2.93Å; E886-K919 VanDerWaalsContact OE2-NZ 3.08Å; Q915-K919 HydrophobicContact CG-CD 4.22Å; Q915-K919 VanDerWaalsContact O-CB 3.3Å; Q915-K919 WeakPolarHBondContact O-CB 3.33Å; Q915-K919 WeakPolarHBondContact O-CG 3.35Å; Q915-K919 PolarHBondContact O-N 3.39Å; H916-K919 PolarHBondContact O-N 3.1Å; K919-S921 VanDerWaalsContact C-N 3.35Å; K919-F923 WeakPolarHBondContact O-CB 3.28Å; K919-F923 PolarHBondContact O-N 2.89Å
920L86.7Confident83Confident15 Ų1540.8 Ų40.88%0.07922%0.217CC..Hα-helixtrans-66.3-40.2175-176.359.4000111.1H916 I917 I924 Y958 L962 L965H916-L920 VanDerWaalsContact O-CB 3.31Å; H916-L920 WeakPolarHBondContact O-CB 3.47Å; H916-L920 PolarHBondContact O-N 3.3Å; I917-L920 PolarHBondContact O-N 3.35Å; L920-I924 HydrophobicContact CD1-CD1 4.15Å; L920-I924 HydrophobicContact CG-CD1 4.13Å; L920-I924 WeakPolarHBondContact O-CD1 3.4Å; L920-I924 VanDerWaalsContact O-CG1 3.32Å; L920-I924 WeakPolarHBondContact O-CG1 3.37Å; L920-I924 PolarHBondContact O-N 3.43Å; L920-I924 VanDerWaalsContact O-N 3.08Å; L920-Y958 HydrophobicContact CD1-CD1 4.01Å; L920-Y958 HydrophobicContact CD1-CG 4.44Å; L920-L962 HydrophobicContact CD2-CB 3.73Å; L920-L962 HydrophobicContact CD2-CD1 4.09Å; L920-L962 HydrophobicContact CD2-CG 4.43Å; L920-L962 HydrophobicContact CG-CB 4.03Å; L920-L962 HydrophobicContact CG-CD1 4.32Å; L920-L962 HydrophobicContact CG-CD2 4.5Å; L920-L965 HydrophobicContact CD2-CD1 3.99Å
921S86.6Confident81.2Confident1 Ų142.2 Ų42.21%0.00723%0.228CC..Hα-helixtrans-64.8-47176.9-54.30000112.5I917 L918 K919 I924 A925 L962I917-S921 WeakPolarHBondContact O-CB 3.15Å; I917-S921 PolarHBondContact O-N 2.85Å; I917-S921 PolarHBondContact O-OG 3.48Å; L918-S921 PolarHBondContact O-N 3.29Å; K919-S921 VanDerWaalsContact C-N 3.35Å; S921-I924 PolarHBondContact O-N 3.1Å; S921-A925 WeakPolarHBondContact O-CB 3.29Å; S921-A925 PolarHBondContact O-N 3.23Å; S921-L962 WeakPolarHBondContact OG-CD2 3.34Å
922D86.2Confident79.1Confident56 Ų5648 Ų4830%0.29925%0.253SS..Hα-helixtrans-68-38.2177.4178.962.4000112.5L918 I924 A925 S926L918-D922 PolarHBondContact O-N 3.16Å; D922-I924 VanDerWaalsContact C-N 3.35Å; D922-I924 PolarHBondContact O-N 2.94Å; D922-A925 PolarHBondContact O-N 3.12Å; D922-S926 VanDerWaalsContact O-CB 3.27Å; D922-S926 WeakPolarHBondContact O-CB 3.47Å; D922-S926 PolarHBondContact O-N 3.01Å; D922-S926 PolarHBondContact O-OG 3.42Å
923F84.7Confident76.8Confident90 Ų9049.2 Ų49.240%0.39527%0.268SS..Hα-helixtrans-58.6-46.7173.1176.6-98.3000111.4K919 N927 Y958K919-F923 WeakPolarHBondContact O-CB 3.28Å; K919-F923 PolarHBondContact O-N 2.89Å; F923-N927 VanDerWaalsContact CE2-ND2 3.31Å; F923-N927 WeakPolarHBondContact CE2-ND2 3.49Å; F923-N927 VanDerWaalsContact CZ-ND2 3.32Å; F923-N927 WeakPolarHBondContact CZ-ND2 3.44Å; F923-N927 PolarHBondContact O-N 3.47Å; F923-N927 PolarHBondContact O-ND2 2.98Å; F923-Y958 AromaticContact CE1-CD2 3.73Å; F923-Y958 HydrophobicContact CE1-CD2 3.73Å; F923-Y958 AromaticContact CE1-CE2 3.89Å; F923-Y958 HydrophobicContact CE1-CE2 3.89Å; F923-Y958 HydrophobicContact CE1-CG 4.3Å; F923-Y958 HydrophobicContact CZ-CE2 4.38Å
924I83.2Confident74.3Confident1 Ų152 Ų521%0.00528%0.282CS..Hα-helixtrans-64-44.4176.3-69.7161.2000110.4I866 L920 S921 D922 S926 N927 I928 L962I866-I924 HydrophobicContact CG2-CG2 3.81Å; L920-I924 HydrophobicContact CD1-CD1 4.15Å; L920-I924 HydrophobicContact CG-CD1 4.13Å; L920-I924 WeakPolarHBondContact O-CD1 3.4Å; L920-I924 VanDerWaalsContact O-CG1 3.32Å; L920-I924 WeakPolarHBondContact O-CG1 3.37Å; L920-I924 PolarHBondContact O-N 3.43Å; L920-I924 VanDerWaalsContact O-N 3.08Å; S921-I924 PolarHBondContact O-N 3.1Å; D922-I924 VanDerWaalsContact C-N 3.35Å; D922-I924 PolarHBondContact O-N 2.94Å; I924-S926 PolarHBondContact O-N 3.01Å; I924-N927 PolarHBondContact O-N 3.39Å; I924-I928 HydrophobicContact CG2-CD1 3.65Å; I924-I928 HydrophobicContact CG2-CG1 4.38Å; I924-I928 WeakPolarHBondContact O-CG1 3.47Å; I924-I928 PolarHBondContact O-N 3.04Å; I924-L962 HydrophobicContact CD1-CB 3.94Å; I924-L962 HydrophobicContact CD1-CD2 3.66Å; I924-L962 HydrophobicContact CD1-CG 4.47Å
925A81Confident71.8Confident4 Ų455 Ų553%0.03330%0.302CS..Hα-helixtrans-63.8-39.3179.700000113.3P867 S921 D922 S929P867-A925 HydrophobicContact CB-CB 3.7Å; S921-A925 WeakPolarHBondContact O-CB 3.29Å; S921-A925 PolarHBondContact O-N 3.23Å; D922-A925 PolarHBondContact O-N 3.12Å; A925-S929 VanDerWaalsContact O-CB 3.22Å; A925-S929 WeakPolarHBondContact O-CB 3.22Å; A925-S929 PolarHBondContact O-N 3.45Å; A925-S929 PolarHBondContact O-OG 3.38Å
926S79.4Confident68.9Low53 Ų5356.7 Ų56.737%0.37131%0.312SS..Hα-helixtrans-67.4-41.6176.1-72.70000112.3D922 I924 S929 S930D922-S926 VanDerWaalsContact O-CB 3.27Å; D922-S926 WeakPolarHBondContact O-CB 3.47Å; D922-S926 PolarHBondContact O-N 3.01Å; D922-S926 PolarHBondContact O-OG 3.42Å; I924-S926 PolarHBondContact O-N 3.01Å; S926-S929 PolarHBondContact O-N 3.01Å; S926-S930 PolarHBondContact O-N 3.48Å
927N75.1Confident66.5Low57 Ų5756.5 Ų56.531%0.30531%0.313SS..Hα-helixtrans-68.4-42.5175.6-79-83.7000112.3F923 I924 S929 S930 C931 L955F923-N927 VanDerWaalsContact CE2-ND2 3.31Å; F923-N927 WeakPolarHBondContact CE2-ND2 3.49Å; F923-N927 VanDerWaalsContact CZ-ND2 3.32Å; F923-N927 WeakPolarHBondContact CZ-ND2 3.44Å; F923-N927 PolarHBondContact O-N 3.47Å; F923-N927 PolarHBondContact O-ND2 2.98Å; I924-N927 PolarHBondContact O-N 3.39Å; N927-S929 VanDerWaalsContact C-N 3.25Å; N927-S929 PolarHBondContact O-N 3.42Å; N927-S930 PolarHBondContact O-N 3.21Å; N927-S930 PolarHBondContact O-OG 2.79Å; N927-C931 PolarHBondContact O-N 2.87Å; N927-C931 VanDerWaalsContact O-N 3.09Å; N927-C931 PolarHBondContact O-SG 2.68Å; N927-L955 HydrophobicContact CB-CD1 3.85Å
928I71.7Confident64Low33 Ų3358.4 Ų58.417%0.16933%0.325CS..Hα-helixtrans-62.2-38.1174-67170.7000110.2P867 I924 C931 K932 L955P867-I928 HydrophobicContact CG-CB 4.49Å; P867-I928 HydrophobicContact CG-CD1 4.49Å; P867-I928 HydrophobicContact CG-CG2 3.99Å; I924-I928 HydrophobicContact CG2-CD1 3.65Å; I924-I928 HydrophobicContact CG2-CG1 4.38Å; I924-I928 WeakPolarHBondContact O-CG1 3.47Å; I924-I928 PolarHBondContact O-N 3.04Å; I928-C931 PolarHBondContact O-N 3.42Å; I928-K932 PolarHBondContact O-N 3.38Å; I928-K932 VanDerWaalsContact O-N 3.15Å; I928-L955 HydrophobicContact CG1-CD2 4.26Å
929S61.6Low61.5Low53 Ų5362.9 Ų62.937%0.37135%0.349SS..Hα-helixtrans-72.2-30.2179.7-59.40000113.8A925 S926 N927 K932A925-S929 VanDerWaalsContact O-CB 3.22Å; A925-S929 WeakPolarHBondContact O-CB 3.22Å; A925-S929 PolarHBondContact O-N 3.45Å; A925-S929 PolarHBondContact O-OG 3.38Å; S926-S929 PolarHBondContact O-N 3.01Å; N927-S929 VanDerWaalsContact C-N 3.25Å; N927-S929 PolarHBondContact O-N 3.42Å; S929-K932 PolarHBondContact O-N 3.16Å
930S53.8Low59.3Low71 Ų7161.7 Ų61.750%0.49735%0.352SS..Hα-helixtrans-73.1-3317170.20000112.2S926 N927 K932 T933S926-S930 PolarHBondContact O-N 3.48Å; N927-S930 PolarHBondContact O-N 3.21Å; N927-S930 PolarHBondContact O-OG 2.79Å; S930-K932 VanDerWaalsContact C-N 3.31Å; S930-K932 PolarHBondContact O-N 3.5Å; S930-T933 PolarHBondContact O-N 2.8Å; S930-T933 PolarHBondContact O-OG1 2.74Å
931C46.8Very low57.2Low65 Ų6563.7 Ų63.744%0.43936%0.362SS..Hα-helixtrans-64.9-29.5171.3-73.40000113.4N927 I928 T933 N934 C935N927-C931 PolarHBondContact O-N 2.87Å; N927-C931 VanDerWaalsContact O-N 3.09Å; N927-C931 PolarHBondContact O-SG 2.68Å; I928-C931 PolarHBondContact O-N 3.42Å; C931-T933 PolarHBondContact O-N 3.16Å; C931-N934 PolarHBondContact O-N 2.86Å; C931-C935 PolarHBondContact O-N 2.74Å
932K44.8Very low55Low128 Ų12867.2 Ų67.256%0.55739%0.387SS*.THydrogen-bonded Turntrans-59.7-16.3178.1-75.9177.3-178.6178.60114.5I928 S929 S930 N934I928-K932 PolarHBondContact O-N 3.38Å; I928-K932 VanDerWaalsContact O-N 3.15Å; S929-K932 PolarHBondContact O-N 3.16Å; S930-K932 VanDerWaalsContact C-N 3.31Å; S930-K932 PolarHBondContact O-N 3.5Å; K932-N934 VanDerWaalsContact C-N 3.34Å
933T39.7Very low52.8Low118 Ų11868.7 Ų68.772%0.72440%0.402SS*.THydrogen-bonded Turntrans-79.2-7.7171.310.70000115.1S930 C931S930-T933 PolarHBondContact O-N 2.8Å; S930-T933 PolarHBondContact O-OG1 2.74Å; C931-T933 PolarHBondContact O-N 3.16Å
934N36.9Very low50.5Low110 Ų11070.4 Ų70.459%0.58841%0.414SS*.THydrogen-bonded Turntrans-146.4-4.5179.8-88.6-46000115.7C931 K932C931-N934 PolarHBondContact O-N 2.86Å; K932-N934 VanDerWaalsContact C-N 3.34Å
935C36.1Very low48.3Very low63 Ų6377.5 Ų77.543%0.42645%0.445SS..  trans-147.6115.8178.8-89.60000112.6C931 I937C931-C935 PolarHBondContact O-N 2.74Å; C935-I937 HydrophobicContact CB-CD1 4.33Å; C935-I937 HydrophobicContact CB-CG1 4.17Å
936L32.1Very low46Very low82 Ų8282.1 Ų82.143%0.42948%0.477SS..  trans-96.272155.6-75.5152.4000107.8P1233 P1234L936-P1233 HydrophobicContact CD1-CB 3.8Å; L936-P1234 HydrophobicContact CB-CB 3.99Å; L936-P1234 HydrophobicContact CB-CG 4.09Å; L936-P1234 WeakPolarHBondContact CD1-O 3.39Å
937I38.5Very low43.7Very low92 Ų9287.2 Ų87.247%0.47250%0.5SS..  trans-95110.3165.9-61.5175.8000105.9C935 I941C935-I937 HydrophobicContact CB-CD1 4.33Å; C935-I937 HydrophobicContact CB-CG1 4.17Å; I937-I941 HydrophobicContact CG2-CB 4.25Å; I937-I941 HydrophobicContact CG2-CG2 4.37Å
938T38.9Very low41.9Very low42 Ų4290.2 Ų90.226%0.25852%0.515SS..  trans-65.4139.9171.4510000109.9S940 I941 S1237T938-S940 PolarHBondContact O-N 3.37Å; T938-I941 PolarHBondContact O-N 2.98Å; T938-S1237 WeakPolarHBondContact OG1-CB 3.49Å; T938-S1237 PolarHBondContact OG1-OG 3.37Å
939D36.9Very low40.5Very low97 Ų9794.5 Ų94.552%0.51954%0.538SS..THydrogen-bonded Turntrans-49.1-27.4-177.4-79-18.2000114.3I941 R959D939-I941 VanDerWaalsContact C-N 3.31Å; D939-I941 PolarHBondContact O-N 2.93Å; D939-R959 IonicContact OD1-CZ 3.24Å; D939-R959 IonicContact OD1-NH1 3.23Å; D939-R959 PolarHBondContact OD1-NH1 2.78Å; D939-R959 IonicContact OD2-CZ 2.97Å; D939-R959 VanDerWaalsContact OD2-CZ 3.25Å; D939-R959 IonicContact OD2-NH1 2.77Å; D939-R959 PolarHBondContact OD2-NH1 2.86Å; D939-R959 IonicContact OD2-NH2 3.3Å; D939-R959 PolarHBondContact OD2-NH2 3.29Å
940S45.2Very low39.6Very low64 Ų6494.4 Ų94.445%0.44855%0.546SS..THydrogen-bonded Turntrans-68-17.8177.9-43.90000115.8T938 S943T938-S940 PolarHBondContact O-N 3.37Å; S940-S943 PolarHBondContact O-OG 3.39Å
941I42.5Very low39.4Very low58 Ų5895.5 Ų95.530%0.29755%0.554SS.*THydrogen-bonded Turntrans-94.3-22.5-177.8-69.3-179.7000111.8I937 T938 D939 S943 L944 F945 S1237I937-I941 HydrophobicContact CG2-CB 4.25Å; I937-I941 HydrophobicContact CG2-CG2 4.37Å; T938-I941 PolarHBondContact O-N 2.98Å; D939-I941 VanDerWaalsContact C-N 3.31Å; D939-I941 PolarHBondContact O-N 2.93Å; I941-S943 PolarHBondContact O-N 3.12Å; I941-L944 PolarHBondContact O-N 2.94Å; I941-F945 HydrophobicContact CG2-CD2 3.82Å; I941-F945 HydrophobicContact CG2-CE2 3.91Å; I941-S1237 VanDerWaalsContact CD1-OG 3.26Å; I941-S1237 WeakPolarHBondContact CD1-OG 3.35Å
942S40.9Very low39.8Very low74 Ų7497 Ų9752%0.51756%0.556SS.*THydrogen-bonded Turntrans-65-11.8-177.7-60.50000114.7
943S39.3Very low40.5Very low88 Ų8895.6 Ų95.662%0.61556%0.555SS**THydrogen-bonded Turntrans-84.7-13.5173.954.50000114.4S940 I941S940-S943 PolarHBondContact O-OG 3.39Å; I941-S943 PolarHBondContact O-N 3.12Å
944L35.7Very low42Very low126 Ų12696.5 Ų96.566%0.6655%0.549SS*.SBendtrans-101.3-10.6-171.7-67.2171.4000114.4I941I941-L944 PolarHBondContact O-N 2.94Å
945F37.7Very low43.9Very low149 Ų14993.5 Ų93.565%0.65453%0.533SS*.  trans-133.249.2-169.6-64.9-74.6000113.6I941 N947I941-F945 HydrophobicContact CG2-CD2 3.82Å; I941-F945 HydrophobicContact CG2-CE2 3.91Å; F945-N947 PolarHBondContact O-N 3.48Å
946S31.8Very low45.7Very low101 Ų10192.9 Ų92.971%0.70653%0.529SS*.THydrogen-bonded Turntrans-70.239-172.2-40.20000116.2
947N31.9Very low48Very low160 Ų16093.3 Ų93.386%0.85654%0.535SS*.THydrogen-bonded Turntrans-153.420.2-171.4-118-29.4000116.7F945F945-N947 PolarHBondContact O-N 3.48Å
948I37.4Very low50Low120 Ų12093.8 Ų93.862%0.61553%0.532SS*.SBendtrans-134.1119.8178.4-54.2-179.4000111.1
949N42.3Very low52.1Low123 Ų12395 Ų9566%0.65853%0.531SS*.  trans66.798.1173.5-59.4-28.8000117.7S951 I952N949-S951 PolarHBondContact O-N 3.08Å; N949-I952 PolarHBondContact O-N 3.44Å
950G42.1Very low54.3Low52 Ų5295.3 Ų95.354%0.53653%0.533SS..THydrogen-bonded Turntrans-66.823.3176.100000118D953G950-D953 VanDerWaalsContact CA-OD2 3.29Å; G950-D953 WeakPolarHBondContact CA-OD2 3.45Å
951S50.9Low56.2Low94 Ų9496.5 Ų96.566%0.65753%0.531SS*.THydrogen-bonded Turntrans-90.2-21.1157.5-167.10000111.8N949N949-S951 PolarHBondContact O-N 3.08Å
952I54.2Low58.2Low96 Ų9693.7 Ų93.749%0.49252%0.517SS..Hα-helixtrans-73-42.3178.9-61.6-179.8000109.5N949 K954 L955 S956N949-I952 PolarHBondContact O-N 3.44Å; I952-K954 PolarHBondContact O-N 2.91Å; I952-K954 VanDerWaalsContact O-N 3.13Å; I952-L955 PolarHBondContact O-N 3.31Å; I952-S956 PolarHBondContact O-N 2.91Å; I952-S956 PolarHBondContact O-OG 2.93Å
953D59.7Low60.2Low99 Ų9993.3 Ų93.353%0.52951%0.509SS..Hα-helixtrans-55.5-31.9178.8-54-31.2000113.5G950 S956 T957G950-D953 VanDerWaalsContact CA-OD2 3.29Å; G950-D953 WeakPolarHBondContact CA-OD2 3.45Å; D953-S956 WeakPolarHBondContact CA-OG 3.37Å; D953-S956 PolarHBondContact O-OG 3.48Å; D953-T957 VanDerWaalsContact O-CB 3.32Å; D953-T957 WeakPolarHBondContact O-CB 3.33Å; D953-T957 PolarHBondContact O-N 2.84Å; D953-T957 PolarHBondContact O-OG1 3.23Å
954K71.5Confident62.3Low137 Ų13793.3 Ų93.360%0.59650%0.499SS*.Hα-helixtrans-71.5-42.6175.7-67-174.4179.3-179.80111.5I952 T957 Y958I952-K954 PolarHBondContact O-N 2.91Å; I952-K954 VanDerWaalsContact O-N 3.13Å; K954-T957 PolarHBondContact O-N 2.9Å; K954-Y958 HydrophobicContact CB-CE2 4.34Å; K954-Y958 WeakPolarHBondContact O-CD2 3.17Å; K954-Y958 PolarHBondContact O-N 3.26Å
955L75.6Confident64.6Low47 Ų4789.7 Ų89.725%0.24648%0.48CS..Hα-helixtrans-69-38.7-179.6-17065.3000111.6N927 I928 I952 Y958 R959N927-L955 HydrophobicContact CB-CD1 3.85Å; I928-L955 HydrophobicContact CG1-CD2 4.26Å; I952-L955 PolarHBondContact O-N 3.31Å; L955-Y958 PolarHBondContact O-N 2.9Å; L955-R959 WeakPolarHBondContact O-CB 3.39Å; L955-R959 PolarHBondContact O-N 2.76Å
956S74.5Confident66.7Low50 Ų5082.8 Ų82.835%0.3545%0.45SS..Hα-helixtrans-64.7-41.9171.958.70000111.7I952 D953 Y958 R959 N960I952-S956 PolarHBondContact O-N 2.91Å; I952-S956 PolarHBondContact O-OG 2.93Å; D953-S956 WeakPolarHBondContact CA-OG 3.37Å; D953-S956 PolarHBondContact O-OG 3.48Å; S956-Y958 PolarHBondContact O-N 3.4Å; S956-R959 PolarHBondContact O-N 2.82Å; S956-N960 WeakPolarHBondContact O-CB 3.41Å; S956-N960 PolarHBondContact O-N 3.26Å; S956-N960 PolarHBondContact O-OD1 3.35Å
957T80.6Confident69Low90 Ų9079.6 Ų79.655%0.55243%0.425SS*.Hα-helixtrans-58.1-47173.8-59.60000112D953 K954 N960 H961D953-T957 VanDerWaalsContact O-CB 3.32Å; D953-T957 WeakPolarHBondContact O-CB 3.33Å; D953-T957 PolarHBondContact O-N 2.84Å; D953-T957 PolarHBondContact O-OG1 3.23Å; K954-T957 PolarHBondContact O-N 2.9Å; T957-N960 PolarHBondContact O-N 3.06Å; T957-H961 WeakPolarHBondContact O-CB 3.38Å; T957-H961 PolarHBondContact O-N 3.12Å
958Y81.3Confident71.1Confident103 Ų10376.1 Ų76.140%0.40440%0.403SS..Hα-helixtrans-64.7-40.1176.5-70.8-58.2000112.6L920 F923 K954 L955 S956 H961 L962L920-Y958 HydrophobicContact CD1-CD1 4.01Å; L920-Y958 HydrophobicContact CD1-CG 4.44Å; F923-Y958 AromaticContact CE1-CD2 3.73Å; F923-Y958 HydrophobicContact CE1-CD2 3.73Å; F923-Y958 AromaticContact CE1-CE2 3.89Å; F923-Y958 HydrophobicContact CE1-CE2 3.89Å; F923-Y958 HydrophobicContact CE1-CG 4.3Å; F923-Y958 HydrophobicContact CZ-CE2 4.38Å; K954-Y958 HydrophobicContact CB-CE2 4.34Å; K954-Y958 WeakPolarHBondContact O-CD2 3.17Å; K954-Y958 PolarHBondContact O-N 3.26Å; L955-Y958 PolarHBondContact O-N 2.9Å; S956-Y958 PolarHBondContact O-N 3.4Å; Y958-H961 PolarHBondContact O-N 2.92Å; Y958-L962 PolarHBondContact O-N 2.93Å
959R82.9Confident72.7Confident66 Ų6670.9 Ų70.925%0.24938%0.376CS..Hα-helixtrans-63.1-44.7176.6-175.3172.5-180162.5-2111.7D939 L955 S956 L962 I963D939-R959 IonicContact OD1-CZ 3.24Å; D939-R959 IonicContact OD1-NH1 3.23Å; D939-R959 PolarHBondContact OD1-NH1 2.78Å; D939-R959 IonicContact OD2-CZ 2.97Å; D939-R959 VanDerWaalsContact OD2-CZ 3.25Å; D939-R959 IonicContact OD2-NH1 2.77Å; D939-R959 PolarHBondContact OD2-NH1 2.86Å; D939-R959 IonicContact OD2-NH2 3.3Å; D939-R959 PolarHBondContact OD2-NH2 3.29Å; L955-R959 WeakPolarHBondContact O-CB 3.39Å; L955-R959 PolarHBondContact O-N 2.76Å; S956-R959 PolarHBondContact O-N 2.82Å; R959-L962 PolarHBondContact O-N 3.46Å; R959-I963 HydrophobicContact CG-CD1 3.97Å; R959-I963 VanDerWaalsContact O-CG1 3.3Å; R959-I963 WeakPolarHBondContact O-CG1 3.47Å; R959-I963 PolarHBondContact O-N 3.05Å
960N82.1Confident74Confident104 Ų10469.9 Ų69.956%0.55637%0.371SS*.Hα-helixtrans-63.6-41.9176.5-67.3-4.2000111.3S956 T957 L962 I963 E964S956-N960 WeakPolarHBondContact O-CB 3.41Å; S956-N960 PolarHBondContact O-N 3.26Å; S956-N960 PolarHBondContact O-OD1 3.35Å; T957-N960 PolarHBondContact O-N 3.06Å; N960-L962 PolarHBondContact O-N 2.92Å; N960-I963 PolarHBondContact O-N 3.33Å; N960-E964 PolarHBondContact O-N 2.7Å
961H85.4Confident75Confident89 Ų8970.4 Ų70.441%0.41237%0.366SS..Hα-helixtrans-63.1-39.4175.7-176.249.5000112.8H916 T957 Y958 L965H916-H961 AromaticContact CE1-NE2 3.85Å; T957-H961 WeakPolarHBondContact O-CB 3.38Å; T957-H961 PolarHBondContact O-N 3.12Å; Y958-H961 PolarHBondContact O-N 2.92Å; H961-L965 WeakPolarHBondContact O-CG 3.26Å; H961-L965 PolarHBondContact O-N 2.76Å; H961-L965 VanDerWaalsContact O-N 3.08Å
962L84.9Confident75.5Confident0 Ų066.8 Ų66.80%034%0.34CS..Hα-helixtrans-66.1-44.2174.4-179.755.8000111.8I866 I917 L920 S921 I924 Y958 R959 N960 E964 L965 L966I866-L962 HydrophobicContact CD1-CD2 3.62Å; I866-L962 HydrophobicContact CD1-CG 4.06Å; I866-L962 HydrophobicContact CG1-CD2 4.45Å; I917-L962 HydrophobicContact CG2-CD1 4.28Å; L920-L962 HydrophobicContact CD2-CB 3.73Å; L920-L962 HydrophobicContact CD2-CD1 4.09Å; L920-L962 HydrophobicContact CD2-CG 4.43Å; L920-L962 HydrophobicContact CG-CB 4.03Å; L920-L962 HydrophobicContact CG-CD1 4.32Å; L920-L962 HydrophobicContact CG-CD2 4.5Å; S921-L962 WeakPolarHBondContact OG-CD2 3.34Å; I924-L962 HydrophobicContact CD1-CB 3.94Å; I924-L962 HydrophobicContact CD1-CD2 3.66Å; I924-L962 HydrophobicContact CD1-CG 4.47Å; Y958-L962 PolarHBondContact O-N 2.93Å; R959-L962 PolarHBondContact O-N 3.46Å; N960-L962 PolarHBondContact O-N 2.92Å; L962-E964 VanDerWaalsContact C-N 3.3Å; L962-E964 PolarHBondContact O-N 2.95Å; L962-L965 PolarHBondContact O-N 2.98Å; L962-L966 HydrophobicContact CD1-CD1 4.1Å; L962-L966 HydrophobicContact CD1-CD2 4.44Å; L962-L966 HydrophobicContact CD1-CG 4.03Å; L962-L966 HydrophobicContact CG-CD1 3.99Å; L962-L966 HydrophobicContact CG-CG 4.37Å; L962-L966 VanDerWaalsContact O-CG 3.29Å; L962-L966 WeakPolarHBondContact O-CG 3.42Å; L962-L966 PolarHBondContact O-N 2.89Å
963I83.2Confident75.6Confident66 Ų6666 Ų6634%0.33834%0.337SS..Hα-helixtrans-57.6-44.6176.9-71.2164.9000110.5R959 N960 L965 L966 N967R959-I963 HydrophobicContact CG-CD1 3.97Å; R959-I963 VanDerWaalsContact O-CG1 3.3Å; R959-I963 WeakPolarHBondContact O-CG1 3.47Å; R959-I963 PolarHBondContact O-N 3.05Å; N960-I963 PolarHBondContact O-N 3.33Å; I963-L965 PolarHBondContact O-N 2.78Å; I963-L966 PolarHBondContact O-N 3.39Å; I963-N967 WeakPolarHBondContact CG2-ND2 3.17Å; I963-N967 VanDerWaalsContact O-CB 3.31Å; I963-N967 WeakPolarHBondContact O-CB 3.46Å; I963-N967 VanDerWaalsContact O-CG 3.28Å; I963-N967 PolarHBondContact O-N 2.87Å
964E82.6Confident75.4Confident88 Ų8862.2 Ų62.241%0.41132%0.315SS..Hα-helixtrans-63-42.8177-170.557.1-152.900112.5N960 L962 L966 N967 Q968N960-E964 PolarHBondContact O-N 2.7Å; L962-E964 VanDerWaalsContact C-N 3.3Å; L962-E964 PolarHBondContact O-N 2.95Å; E964-L966 VanDerWaalsContact C-N 3.3Å; E964-L966 PolarHBondContact O-N 3.4Å; E964-N967 PolarHBondContact O-N 3.44Å; E964-Q968 PolarHBondContact O-N 2.64Å; E964-Q968 PolarHBondContact OE1-NE2 2.86Å
965L83Confident74Confident49 Ų4960.3 Ų60.326%0.25732%0.318SS..Hα-helixtrans-64.7-29.9176.3-73.9173.9000113.7K858 L920 H961 L962 I963K858-L965 WeakPolarHBondContact CD-O 3.1Å; K858-L965 WeakPolarHBondContact CE-O 3.48Å; K858-L965 PolarHBondContact NZ-O 2.72Å; L920-L965 HydrophobicContact CD2-CD1 3.99Å; H961-L965 WeakPolarHBondContact O-CG 3.26Å; H961-L965 PolarHBondContact O-N 2.76Å; H961-L965 VanDerWaalsContact O-N 3.08Å; L962-L965 PolarHBondContact O-N 2.98Å; I963-L965 PolarHBondContact O-N 2.78Å
966L83.8Confident72.1Confident5 Ų564.6 Ų64.63%0.02634%0.337CS..Hα-helixtrans-80.2-34.6175.3-65.2173000111.8K858 V861 I866 I917 L962 I963 E964 Q968K858-L966 HydrophobicContact CB-CD2 3.92Å; K858-L966 HydrophobicContact CG-CD2 4.04Å; V861-L966 HydrophobicContact CB-CD2 4.28Å; V861-L966 HydrophobicContact CG1-CD1 4.23Å; V861-L966 HydrophobicContact CG1-CD2 4.16Å; I866-L966 HydrophobicContact CD1-CD1 3.94Å; I917-L966 HydrophobicContact CG2-CD2 4Å; L962-L966 HydrophobicContact CD1-CD1 4.1Å; L962-L966 HydrophobicContact CD1-CD2 4.44Å; L962-L966 HydrophobicContact CD1-CG 4.03Å; L962-L966 HydrophobicContact CG-CD1 3.99Å; L962-L966 HydrophobicContact CG-CG 4.37Å; L962-L966 VanDerWaalsContact O-CG 3.29Å; L962-L966 WeakPolarHBondContact O-CG 3.42Å; L962-L966 PolarHBondContact O-N 2.89Å; I963-L966 PolarHBondContact O-N 3.39Å; E964-L966 VanDerWaalsContact C-N 3.3Å; E964-L966 PolarHBondContact O-N 3.4Å; L966-Q968 PolarHBondContact O-N 3.32Å
967N79.7Confident70Confident33 Ų3366.6 Ų66.618%0.17634%0.343CS..Hα-helixtrans-73.3-21.3-176.7-82.8-13000115.2S609 T610 N611 I963 E964S609-N967 PolarHBondContact OG-OD1 3.47Å; T610-N967 PolarHBondContact N-O 3.34Å; T610-N967 VanDerWaalsContact N-O 3.07Å; T610-N967 PolarHBondContact OG1-O 3.34Å; N611-N967 PolarHBondContact ND2-OD1 2.79Å; I963-N967 WeakPolarHBondContact CG2-ND2 3.17Å; I963-N967 VanDerWaalsContact O-CB 3.31Å; I963-N967 WeakPolarHBondContact O-CB 3.46Å; I963-N967 VanDerWaalsContact O-CG 3.28Å; I963-N967 PolarHBondContact O-N 2.87Å; E964-N967 PolarHBondContact O-N 3.44Å
968Q74.7Confident67.5Low88 Ų8869.8 Ų69.841%0.41136%0.357SS..SBendtrans-96.7114.1173.5-60-172.712.200110.2T610 K858 E964 L966T610-Q968 WeakPolarHBondContact OG1-CA 3.47Å; K858-Q968 PolarHBondContact NZ-O 2.89Å; E964-Q968 PolarHBondContact O-N 2.64Å; E964-Q968 PolarHBondContact OE1-NE2 2.86Å; L966-Q968 PolarHBondContact O-N 3.32Å
969L71.5Confident64.9Low9 Ų971.1 Ų71.15%0.04738%0.375CS..  trans-90.5128.1172-63177.8000110.1T610 N611 L614 L819 D855 K858 L859 S971 I972T610-L969 PolarHBondContact OG1-N 3.3Å; N611-L969 HydrophobicContact CB-CD1 4.11Å; N611-L969 HydrophobicContact CB-CG 4.34Å; L614-L969 HydrophobicContact CB-CD1 4.45Å; L614-L969 HydrophobicContact CD2-CD1 4.07Å; L819-L969 HydrophobicContact CD2-CD1 4.16Å; D855-L969 HydrophobicContact CB-CD2 4.04Å; K858-L969 HydrophobicContact CB-CD2 4.27Å; K858-L969 HydrophobicContact CD-CD2 4.19Å; L859-L969 HydrophobicContact CD2-CD1 4.24Å; L859-L969 HydrophobicContact CD2-CD2 4.04Å; L859-L969 HydrophobicContact CG-CD2 4.2Å; L969-S971 VanDerWaalsContact C-N 3.34Å; L969-S971 PolarHBondContact O-N 2.9Å; L969-I972 HydrophobicContact CB-CD1 3.93Å; L969-I972 HydrophobicContact CB-CG1 4.08Å; L969-I972 HydrophobicContact CD1-CD1 3.66Å; L969-I972 HydrophobicContact CG-CD1 4.41Å
970N69Low62.2Low103 Ų10372.9 Ų72.955%0.55140%0.398SS*.THydrogen-bonded Turntrans-71.8-27.3-170.7-67.71.2000113.1D855 K858D855-N970 VanDerWaalsContact CG-N 3.28Å; D855-N970 PolarHBondContact OD1-N 2.97Å; D855-N970 PolarHBondContact OD2-N 3.14Å; K858-N970 PolarHBondContact NZ-OD1 2.84Å
971S64.2Low59.6Low62 Ų6273.6 Ų73.643%0.43441%0.411SS..THydrogen-bonded Turntrans-83.3-8.2-176.253.90000114.7D855 L969D855-S971 VanDerWaalsContact OD2-CB 3.24Å; D855-S971 WeakPolarHBondContact OD2-CB 3.24Å; D855-S971 PolarHBondContact OD2-N 2.91Å; D855-S971 PolarHBondContact OD2-OG 3.31Å; L969-S971 VanDerWaalsContact C-N 3.34Å; L969-S971 PolarHBondContact O-N 2.9Å
972I61.6Low56.9Low18 Ų1875.4 Ų75.49%0.09243%0.429CS..  trans-101.992.4-176.4-46.4179.4000110.5L614 L969 W974L614-I972 HydrophobicContact CB-CD1 4.4Å; L614-I972 HydrophobicContact CD1-CD1 3.9Å; L969-I972 HydrophobicContact CB-CD1 3.93Å; L969-I972 HydrophobicContact CB-CG1 4.08Å; L969-I972 HydrophobicContact CD1-CD1 3.66Å; L969-I972 HydrophobicContact CG-CD1 4.41Å; I972-W974 HydrophobicContact CG2-CD2 4.15Å; I972-W974 HydrophobicContact CG2-CG 4.49Å; I972-W974 HydrophobicContact CG2-CH2 4.45Å; I972-W974 HydrophobicContact CG2-CZ2 3.7Å; I972-W974 PolarHBondContact O-N 3.18Å
973N55.3Low54.3Low81 Ų8180.9 Ų80.943%0.43347%0.467SS..  trans-78.6112.8168.2-170.90.5000110.1C975 Q976N973-C975 PolarHBondContact OD1-N 2.93Å; N973-Q976 VanDerWaalsContact ND2-CD 3.3Å; N973-Q976 WeakPolarHBondContact ND2-CG 3.04Å; N973-Q976 PolarHBondContact ND2-OE1 2.89Å
974W56.7Low51.7Low18 Ų1882.9 Ų82.97%0.06849%0.487CS..SBendtrans-81.4-14.2177.8-64.690.8000113.4P544 L553 T610 L613 R617 I972P544-W974 HydrophobicContact CB-CB 4.24Å; P544-W974 HydrophobicContact CG-CB 3.97Å; P544-W974 HydrophobicContact CG-CD2 4.45Å; P544-W974 HydrophobicContact CG-CG 3.9Å; L553-W974 HydrophobicContact CD2-CZ3 4.49Å; T610-W974 HydrophobicContact CG2-CZ2 4.5Å; L613-W974 HydrophobicContact CB-CH2 3.76Å; L613-W974 HydrophobicContact CB-CZ2 4.09Å; L613-W974 HydrophobicContact CD1-CH2 4.29Å; R617-W974 VanDerWaalsContact NH1-CE3 3.31Å; I972-W974 HydrophobicContact CG2-CD2 4.15Å; I972-W974 HydrophobicContact CG2-CG 4.49Å; I972-W974 HydrophobicContact CG2-CH2 4.45Å; I972-W974 HydrophobicContact CG2-CZ2 3.7Å; I972-W974 PolarHBondContact O-N 3.18Å
975C40.6Very low49.3Very low97 Ų9784.1 Ų84.166%0.65551%0.505SS*.SBendtrans-99.213.4-168.3-56.30000114.5N973N973-C975 PolarHBondContact OD1-N 2.93Å
976Q36.3Very low46.7Very low138 Ų13887.4 Ų87.465%0.64553%0.532SS*.  trans-119.393179-80.1-179.2-34.600111.7N973N973-Q976 VanDerWaalsContact ND2-CD 3.3Å; N973-Q976 WeakPolarHBondContact ND2-CG 3.04Å; N973-Q976 PolarHBondContact ND2-OE1 2.89Å
977L31.6Very low44.3Very low91 Ų9192.7 Ų92.748%0.47657%0.57SS.*  trans-131.240.9171-103.5166.9000110.8T979L977-T979 PolarHBondContact O-N 3.27Å
978N26.6Very low42Very low158 Ų15897.6 Ų97.685%0.84560%0.601SS**  trans-76.5103.4173-7820.8000110S980N978-S980 PolarHBondContact O-N 3.23Å
979T26.4Very low39.9Very low130 Ų13098 Ų9880%0.79861%0.613SS**  trans-78.394.3178.350.10000112.2L977L977-T979 PolarHBondContact O-N 3.27Å
980S26.9Very low38Very low103 Ų103103.2 Ų103.272%0.7265%0.646SS**  trans-167.2101.8158.9380000113.9N978N978-S980 PolarHBondContact O-N 3.23Å
981S28.3Very low36.2Very low120 Ų120103.9 Ų103.984%0.83965%0.654SS**  trans-139.347.3157.652.80000110.7S983S981-S983 VanDerWaalsContact C-N 3.33Å; S981-S983 PolarHBondContact O-N 3.32Å
982T27.6Very low34.7Very low127 Ų127106.6 Ų106.678%0.77967%0.668SS**  trans-66.787.4172.46.70000110.3S984T982-S984 PolarHBondContact O-N 2.78Å
983S30.1Very low33.3Very low115 Ų115111.5 Ų111.580%0.80470%0.699SS**  trans-73.571.917442.50000111.3S981 S985S981-S983 VanDerWaalsContact C-N 3.33Å; S981-S983 PolarHBondContact O-N 3.32Å; S983-S985 VanDerWaalsContact C-N 3.31Å; S983-S985 PolarHBondContact O-N 2.61Å
984S28.2Very low32Very low107 Ų107112.3 Ų112.375%0.74871%0.711SS**  trans-70.977.717948.30000112.8T982 S986T982-S984 PolarHBondContact O-N 2.78Å; S984-S986 PolarHBondContact O-N 3.01Å
985S32.7Very low30.9Very low114 Ų114118.3 Ų118.380%0.79775%0.749SS**  trans-72.6105.8168.153.70000110.5S983S983-S985 VanDerWaalsContact C-N 3.31Å; S983-S985 PolarHBondContact O-N 2.61Å
986S29.5Very low30.3Very low118 Ų118119.4 Ų119.483%0.82575%0.754SS**  trans-87.4121-175.445.30000112.8S984S984-S986 PolarHBondContact O-N 3.01Å
987S32.6Very low30Very low117 Ų117118.1 Ų118.182%0.81876%0.755SS**  trans-14385.1165.549.80000111.8
988T32.1Very low29.9Very low135 Ų135119.4 Ų119.483%0.82877%0.767SS**  trans-21.4123.4159.8-41.70000115.8
989S31Very low29.9Very low96 Ų96118.2 Ų118.267%0.67177%0.765SS**  174.5121.9103.659.60000115.8
990T31Very low30.1Very low120 Ų120117.9 Ų117.974%0.73676%0.763SS**  trans63.2129.6138.552.90000123.9
991T30.7Very low30.2Very low117 Ų117121.2 Ų121.272%0.71877%0.767SS**  trans89.6103.2135.245.60000122.6
992T31.9Very low30.1Very low119 Ų119120.7 Ų120.773%0.7376%0.764SS**  96.6111.9121.848.40000122.8
993T32.4Very low30.3Very low121 Ų121121.4 Ų121.474%0.74276%0.761SS**  trans68.791.113357.70000121.3
994S29.2Very low30.3Very low98 Ų98122.2 Ų122.269%0.68576%0.757SS**  27.9129110.963.70000120.5
995T32.5Very low30.4Very low143 Ų143123.4 Ų123.488%0.87775%0.754SS**  -163.5176.9100.926.30000112.2
996T29.3Very low30.4Very low121 Ų121126.6 Ų126.674%0.74276%0.757SS**  trans-99174.6-159.349.30000115.8
997T30.1Very low30.3Very low111 Ų111129.5 Ų129.568%0.68176%0.755SS**  trans79.4102.8142.534.50000121.9
998T28.4Very low30.3Very low117 Ų117132.4 Ų132.472%0.71876%0.759SS**  70.5132.2126.152.80000124.1
999T28.1Very low30Very low133 Ų133130.5 Ų130.582%0.81675%0.747SS**  trans77.9153.1146.448.10000122.2
1000V30.2Very low29.9Very low124 Ų124134 Ų13475%0.75276%0.755SS**  trans91.6104.5165-167.50000119.1
1001Q28.8Very low29.7Very low173 Ų173133 Ų13381%0.80875%0.749SS**  trans23.1121.7137-61174-28.700122.5
1002S26.5Very low29.8Very low109 Ų109133.6 Ų133.676%0.76275%0.753SS**  72.6166.2124.8-57.10000122.6
1003I30.6Very low29.6Very low142 Ų142135.3 Ų135.373%0.72876%0.757SS**  trans92.7102160.4-53.5-178.5000117.7
1004N31.7Very low29.5Very low132 Ų132134.4 Ų134.471%0.70676%0.756SS**  trans64.2164.6145.3-62.4-2.4000119.3
1005N29.1Very low29.4Very low131 Ų131137.2 Ų137.270%0.70176%0.763SS**  cis-162.2178.6-34-102.7-21.9000108.3
1006E33Very low29.3Very low182 Ų182135.8 Ų135.885%0.8575%0.753SS**  trans76.5115.3163.2-43.4-153.5125.700116
1007K27.8Very low29.3Very low179 Ų179135.9 Ų135.978%0.77875%0.754SS**  cis87.786.736.5-169.9-166.7179.1-173.90113.4
1008I31.1Very low29.1Very low177 Ų177135.4 Ų135.491%0.90876%0.761SS**  trans-122.9135.8153.1-63.4-177.5000108.2
1009T26.7Very low29.2Very low95 Ų95135.7 Ų135.758%0.58377%0.768SS**  trans-121.1142.5-175.5-44.50000109.3
1010M29.2Very low29.3Very low171 Ų171135.7 Ų135.784%0.84277%0.768SS**  trans178.1114.1150.2-86.8-48.1164.200105.1
1011T27.4Very low29.5Very low98 Ų98135.6 Ų135.660%0.60177%0.77SS**  60.5141.65264.80000116.2
1012T32.1Very low29.4Very low129 Ų129134.2 Ų134.279%0.79177%0.768SS**  trans76.6155.6-178.973.80000116.1
1013N28.4Very low29.7Very low156 Ų156137.2 Ų137.283%0.83477%0.774SS**  cis-177.8165.7-45.4-107.8-3.1000107.5
1014S30.3Very low29.7Very low102 Ų102135.5 Ų135.571%0.71377%0.77SS**  trans73.6131.3175-152.20000114.7
1015L25.6Very low29.6Very low157 Ų157136 Ų13682%0.82277%0.772SS**  cis81.213930.2-151.3165.4000112.4
1016V30.9Very low29.6Very low112 Ų112135.9 Ų135.968%0.67978%0.777SS**  trans107.490.4173.8-173.10000117
1017T28.7Very low29.5Very low124 Ų124132.4 Ų132.476%0.76177%0.769SS**  trans19126.7139.5550000123.8
1018A26.4Very low29.7Very low100 Ų100131.5 Ų131.583%0.82677%0.771SS**  53.1123.9122.100000123.2
1019S31.6Very low29.5Very low123 Ų123129.1 Ų129.186%0.8677%0.766SS**  trans-162.8129.7140.556.80000113.2
1020T29.1Very low29.8Very low134 Ų134132.1 Ų132.182%0.82278%0.778SS**  trans-78.2161.1169.570000111.7
1021P35Very low29.7Very low121 Ų121132 Ų13279%0.78677%0.773SS**  -152.9175.390.440.6-21.3000117.4
1022N27.2Very low29.8Very low144 Ų144135.8 Ų135.877%0.7779%0.788SS**  trans-62.1162.5171-52.1-51.3000113.4
1023I32.8Very low29.5Very low172 Ų172135.8 Ų135.888%0.88278%0.779SS**  -160.8147.8125.1-103.3154.2000112.8
1024T30.4Very low29.4Very low106 Ų106135.6 Ų135.665%0.6578%0.777SS**  trans-80.8156.3-159.352.20000118.6
1025N28.2Very low29.2Very low142 Ų142135.8 Ų135.876%0.75978%0.778SS**  88.1129.4128.8-79.5-0.2000124.7
1026V30.1Very low29.2Very low130 Ų130137.2 Ų137.279%0.78878%0.78SS**  trans88.5140.8132.3165.90000118.5
1027P30.9Very low29.1Very low108 Ų108139.3 Ų139.370%0.70179%0.788SS**  trans-114.7172.5-152.941.5-29.9000115.1
1028I31.8Very low29Very low160 Ų160139.6 Ų139.682%0.82178%0.784SS**  trans-126.7117165.8-60.9179.1000109.3
1029T27.2Very low29.2Very low128 Ų128142.5 Ų142.579%0.78579%0.786SS**  trans-90.7130.217052.20000110.5
1030N32.3Very low29Very low158 Ų158142.3 Ų142.385%0.84578%0.776SS**  trans-119.3114.8161.7-93-24.7000109.8
1031K28.1Very low28.9Very low167 Ų167147.4 Ų147.473%0.72678%0.782SS**  trans-70.2138.9163.5-95.1-171163.7-1580109.2E1033K1031-E1033 IonicContact NZ-OE1 2.67Å; K1031-E1033 PolarHBondContact NZ-OE1 3.35Å
1032L28.8Very low28.5Very low178 Ų178149.2 Ų149.293%0.93278%0.779SS**  trans-147137.5139.5-110.8163.6000108.4
1033E25.8Very low28.4Very low129 Ų129150.7 Ų150.760%0.60379%0.786SS**  trans-101.8174.7-162.7-63.2170.2163.900111.7K1031K1031-E1033 IonicContact NZ-OE1 2.67Å; K1031-E1033 PolarHBondContact NZ-OE1 3.35Å
1034I27.2Very low28.2Very low153 Ų153145.3 Ų145.379%0.78577%0.773SS**  trans108.4136156.3-58.3153.1000117.3
1035S26.1Very low27.9Very low106 Ų106146.9 Ų146.974%0.74178%0.783SS**  trans60.791.9169530000118.9
1036H25.9Very low27.9Very low187 Ų187149.1 Ų149.187%0.86679%0.786SS**  trans-64.7143.2143.1-74.8-79.1000109.7
1037N27.9Very low27.6Very low156 Ų156148.3 Ų148.383%0.83479%0.786SS**  trans-143126.4157.3-148.65.9000109.7
1038N26.1Very low27.5Very low129 Ų129150.4 Ų150.469%0.6979%0.791SS**PPolyproline II helixtrans-90.2119.4-176.8-74.7-24.9000110
1039N30.2Very low27.3Very low161 Ų161147.4 Ų147.486%0.86178%0.784SS**PPolyproline II helixtrans-95.5119.8164.1-82.4-14.6000109.8
1040N27.5Very low27.5Very low120 Ų120146.8 Ų146.864%0.64278%0.782SS**PPolyproline II helixtrans-82.6134.7-173.7-58.3-56.1000111.9Q1042N1040-Q1042 VanDerWaalsContact C-N 3.33Å; N1040-Q1042 HydrophobicContact CB-CB 3.94Å; N1040-Q1042 PolarHBondContact O-N 2.89Å
1041Y28.4Very low27.2Very low241 Ų241146.5 Ų146.595%0.94578%0.779SS**  trans-85.283.5148.2-80.7-73.5000108.8
1042Q25.6Very low27.1Very low158 Ų158145.8 Ų145.874%0.73878%0.78SS**  trans-95.1106.5-178.3-176.1173.2500110.2N1040N1040-Q1042 VanDerWaalsContact C-N 3.33Å; N1040-Q1042 HydrophobicContact CB-CB 3.94Å; N1040-Q1042 PolarHBondContact O-N 2.89Å
1043L26.1Very low27.1Very low175 Ų175147.3 Ų147.392%0.91678%0.779SS**  trans-132.6104.9173.3-148.778.9000112.2
1044G26.9Very low27.1Very low59 Ų59145.6 Ų145.661%0.60878%0.78SS**  trans72.749.8148.700000119.4F1046G1044-F1046 PolarHBondContact O-N 2.67Å; G1044-F1046 VanDerWaalsContact O-N 3.14Å
1045T25.5Very low27.1Very low139 Ų139143.9 Ų143.985%0.85378%0.777SS**  trans-72100.516250.80000111.1
1046F26.7Very low27.2Very low189 Ų189145.9 Ų145.983%0.82978%0.779SS**  trans-112.5109.1169.4-82.9-75.5000112.1G1044G1044-F1046 PolarHBondContact O-N 2.67Å; G1044-F1046 VanDerWaalsContact O-N 3.14Å
1047S25.1Very low27.2Very low113 Ų113145.8 Ų145.879%0.7978%0.779SS**  trans-90.9112.9168.5160.30000109.4
1048L28.2Very low27Very low153 Ų153145.3 Ų145.380%0.80178%0.776SS**  trans-142.177.1175-110.2169.8000113.4
1049S27.9Very low27.1Very low97 Ų97147.7 Ų147.768%0.67879%0.787SS**  trans-77.2148.7146.1610000109.4
1050P31.2Very low27Very low115 Ų115144.9 Ų144.975%0.74778%0.78SS**  cis-143.482.110.237.6-14.6000114.5
1051I25.8Very low27.1Very low152 Ų152145.1 Ų145.178%0.77979%0.786SS**  trans-127.487.4175.6-50.8-178.8000112.4
1052M27.2Very low27.4Very low152 Ų152144.9 Ų144.975%0.74978%0.783SS**  trans-152.525.1145.4-151.952.6174.300113.8C1054 V1055M1052-C1054 VanDerWaalsContact C-N 3.29Å; M1052-C1054 PolarHBondContact O-N 2.99Å; M1052-V1055 HydrophobicContact CE-CG2 3.8Å
1053K28.1Very low27.7Very low209 Ų209144.4 Ų144.491%0.90979%0.786SS**  trans-90.453.4166.7-77.6-172.6173.6-179.70111
1054C26.2Very low28.1Very low93 Ų93141.2 Ų141.263%0.62878%0.776SS**  trans-153.943.3179.1-107.90000114.7M1052M1052-C1054 VanDerWaalsContact C-N 3.29Å; M1052-C1054 PolarHBondContact O-N 2.99Å
1055V27Very low28Very low118 Ų118143.4 Ų143.472%0.71578%0.781SS**SBendtrans-115.948.1160.9-1650000109.9M1052M1052-V1055 HydrophobicContact CE-CG2 3.8Å
1056N27.5Very low28.3Very low147 Ų147144.9 Ų144.979%0.78678%0.778SS**SBendtrans-151.3122.7164.9-93.7-46.8000105.6
1057Q26.1Very low28.4Very low185 Ų185140.2 Ų140.286%0.86477%0.768SS**SBendtrans60.198.6-179.2-58.5177.1-20.400116.4
1058L24.4Very low28.7Very low147 Ų147145.1 Ų145.177%0.7777%0.771SS**  trans-171.365.3134.1-105.3169.2000113
1059I27.8Very low28.8Very low178 Ų178143.8 Ų143.891%0.91377%0.77SS**SBendtrans-127.378.5151.6-56.8-178.3000107.5
1060S27.7Very low29.1Very low102 Ų102144.8 Ų144.871%0.71377%0.774SS**  trans-175.1112.3159.5-176.70000110.4
1061T30.1Very low28.8Very low126 Ų126148.3 Ų148.377%0.77378%0.777SS**  trans-169.199.8150.6330000110.4
1062R33.3Very low28.9Very low236 Ų236148.8 Ų148.889%0.89178%0.776SS**  trans161.8120.6155-93.2175.6179.9-176.70.9105.1
1063N32.5Very low28.8Very low147 Ų147147.9 Ų147.979%0.78677%0.774SS**SBendcis-132.4173.315-89.4-20.6000112.4
1064P34.5Very low28.8Very low109 Ų109142.7 Ų142.771%0.70877%0.765SS**  trans-111.8166.2-150.641.7-36.2000116.2
1065C26Very low28.8Very low105 Ų105143.9 Ų143.971%0.70977%0.769SS**  -172.7146108-1000000114
1066E31.2Very low28.7Very low169 Ų169145 Ų14579%0.7977%0.766SS**  trans45.1110.7146.8-62.9175162.400119.5
1067S28Very low28.6Very low91 Ų91145.7 Ų145.764%0.63676%0.763SS**  71.8138.268.3800000113.3
1068Y31.6Very low28.5Very low217 Ų217145 Ų14585%0.85176%0.759SS**  cis-140.6-167.533.6-108.3-86.6000115.2
1069T29.8Very low28.6Very low125 Ų125144.4 Ų144.477%0.76776%0.756SS**  trans-101.1169-159.340.90000116.7
1070P34.3Very low28.5Very low118 Ų118142.1 Ų142.177%0.76675%0.75SS**  trans-111.4171.6-159.441.8-36.2000116.2
1071K25.6Very low28.4Very low189 Ų189145.8 Ų145.882%0.82275%0.753SS**  trans-174.1143.9139.8-108.3167.3-172.1176.70115.6
1072Q27.5Very low28.5Very low161 Ų161146.9 Ų146.975%0.75276%0.755SS**  trans63.6140.5144.9-79.6179.7-38.200123.6
1073N25.8Very low28.3Very low133 Ų133143.1 Ų143.171%0.71175%0.747SS**  trans84.1137.5145.5-67.4-6.4000122.5
1074S26.9Very low28.2Very low101 Ų101142.7 Ų142.771%0.70675%0.745SS**  trans70.4131.6143.553.10000121.8
1075T27.1Very low28Very low117 Ų117143.1 Ų143.172%0.71874%0.74SS**  trans60.4105.8141.152.60000120.5
1076E24.4Very low28.2Very low141 Ų141146.1 Ų146.166%0.65974%0.741SS**  81.9111.3108.3-163.2173.3-17200120.2
1077K25.6Very low28.2Very low163 Ų163143.2 Ų143.271%0.70974%0.735SS**  trans68130.6149.7-70.8169.9-172.4154.90120.5
1078Q24Very low28.3Very low171 Ų171150.6 Ų150.680%0.79975%0.749SS**  trans83.5155.6136.4-102.9178.2-55.900120.5
1079I26.1Very low28.2Very low134 Ų134143.4 Ų143.469%0.68774%0.74SS**  trans77.3106.8164.5-63.6152.1000115.7F1081I1079-F1081 HydrophobicContact CG2-CD2 3.75Å; I1079-F1081 HydrophobicContact CG2-CE2 3.9Å
1080T25.9Very low28.3Very low130 Ų130144.1 Ų144.180%0.79874%0.74SS**  trans-62.4145.415746.60000111.7
1081F25.9Very low28.1Very low179 Ų179145.6 Ų145.679%0.78574%0.741SS**  trans-145126.1149-101-78000110.9I1079I1079-F1081 HydrophobicContact CG2-CD2 3.75Å; I1079-F1081 HydrophobicContact CG2-CE2 3.9Å
1082D32.3Very low28.4Very low149 Ų149140.7 Ų140.780%0.79774%0.736SS**  trans-79.3144.4151.5-69.1-67.6000108.3
1083E29.5Very low28.6Very low156 Ų156139.5 Ų139.573%0.72974%0.74SS**  trans-148105.8159-116.7177-176.200111.3
1084N31.1Very low29.1Very low139 Ų139138.7 Ų138.774%0.74374%0.742SS**  45.4177.5110.8-54.3-52.2000118.1
1085I30.2Very low29.6Very low117 Ų117138.8 Ų138.860%0.674%0.74SS**  cis-152.2175.716.7-39153000109.2
1086F29.6Very low29.8Very low169 Ų169139 Ų13974%0.74174%0.741SS**  trans82.6127.7159.4-64-67.9000118.4
1087T31Very low30Very low108 Ų108136.6 Ų136.666%0.66374%0.74SS**  cis-163.3161.8-16.7-8.60000112.8
1088R29.5Very low30.1Very low246 Ų246135.1 Ų135.193%0.92874%0.74SS**  trans63.5136.5155.7-75.9176.3166.4175.5-4.8117.4
1089G30.6Very low30.5Very low65 Ų65136.3 Ų136.367%0.6774%0.742SS**  cis161166.3-10.200000114.8
1090N31.6Very low30.9Very low141 Ų141135.2 Ų135.275%0.75474%0.744SS**  trans74.6111.3161.9-63.22.3000119.9
1091N29.2Very low31.1Very low149 Ų149135 Ų13580%0.79774%0.742SS**  67.3128.4124.3-50.6-11.2000117.9
1092A33.2Very low31.3Very low85 Ų85137.4 Ų137.470%0.70275%0.746SS**  cis-174134.231.900000112.3
1093T32Very low31.3Very low137 Ų137134.4 Ų134.484%0.8474%0.737SS**  trans31158131.443.40000124.7
1094P35.7Very low31.4Very low116 Ų116137.8 Ų137.875%0.75374%0.744SS**  trans-127.2-131.9-151.343.6-23.3000111.4
1095P37.9Very low31.4Very low103 Ų103135.5 Ų135.567%0.66974%0.739SS**  cis-129.9-166-37.440.9-24.1000113.7
1096V30.2Very low31.6Very low122 Ų122137.7 Ų137.774%0.73975%0.747SS**  trans72.2119.2150167.60000120.9
1097S28Very low31.7Very low90 Ų90137.5 Ų137.563%0.62975%0.748SS**  trans58.1128153.775.90000119.2
1098N29Very low31.7Very low132 Ų132137.4 Ų137.471%0.70675%0.752SS**  -176.9132.263.2-99.7-60.8000112.4
1099K31.2Very low32.1Very low195 Ų195131.7 Ų131.785%0.84875%0.747SS**  trans61.6174.1153.2-78.1179.2179.8176.30116
1100P34.4Very low32.1Very low112 Ų112133.1 Ų133.173%0.72775%0.746SS**  trans-87.3174.8-16138.8-36.7000112
1101T31Very low32.2Very low125 Ų125133.3 Ų133.377%0.76775%0.746SS**  -171.5125.484.6-610000112.9
1102R30.6Very low32.3Very low230 Ų230134.5 Ų134.587%0.86875%0.746SS**  trans74.2133.6158.3-137.4-178.6-175.3171.8-0.9120.9
1103S31Very low32.3Very low85 Ų85139.4 Ų139.459%0.59475%0.748SS**  trans67.4123.9141.5460000124.1
1104Y31.8Very low32.4Very low228 Ų228136.1 Ų136.189%0.89474%0.742SS**  trans49.7144.3137.3-68.8-99.8000120.2
1105S32Very low32.3Very low91 Ų91137 Ų13764%0.63675%0.75SS**  cis-171.8160.7-2.746.50000114.1
1106Q33.2Very low32.1Very low163 Ų163136 Ų13676%0.76275%0.751SS**  trans77.7131.2147.6-87.5-179.2-13.900124.2
1107H33Very low32.3Very low164 Ų164138.2 Ų138.276%0.75976%0.758SS**  trans77.2165.3148.4-64.9-54.2000123.2
1108S30.7Very low32.6Very low107 Ų107138 Ų13875%0.74876%0.761SS**  trans-123.9-167-149.6-41.90000111.6
1109P37.4Very low33Very low126 Ų126138.2 Ų138.282%0.81877%0.767SS**  cis-140.3-167.3-240.8-19.3000116.8
1110S31.7Very low33.1Very low94 Ų94136.6 Ų136.666%0.65777%0.767SS**  trans102.697.8142-163.90000124.4
1111I32.9Very low33.5Very low146 Ų146136.3 Ų136.375%0.74977%0.765SS**  77.7137.6125.3-65.2174.3000124.4
1112H32.4Very low33.8Very low173 Ų173141 Ų14180%0.80177%0.769SS**  trans92.8173.7158.5-85.2-46.7000123.2
1113Y32.8Very low34.2Very low188 Ų188137.9 Ų137.974%0.73776%0.762SS**  trans-127.2154.7-132.8-106.9-113.7000116.8
1114G33Very low34.6Very low69 Ų69143.4 Ų143.471%0.71178%0.775SS**  trans128129.413400000122.7
1115S33.3Very low34.9Very low134 Ų134136.2 Ų136.294%0.93777%0.77SS**  trans61.3160.1154.9-86.90000121
1116A34.6Very low35.3Very low83 Ų83138 Ų13869%0.68678%0.78SS**  cis-156.9173.5-11.900000109
1117L33.9Very low35.4Very low168 Ų168134.9 Ų134.988%0.8878%0.781SS**  170.6155.484.7-113.1168.7000114.7
1118A35.7Very low35.7Very low85 Ų85133.3 Ų133.370%0.70279%0.786SS**  trans67.1148.5154.400000120.7
1119T37.1Very low35.8Very low136 Ų136139.4 Ų139.483%0.83479%0.793SS**  cis-147.5176.39.5-24.70000113.7
1120L33.1Very low35.9Very low161 Ų161138.7 Ų138.784%0.84379%0.788SS**  trans-103.5-165.5-165.8-65.4164.2000113.4
1121P41.7Very low36.4Very low106 Ų106140 Ų14069%0.68879%0.794SS**  cis-151.6151.75.740.5-17000122.8
1122R37.4Very low36.4Very low224 Ų224138.3 Ų138.385%0.84580%0.795SS**  trans70.5160.3138-72.6174.7167.2172.6-3.5120.7
1123K39.8Very low36.7Very low165 Ų165136.8 Ų136.872%0.71780%0.798SS**  cis-164.3140.615.9-135.9167.7-176.8179.40116.2
1124K38.8Very low36.6Very low201 Ų201135 Ų13587%0.87480%0.801SS**  trans65135143.6-85.3-176.3171.9-162.50126.4
1125G37.8Very low36.6Very low76 Ų76138.4 Ų138.478%0.78480%0.803SS**  trans145.9120.2143.600000119.4
1126P40.3Very low36.4Very low129 Ų129140 Ų14084%0.83880%0.796SS**  trans-142.1160.1-172.142.6-25.8000122
1127A37Very low36.4Very low97 Ų97144.9 Ų144.980%0.80281%0.807SS**  trans67.2166.2149.400000120.8
1128P37.5Very low36.2Very low132 Ų132144.2 Ų144.286%0.85780%0.804SS**  cis-137.4-15811.145.3-24.8000118.2
1129R34.5Very low36.2Very low234 Ų234146.2 Ų146.288%0.88381%0.807SS**  trans-101.5-165.4177.3-120.5-169-75.1-149.3-4.7110.9
1130P39.3Very low36Very low111 Ų111151 Ų15172%0.72181%0.81SS**  cis-118.8-140.4-7.939.1-17.5000110.2
1131P41.2Very low36.1Very low122 Ų122147.4 Ų147.479%0.79281%0.812SS**  cis-131.6-151.8-16.942.6-22.2000114.2
1132S34.2Very low35.6Very low110 Ų110146.2 Ų146.277%0.76982%0.819SS**  trans-151.3141.9171.257.80000112.4
1133V37.1Very low35.2Very low142 Ų142144.1 Ų144.186%0.86182%0.821SS**  trans-160156.8161.4-114.50000111.6
1134D30.9Very low35Very low150 Ų150141.9 Ų141.980%0.80282%0.823SS**  trans-74.1159.1177.2-43.4-99.3000113.3
1135D33.4Very low34.5Very low141 Ų141136.6 Ų136.675%0.75481%0.812SS**  -167.3176.8101.3-138.8-32.1000112.4
1136Q30.2Very low34.1Very low166 Ų166139.7 Ų139.778%0.77681%0.81SS**  trans-84.6152.9-168-58.7150.369.200114.2
1137M33.6Very low33.4Very low186 Ų186138.2 Ų138.292%0.91680%0.803SS**  -175.7152.2108.7-97.8-171.5-172.500114.7
1138N30.4Very low33.1Very low154 Ų154140.5 Ų140.582%0.82481%0.807SS**  trans-45.5152.6176.5-79.8-62000116.9
1139V34.9Very low32.7Very low128 Ų128137.1 Ų137.178%0.77680%0.796SS**  -168.5126108141.30000113.5
1140R34Very low32.5Very low236 Ų236134.5 Ų134.589%0.89179%0.792SS**  trans40.8107.9154.4-61.1177.7174.1-163.6-3.1120.8
1141G33.3Very low32.2Very low85 Ų85139.6 Ų139.688%0.87680%0.796SS**  104.1141.688.700000119.7
1142G32Very low31.7Very low81 Ų81137.8 Ų137.884%0.83579%0.787SS**  trans103.999.1156.700000117.2
1143M28.3Very low31.6Very low180 Ų180137.5 Ų137.589%0.88778%0.78SS**  trans-78.1161.5151.3-127.5-168175.700108.8
1144P35.7Very low31.4Very low118 Ų118139.5 Ų139.577%0.76678%0.778SS**  -146.6-162.762.442.3-21.9000115.4
1145S28.6Very low31.5Very low91 Ų91137.8 Ų137.864%0.63677%0.769SS**  trans-79.2175.5-175.752.10000116.6
1146N29.1Very low31.3Very low140 Ų140142 Ų14275%0.74977%0.774SS**  trans92.498156-68.4-4000121.2
1147S26.8Very low31.2Very low98 Ų98141.3 Ų141.369%0.68578%0.775SS**  79.3158.2118.177.70000121.5
1148T31Very low30.9Very low145 Ų145139 Ų13989%0.8977%0.766SS**  trans69.7144.4-178.6750000115.1
1149G29.4Very low30.9Very low61 Ų61138.7 Ų138.763%0.62977%0.765SS**  cis171.4-178.9-5.800000112.1
1150F29.5Very low30.7Very low180 Ų180137 Ų13779%0.78976%0.759SS**  trans67.1143.8173.9-73-95.6000117.4
1151W31.9Very low30.6Very low217 Ų217136.9 Ų136.982%0.82276%0.758SS**  cis-124.9134.90.6-70.779.3000108.5
1152S31.7Very low30.5Very low84 Ų84138.7 Ų138.759%0.58775%0.753SS**  41.1133.884.559.70000114.8
1153T33Very low30.3Very low104 Ų104140 Ų14064%0.63875%0.749SS**  cis-158.5156.346.2-31.40000107.3
1154F31.3Very low30.1Very low184 Ų184137 Ų13781%0.80775%0.745SS**SBendcis-130.6134.330.7-106.5-101.4000114.5
1155N33.1Very low29.9Very low114 Ų114136.5 Ų136.561%0.6174%0.743SS**  trans28.3121.6145.2-52.5-8.9000119.8
1156R28.8Very low30Very low230 Ų230137 Ų13787%0.86875%0.747SS**  cis65109.747.7-63.3-173.2167.3-162.4-0.9115.4
1157L29Very low30.2Very low151 Ų151137.2 Ų137.279%0.79175%0.747SS**  -163.4156.7104.4-111.965.1000104.9
1158D28.1Very low30.4Very low137 Ų137138.7 Ų138.773%0.73375%0.747SS**  cis-145169.49.8-106.7-49.2000110.2
1159N30.6Very low30.7Very low148 Ų148139.4 Ų139.479%0.79174%0.74SS**  trans-159.8130.1144.8-135.6-30.4000116
1160S30.5Very low30.8Very low94 Ų94142.7 Ų142.766%0.65774%0.739SS**  trans51.5110.3155.167.40000120.4
1161R30.9Very low31.1Very low233 Ų233142.6 Ų142.688%0.87974%0.738SS**  -167.6147.5113.3-107.3172.9-175.3-166.20.2113.9
1162T30.8Very low31.2Very low123 Ų123137 Ų13776%0.75573%0.732SS**  trans61.8119.715647.50000121.3
1163S28.7Very low31.5Very low109 Ų109140.5 Ų140.576%0.76274%0.743SS**  trans64.696.8140.359.50000121.7
1164C24.6Very low31.8Very low117 Ų117139.9 Ų139.979%0.79174%0.741SS**  69.2127.5112.3-149.70000121.1
1165S30.9Very low32Very low106 Ų106140.2 Ų140.274%0.74174%0.742SS**  trans67.5150.116170.90000118.2
1166S30.2Very low32.6Very low103 Ų103139.4 Ų139.472%0.7274%0.738SS**  cis-171.1168.4-21-92.70000109
1167I34Very low33.4Very low143 Ų143135.7 Ų135.773%0.73373%0.73SS**  trans77.298159.2-64.7146.4000117.8
1168D31.4Very low34.4Very low129 Ų129134.4 Ų134.469%0.6972%0.723SS**  49.4118.1121-38.2-35000122
1169H36.2Very low35.3Very low161 Ų161131.9 Ų131.975%0.74571%0.709SS**  -174.4149.594.1-107.7-93.3000114
1170E31.6Very low36.4Very low130 Ų130129.2 Ų129.261%0.60769%0.694SS**  trans-5.3136.4159-57.6166.387.200118.9
1171K35.7Very low37.3Very low178 Ų178130.1 Ų130.177%0.77469%0.69SS**  -168.9-174.257.1-124.1135.9-164.9148.60112.5
1172S34Very low38.3Very low99 Ų99123 Ų12369%0.69267%0.669SS**  trans-133.8176.3-156.558.60000116.8
1173L37.7Very low39.4Very low157 Ų157121.9 Ų121.982%0.82266%0.659SS**  trans80.9156.1171.8-90.673000117.3
1174P40.7Very low40.6Very low92 Ų92122.2 Ų122.260%0.59766%0.656SS**  cis-123.3-168.9-0.432.5-11.1000114.9D1176P1174-D1176 WeakPolarHBondContact CB-OD1 3.4Å; P1174-D1176 WeakPolarHBondContact CB-OD2 3.37Å; P1174-D1176 VanDerWaalsContact CG-OD2 3.3Å; P1174-D1176 WeakPolarHBondContact CG-OD2 3.37Å
1175K35Very low41.6Very low190 Ų190123.2 Ų123.283%0.82665%0.653SS**  trans-127.733.6-166.2-83-170175.7-176.90113.7H1177K1175-H1177 PolarHBondContact O-N 3.03Å
1176D45.5Very low42.6Very low97 Ų97125.2 Ų125.252%0.51965%0.65SS.*THydrogen-bonded Turntrans-91.354.5-149.8-46.7-21000114.5P1174 I1180P1174-D1176 WeakPolarHBondContact CB-OD1 3.4Å; P1174-D1176 WeakPolarHBondContact CB-OD2 3.37Å; P1174-D1176 VanDerWaalsContact CG-OD2 3.3Å; P1174-D1176 WeakPolarHBondContact CG-OD2 3.37Å; D1176-I1180 WeakPolarHBondContact O-CD1 3.4Å
1177H44.9Very low43Very low152 Ų152128.7 Ų128.770%0.70466%0.655SS**THydrogen-bonded Turntrans-139.1-10.5-178.6-109.3-55.9000117.1K1175K1175-H1177 PolarHBondContact O-N 3.03Å
1178I50.4Low43.4Very low124 Ų124130.6 Ų130.664%0.63666%0.658SS**SBendtrans-94-41.1169.3-69.5175000109.5I1180 I1181 L1182I1178-I1180 VanDerWaalsContact C-N 3.27Å; I1178-I1180 PolarHBondContact O-N 3.29Å; I1178-I1181 WeakPolarHBondContact O-CB 3.28Å; I1178-I1181 PolarHBondContact O-N 2.97Å; I1178-L1182 HydrophobicContact CG2-CD1 4.2Å; I1178-L1182 PolarHBondContact O-N 2.77Å
1179D47.1Very low43.7Very low85 Ų85130.5 Ų130.546%0.45567%0.665SS.*Hα-helixtrans-60-36.9-179.8-51.3-21.3000111.5I1181 L1182 D1183D1179-I1181 PolarHBondContact O-N 3.17Å; D1179-I1181 VanDerWaalsContact O-N 3.1Å; D1179-L1182 CarbonylContact O-C 3.58Å; D1179-L1182 WeakPolarHBondContact O-CA 3.47Å; D1179-L1182 PolarHBondContact O-N 2.93Å; D1179-D1183 PolarHBondContact O-N 2.88Å
1180I53.7Low43.7Very low91 Ų91130 Ų13047%0.46767%0.666SS.*Hα-helixtrans-56.9-27.6172.8-62.9-179.5000113.1D1176 I1178 V1184D1176-I1180 WeakPolarHBondContact O-CD1 3.4Å; I1178-I1180 VanDerWaalsContact C-N 3.27Å; I1178-I1180 PolarHBondContact O-N 3.29Å; I1180-V1184 WeakPolarHBondContact O-CG2 3.35Å
1181I49.6Very low43.6Very low113 Ų113131.8 Ų131.858%0.57968%0.678SS**Hα-helixtrans-87.7-23.3178.3-61.4177.1000111.1I1178 D1179 L1185I1178-I1181 WeakPolarHBondContact O-CB 3.28Å; I1178-I1181 PolarHBondContact O-N 2.97Å; D1179-I1181 PolarHBondContact O-N 3.17Å; D1179-I1181 VanDerWaalsContact O-N 3.1Å; I1181-L1185 WeakPolarHBondContact O-CD1 3.35Å; I1181-L1185 WeakPolarHBondContact O-CG 3.38Å
1182L51.9Low43.5Very low84 Ų84128.2 Ų128.244%0.4468%0.675SS.*Hα-helixtrans-84.8-43.6175.9-64.8172.3000111.5I1178 D1179 V1184 L1185 E1186I1178-L1182 HydrophobicContact CG2-CD1 4.2Å; I1178-L1182 PolarHBondContact O-N 2.77Å; D1179-L1182 CarbonylContact O-C 3.58Å; D1179-L1182 WeakPolarHBondContact O-CA 3.47Å; D1179-L1182 PolarHBondContact O-N 2.93Å; L1182-V1184 PolarHBondContact O-N 3.25Å; L1182-L1185 CarbonylContact O-C 3.53Å; L1182-L1185 WeakPolarHBondContact O-CA 3.36Å; L1182-L1185 PolarHBondContact O-N 3.2Å; L1182-E1186 WeakPolarHBondContact O-CG 3.27Å; L1182-E1186 PolarHBondContact O-N 3.02Å
1183D52.8Low43.4Very low99 Ų99132.1 Ų132.153%0.52968%0.683SS.*Hα-helixtrans-52.3-43.9173.6-72.8-27.6000111.5D1179 L1185 E1186 E1187D1179-D1183 PolarHBondContact O-N 2.88Å; D1183-L1185 PolarHBondContact O-N 3.24Å; D1183-E1186 PolarHBondContact O-N 3.27Å; D1183-E1187 PolarHBondContact O-N 3.04Å
1184V54.5Low43Very low116 Ų116129.6 Ų129.670%0.70368%0.678SS**Hα-helixtrans-68.9-11.9178.4171.50000113.3I1180 L1182I1180-V1184 WeakPolarHBondContact O-CG2 3.35Å; L1182-V1184 PolarHBondContact O-N 3.25Å
1185L46.2Very low42.7Very low138 Ų138132.5 Ų132.572%0.72369%0.688SS**Hα-helixtrans-108.2-15.9174.5-65.9174.4000113.4I1181 L1182 D1183I1181-L1185 WeakPolarHBondContact O-CD1 3.35Å; I1181-L1185 WeakPolarHBondContact O-CG 3.38Å; L1182-L1185 CarbonylContact O-C 3.53Å; L1182-L1185 WeakPolarHBondContact O-CA 3.36Å; L1182-L1185 PolarHBondContact O-N 3.2Å; D1183-L1185 PolarHBondContact O-N 3.24Å
1186E50.4Low42.4Very low148 Ų148129.9 Ų129.969%0.69268%0.683SS**Hα-helixtrans-100.6-12-178.9-67.5-162.4160.200114.7L1182 D1183 K1188L1182-E1186 WeakPolarHBondContact O-CG 3.27Å; L1182-E1186 PolarHBondContact O-N 3.02Å; D1183-E1186 PolarHBondContact O-N 3.27Å; E1186-K1188 PolarHBondContact O-N 3.38Å
1187E40.1Very low41.8Very low176 Ų176131.1 Ų131.182%0.82269%0.694SS**  trans-63.793.5171.3-81.8-150.1136.300112.8D1183D1183-E1187 PolarHBondContact O-N 3.04Å
1188K40.9Very low41.4Very low184 Ų184129.4 Ų129.480%0.869%0.694SS**  trans-66.2128.7166.9-67.1168.4-175.9164.70109.8E1186 I1190E1186-K1188 PolarHBondContact O-N 3.38Å; K1188-I1190 PolarHBondContact O-N 2.81Å
1189P38.1Very low40.7Very low127 Ų127130.5 Ų130.583%0.82570%0.702SS**  trans-68.1104174.527.3-33.5000110.5I1191P1189-I1191 PolarHBondContact O-N 3.44Å
1190I35.9Very low40.2Very low149 Ų149131 Ų13176%0.76471%0.71SS**  trans-70.9119.5177.7-63.5175.6000109.5K1188 S1192K1188-I1190 PolarHBondContact O-N 2.81Å; I1190-S1192 PolarHBondContact O-N 2.94Å
1191I31.3Very low39.2Very low168 Ų168134.3 Ų134.386%0.86273%0.726SS**  trans-79103.7168.9-58.9173000107.7P1189P1189-I1191 PolarHBondContact O-N 3.44Å
1192S32.6Very low38.4Very low103 Ų103134.4 Ų134.472%0.7273%0.732SS**  trans-154.4148170.5-74.20000111.6I1190I1190-S1192 PolarHBondContact O-N 2.94Å
1193E31.7Very low37.5Very low182 Ų182136 Ų13685%0.8575%0.745SS**  trans-88.5165.2-164.3-59.4167111.200114.1
1194S30.7Very low36.5Very low104 Ų104136.3 Ų136.373%0.72775%0.751SS**  trans72.4112.7158.174.80000119.2
1195L32.7Very low35.4Very low153 Ų153137.6 Ų137.680%0.80175%0.754SS**  -173.299.5102.5-97.2164.9000113
1196N29.9Very low34.7Very low134 Ų134139.2 Ų139.272%0.71776%0.755SS**  trans19.9129.5138.1-58.5-33.5000120.1
1197T33.4Very low33.6Very low124 Ų124138.7 Ų138.776%0.76176%0.762SS**  -169.211897.3190000114.6
1198T35.5Very low33.1Very low115 Ų115133.6 Ų133.671%0.70676%0.757SS**  trans58.9140.6142.859.70000121.2
1199N35.2Very low32.5Very low148 Ų148131.2 Ų131.279%0.79176%0.758SS**  cis-155.7160.2-2-110.7-15.1000112.5
1200P36.5Very low32.1Very low96 Ų96133.4 Ų133.462%0.62376%0.759SS**  trans-111.7177.3-171.742.7-35.5000115.1
1201I34.3Very low31.6Very low160 Ų160131.1 Ų131.182%0.82176%0.756SS**  trans-172.7118.3140.1-90.2144.9000105
1202T32.5Very low31.5Very low114 Ų114128 Ų12870%0.69975%0.749SS**  cis92.3150.139.7-51.30000113.4
1203V32Very low31.4Very low117 Ų117128.9 Ų128.971%0.70975%0.751SS**  trans95.766.9171-1610000118.6
1204T31.8Very low31.4Very low107 Ų107128.8 Ų128.866%0.65675%0.752SS**  41.4139.6120.166.30000124
1205N32Very low31.4Very low143 Ų143132.2 Ų132.277%0.76575%0.754SS**  trans71.2152.9140.2-69.7-26.4000118.2
1206K30.8Very low31.5Very low172 Ų172131.5 Ų131.575%0.74875%0.751SS**  cis-158.6150.411.2-135.1166.9-175.2177.50111.1
1207T27.6Very low31.5Very low137 Ų137129.7 Ų129.784%0.8475%0.749SS**  trans37.1125.3150.351.80000121.8
1208G29.6Very low31.2Very low69 Ų69128.9 Ų128.971%0.71175%0.747SS**  trans16696.5153.400000119.1
1209T27.8Very low30.9Very low134 Ų134130.1 Ų130.182%0.82275%0.748SS**  trans26.4143.3138.6260000124.1
1210M30.8Very low30.9Very low172 Ų172128.6 Ų128.685%0.84775%0.746SS**  trans78.2126.7164.9-45-113.785.200114.2
1211S26Very low30.5Very low101 Ų101132 Ų13271%0.70676%0.757SS**  cis98.8148.130.9-167.50000113.8
1212S28.6Very low30.2Very low102 Ų102129.8 Ų129.871%0.71375%0.751SS**  trans65123.5-170.170.80000115.1
1213T29.9Very low29.8Very low122 Ų122130 Ų13075%0.74875%0.753SS**  cis99.6109.42565.70000115.8
1214M32.6Very low29.6Very low180 Ų180129 Ų12989%0.88775%0.751SS**  -163.3127.6128.1-98.2175.7-172.200106.2
1215K31.1Very low29.3Very low176 Ų176128.1 Ų128.177%0.76575%0.749SS**  64.3129.854.8-60.6-171.9175.5-176.70111.2
1216N33Very low29.2Very low139 Ų139127.9 Ų127.974%0.74375%0.747SS**  cis-128.1148.235.6-59.8-46.2000110.8
1217S29.9Very low29Very low95 Ų95126.3 Ų126.366%0.66475%0.747SS**  58.2130.256.276.90000113.1
1218C28Very low29.1Very low107 Ų107126.4 Ų126.472%0.72375%0.747SS**  -163.5173.952.7-73.80000110.5
1219I29Very low29.2Very low142 Ų142125.4 Ų125.473%0.72873%0.729SS**  cis-162.5151.2-17.3-103.8165.6000107.2
1220P35.9Very low29.6Very low116 Ų116122.7 Ų122.775%0.75371%0.714SS**  trans-91.9159.8-177.936.5-37000115.1
1221I28.1Very low29.6Very low166 Ų166116.5 Ų116.585%0.85169%0.69SS**  trans-139146.4165-62.2-176.5000110.1
1222T26.3Very low30Very low114 Ų114114.1 Ų114.170%0.69967%0.669SS**  trans-113172.5-173.447.20000114.2
1223T25.8Very low30.2Very low120 Ų120113.7 Ų113.774%0.73666%0.664SS**  trans100128.3157.6700000120.4
1224S26.4Very low30.3Very low95 Ų95110.5 Ų110.566%0.66465%0.645SS**  trans55.8141.4143.855.10000121.5
1225S26.9Very low30.4Very low89 Ų89109.3 Ų109.362%0.62264%0.635SS**  cis-175.1-176.5-7.546.30000110.8
1226I28.9Very low30.3Very low137 Ų137105 Ų10570%0.70363%0.625SS**  trans106.676.7161.6-50.6165.4000116.7
1227N26.3Very low30.2Very low140 Ų140100.6 Ų100.675%0.74961%0.605SS**  60.7136.5118.6-64.416.8000125.3
1228T29.9Very low30.3Very low138 Ų138105 Ų10585%0.84761%0.608SS**  trans95.1136.7137.841.20000122.4
1229S32.4Very low30.2Very low49 Ų49105.2 Ų105.234%0.34360%0.602SS.*  trans-142158.1-167.2-48.90000111.4E70E70-S1229 WeakPolarHBondContact OE2-CB 3.47Å; E70-S1229 PolarHBondContact OE2-OG 3.03Å
1230P35Very low30.1Very low76 Ų76103.3 Ų103.349%0.49460%0.601SS.*  trans-141.8156.5160.739.1-25.2000114.3S64S64-P1230 WeakPolarHBondContact CA-O 3.34Å
1231A32.6Very low29.6Very low43 Ų43104.2 Ų104.236%0.35560%0.599SS.*  cis-168.8151-24.300000107.2
1232I34.5Very low29.6Very low51 Ų51102.2 Ų102.226%0.26260%0.595SS.*PPolyproline II helixtrans-87.2143.5168.8-31.9172.1000109.7Y68 Q71 P1234Y68-I1232 VanDerWaalsContact CA-CG1 3.49Å; Y68-I1232 HydrophobicContact CD2-CD1 3.38Å; Y68-I1232 HydrophobicContact CD2-CG1 3.72Å; Y68-I1232 HydrophobicContact CD2-CG2 4.17Å; Y68-I1232 HydrophobicContact CE2-CD1 3.92Å; Y68-I1232 HydrophobicContact CG-CD1 3.9Å; Y68-I1232 HydrophobicContact CG-CG1 4.17Å; Q71-I1232 HydrophobicContact CB-CD1 3.74Å; Q71-I1232 HydrophobicContact CB-CG1 4.25Å; Q71-I1232 HydrophobicContact CG-CD1 4.27Å; Q71-I1232 HydrophobicContact CG-CG1 4.22Å; I1232-P1234 WeakPolarHBondContact O-CD 3.47Å
1233P31.9Very low29.5Very low92 Ų92104 Ų10460%0.59760%0.599SS**PPolyproline II helixtrans-58.9122.915225-34.2000111.6L936L936-P1233 HydrophobicContact CD1-CB 3.8Å
1234P31Very low29.5Very low55 Ų55107.5 Ų107.536%0.35760%0.6SS.*PPolyproline II helixtrans-60.9147.2176.4-23.130.4000114.7L936 I1232L936-P1234 HydrophobicContact CB-CB 3.99Å; L936-P1234 HydrophobicContact CB-CG 4.09Å; L936-P1234 WeakPolarHBondContact CD1-O 3.39Å; I1232-P1234 WeakPolarHBondContact O-CD 3.47Å
1235K36.4Very low29.4Very low156 Ų156107.3 Ų107.368%0.67860%0.599SS**PPolyproline II helixtrans-64.7138.1167.2-141.3-177.4-176.7-166.10108.1E1354K1235-E1354 IonicContact NZ-OE1 2.68Å
1236P29.2Very low29.4Very low84 Ų84109.5 Ų109.555%0.54561%0.608SS.*PPolyproline II helixtrans-61.9145.9-179.124.3-35000112.7Y1238P1236-Y1238 PolarHBondContact O-N 3.26Å
1237S30.7Very low29.3Very low47 Ų47107.8 Ų107.833%0.32960%0.6SS.*  trans-81.5111.1-174.7-33.80000111.9T938 I941 L1239T938-S1237 WeakPolarHBondContact OG1-CB 3.49Å; T938-S1237 PolarHBondContact OG1-OG 3.37Å; I941-S1237 VanDerWaalsContact CD1-OG 3.26Å; I941-S1237 WeakPolarHBondContact CD1-OG 3.35Å; S1237-L1239 PolarHBondContact O-N 3.47Å; S1237-L1239 VanDerWaalsContact O-N 3.16Å
1238Y31.4Very low29.4Very low188 Ų188106.1 Ų106.174%0.73760%0.597SS**  trans-74.3102.8168.2-74.1-73.2000110.7P1236P1236-Y1238 PolarHBondContact O-N 3.26Å
1239L25.7Very low29.3Very low112 Ų112106.2 Ų106.259%0.58659%0.592SS**  trans-99.881.8165.4-137.4169.9000107.5S1237 N1241S1237-L1239 PolarHBondContact O-N 3.47Å; S1237-L1239 VanDerWaalsContact O-N 3.16Å; L1239-N1241 PolarHBondContact O-N 2.96Å
1240S27.4Very low29Very low101 Ų101114.5 Ų114.571%0.70662%0.616SS**  trans-71.170.1-171.4-51.90000113
1241N25.9Very low28.6Very low135 Ų135115.8 Ų115.872%0.72263%0.627SS**  trans-69.6144.3162.5-84.4-22.5000110.1L1239L1239-N1241 PolarHBondContact O-N 2.96Å
1242T26.6Very low28.4Very low125 Ų125117.6 Ų117.677%0.76764%0.637SS**  trans78.356.1171.9-30.50000117
1243I24.3Very low28.1Very low151 Ų151121.8 Ų121.877%0.77466%0.655SS**  -83.4103.5127.2-62.2176.5000106.2
1244Y26Very low28.1Very low193 Ų193122.2 Ų122.276%0.75765%0.651SS**  trans-179.977.7152.7-94-54.9000112.4
1245S25.3Very low28Very low92 Ų92124.9 Ų124.964%0.64366%0.663SS**  trans-159.535.115257.60000113.3L1247S1245-L1247 PolarHBondContact O-N 3.46Å
1246T26.1Very low27.6Very low134 Ų134127.4 Ų127.482%0.82267%0.668SS**  trans-67.585.8161.333.20000109.7P1248T1246-P1248 WeakPolarHBondContact O-CD 3.32Å
1247L25.9Very low27.6Very low102 Ų102129.8 Ų129.853%0.53468%0.676SS.*  trans-105.1106.6178.1-138.8169.7000109.2S1245S1245-L1247 PolarHBondContact O-N 3.46Å
1248P28.7Very low27.6Very low104 Ų104132.6 Ų132.668%0.67570%0.696SS**  trans-92.5137.2-171.134.3-34.2000113.2T1246T1246-P1248 WeakPolarHBondContact O-CD 3.32Å
1249N27.8Very low27.5Very low140 Ų140129.3 Ų129.375%0.74970%0.7SS**  trans-164.3118.8142.7-97.7-33.6000107.9
1250R27.2Very low27.8Very low224 Ų224130 Ų13085%0.84571%0.709SS**  72.8125.675.2-89.4-167.8161.8-150.5-1.6114.6
1251S26.6Very low28.1Very low103 Ų103133.6 Ų133.672%0.7271%0.714SS**  trans54.9122.8148.555.30000118.3
1252S27.1Very low28.7Very low80 Ų80132.2 Ų132.256%0.55971%0.713SS**  cis161.7-177.921.541.60000108.2
1253H30.2Very low28.6Very low140 Ų140132 Ų13265%0.64872%0.716SS**  trans75.5138.1169-52.8-71.7000117.5
1254L29.9Very low29Very low100 Ų100129.5 Ų129.552%0.52471%0.711SS.*  cis-157.8159.1-10.5-115.8169000112.5N691N691-L1254 PolarHBondContact ND2-O 2.9Å
1255N29.3Very low29.5Very low112 Ų112127.2 Ų127.260%0.59971%0.712SS**  trans69.6149.6154.2-72.6-28.6000120.6
1256R28.1Very low29.7Very low209 Ų209130.3 Ų130.379%0.78972%0.721SS**  cis-169.5168.1-34.6-135.9-176.8179178.5-1.1110.9
1257N30.4Very low30.1Very low133 Ų133129 Ų12971%0.71172%0.715SS**  trans78.2147.7160-56.1-11000118.3
1258S29.9Very low30.5Very low106 Ų106130.4 Ų130.474%0.74173%0.727SS**  168.5130.1-58.653.30000112.1
1259S30.3Very low30.7Very low119 Ų119132 Ų13283%0.83273%0.729SS**  trans-170.9146.8167.853.90000107.9
1260V32Very low31Very low126 Ų126134.9 Ų134.976%0.76473%0.731SS**  cis-130.1132.44.3177.80000105.5
1261Q32.4Very low31.2Very low177 Ų177130 Ų13083%0.82772%0.722SS**  47.115593.4-99.4-152.81.600116.6
1262P38Very low31.7Very low107 Ų107129.7 Ų129.770%0.69572%0.719SS**  cis-130.4163.47.841.2-26.3000116.7
1263C26.1Very low32.2Very low121 Ų121130.3 Ų130.382%0.81872%0.723SS**  trans-165.5145.8135.5-123.20000113.9
1264S32.9Very low32.4Very low97 Ų97132.6 Ų132.668%0.67873%0.732SS**  trans57101.4162.358.30000122.6
1265N34.7Very low32.6Very low145 Ų145131.8 Ų131.878%0.77573%0.731SS**  90.5118.6117.8-63.6-7.4000124.5
1266L31.2Very low32.8Very low158 Ų158134.5 Ų134.583%0.82774%0.74SS**  trans83.7153.4142.6-9569.6000119.2
1267P34.7Very low33.3Very low107 Ų107129.6 Ų129.670%0.69574%0.738SS**  -137.7-154.1-11739.3-16.8000114.9
1268V33.5Very low33.6Very low131 Ų131128.4 Ų128.479%0.79474%0.74SS**  trans87.9130.9170.8-175.50000114.9
1269L32.9Very low34.3Very low137 Ų137128.6 Ų128.672%0.71774%0.739SS**  cis-171.3158.8-23.5-115.6-174.5000109.3
1270Y33.9Very low34.6Very low201 Ų201130.6 Ų130.679%0.78874%0.74SS**  trans62.4152.6168.4-82.3-112.2000117.6
1271D32.2Very low34.8Very low122 Ų122128.8 Ų128.865%0.65274%0.738SS**  cis-171.9161.8-24.4-173.620000109.9
1272S36.2Very low35Very low95 Ų95125.1 Ų125.166%0.66473%0.732SS**  trans64148.4155.569.40000119.9
1273S36.7Very low35Very low93 Ų93126.8 Ų126.865%0.6574%0.74SS**  cis-175.3144.8-15.749.90000111.9
1274F35.2Very low35.4Very low188 Ų188125.3 Ų125.383%0.82573%0.731SS**  trans69.3153.7140.4-80.3-131.9000119.9
1275T34.4Very low35.6Very low83 Ų83126.1 Ų126.151%0.50973%0.732SS.*  cis-165163.8-22.623.60000110.8
1276E34.1Very low35.6Very low169 Ų169128.8 Ų128.879%0.7974%0.737SS**  trans55.7155.2139.2-69.6153.8166.500121.1
1277S37.5Very low35.6Very low107 Ų107128.2 Ų128.275%0.74873%0.73SS**  cis-166.2-172.4-14.157.30000107
1278S37Very low35.4Very low107 Ų107132.7 Ų132.775%0.74874%0.739SS**  cis-159.8165.72.5-139.10000110.1
1279P44.9Very low35.3Very low111 Ų111133 Ų13372%0.72173%0.732SS**  trans-108.9178.6-179.141.6-33.6000114
1280D35.9Very low35.4Very low161 Ų161133.1 Ų133.186%0.86173%0.732SS**  trans-168.6154.5139-121.2-29.4000116.6
1281A36.4Very low35.2Very low87 Ų87128 Ų12872%0.71973%0.726SS**  trans52.4144.6155.600000123
1282S37.2Very low35.3Very low101 Ų101127.7 Ų127.771%0.70673%0.728SS**  cis-174.7143.8-10.854.40000114.2
1283V37.1Very low35.2Very low141 Ų141128.8 Ų128.886%0.85573%0.73SS**  trans69.8136.7143.31700000118.6
1284S35Very low35Very low90 Ų90131.7 Ų131.763%0.62974%0.739SS**  cis-154.3139.73.8-143.70000115.2
1285T36.4Very low34.7Very low115 Ų115128.1 Ų128.171%0.70674%0.737SS**  trans28.1145133.868.60000122.2
1286K34.6Very low34.9Very low200 Ų200129.4 Ų129.487%0.8775%0.747SS**  cis-152.2154.638.5-74.7-178.7175.6-179.80114.1
1287E30.8Very low34.8Very low147 Ų147125.9 Ų125.969%0.68774%0.741SS**  trans-105.9174.5165.9-58172.486.800112.3Q1289E1287-Q1289 PolarHBondContact OE1-NE2 2.86Å
1288F32.1Very low34.7Very low200 Ų200128.3 Ų128.388%0.87774%0.74SS**  -149.7148.9129.9-127.6-87.1000111.1
1289Q31.4Very low34.4Very low139 Ų139130 Ų13065%0.6574%0.74SS**  trans-124.6-158.5-167.8-54.9-177.7-3.100113.4E1287E1287-Q1289 PolarHBondContact OE1-NE2 2.86Å
1290I33.8Very low33.7Very low139 Ų139130.2 Ų130.271%0.71374%0.739SS**  trans97.796.9165.9-55.8162.7000112.6
1291S31Very low33.5Very low94 Ų94128.8 Ų128.866%0.65773%0.731SS**  75.8156.368.190.10000113.8
1292T34.6Very low33.1Very low115 Ų115129 Ų12971%0.70673%0.727SS**  cis-166.613720-5.30000112.4
1293V32.7Very low32.8Very low117 Ų117131 Ų13171%0.70973%0.729SS**  76.8143.2126163.70000125
1294N34Very low32.4Very low155 Ų155132 Ų13283%0.82972%0.721SS**  trans95.8151.8156.8-82.2-14.4000123.2
1295S28.7Very low32.1Very low112 Ų112136.2 Ų136.278%0.78373%0.729SS**  trans-142.5-168-169.1-20.40000109.3
1296P38.3Very low31.8Very low110 Ų110135.5 Ų135.571%0.71473%0.729SS**  cis-135.1-174.1-27.738.3-20.5000114.6
1297S31.8Very low31.4Very low96 Ų96134 Ų13467%0.67173%0.729SS**  trans92.1150.3138.178.30000124.1
1298H34.6Very low31.5Very low157 Ų157131.5 Ų131.573%0.72773%0.726SS**  trans81.3109.8155-72.5-65.9000124.2
1299L30.6Very low31.2Very low143 Ų143129.7 Ų129.775%0.74972%0.72SS**  81.6115.5125.5-62.6170.1000123.3
1300V31.5Very low31Very low116 Ų116131 Ų13170%0.70373%0.726SS**  95.7132.6117.6167.10000122.3
1301D30.2Very low30.7Very low131 Ų131129.2 Ų129.270%0.70172%0.721SS**  trans63.1105.7157.6-80.6-38.8000124.7
1302S28.5Very low30.5Very low91 Ų91131.3 Ų131.364%0.63673%0.725SS**  49.1121.7102.3-49.60000120.9
1303I31.5Very low30.3Very low142 Ų142132.1 Ų132.173%0.72873%0.725SS**  172.2129.6113.1-89.7159.4000112.5
1304K28.1Very low30.2Very low162 Ų162134.1 Ų134.170%0.70472%0.724SS**  trans20.2139.9146.1-42.3166.8-168.8169.50118.8
1305F30.1Very low29.9Very low179 Ų179136.3 Ų136.379%0.78572%0.722SS**  -173.5163.663.8-116.4-73.9000114.8
1306S30.1Very low29.9Very low101 Ų101136.6 Ų136.671%0.70672%0.716SS**  trans60.9103.914858.90000122.6
1307L26.1Very low29.4Very low168 Ų168136.7 Ų136.788%0.8871%0.714SS**  trans-46.2171.1133-119.869000112.7
1308P31.1Very low29.3Very low94 Ų94135.7 Ų135.761%0.6171%0.707SS**  cis-145.1-1658.543-22.2000117.1
1309Q26.9Very low29Very low163 Ų163132.5 Ų132.576%0.76269%0.692SS**  trans87.2119.6145.6-85.8171.6-9.400121.4
1310H26.6Very low28.9Very low166 Ų166127.5 Ų127.577%0.76966%0.664SS**  41.7134.2113.2-75.1-102.4000118.3
1311T27.1Very low28.7Very low101 Ų101122 Ų12262%0.6263%0.631SS**  cis-170.3168.212.9-10000111.4
1312N27.5Very low28.9Very low138 Ų138116.1 Ų116.174%0.73860%0.6SS**  trans71.4152.1160.1-59.4-0.8000114.8
1313D29.5Very low29.2Very low133 Ų133113.5 Ų113.571%0.71158%0.581SS**  cis-148.8166.123.1-140-23.2000113.8
1314K30.7Very low29.3Very low158 Ų158109 Ų10969%0.68756%0.563SS**  trans72.3125.4160.6-70.4174.8179.2174.80122
1315Y28.7Very low29.5Very low201 Ų201106.4 Ų106.479%0.78856%0.556SS**  trans64.5132.6156-58.7-63.7000118.6
1316D28.1Very low29.7Very low119 Ų119106.1 Ų106.164%0.63655%0.554SS**  cis-158.5176-28.6-144-43.7000109.6S1318D1316-S1318 PolarHBondContact O-N 3.35Å
1317T29Very low29.5Very low111 Ų111105.8 Ų105.868%0.68155%0.551SS**  trans-5.3110.7150.835.80000115.9
1318S28.6Very low29.7Very low76 Ų76107 Ų10753%0.53155%0.552SS.*  89.8146.363.373.50000114.8D1316D1316-S1318 PolarHBondContact O-N 3.35Å
1319H29Very low29.6Very low89 Ų89111.7 Ų111.741%0.41256%0.562SS.*  trans66.9124.6133.8-77.8-151.3000121.3H117 I125H117-H1319 AromaticContact CE1-CD2 3.48Å; H117-H1319 PolarHBondContact CE1-CD2 3.5Å; H117-H1319 VanDerWaalsContact CE1-CD2 3.48Å; H117-H1319 AromaticContact CE1-NE2 3.4Å; H117-H1319 PolarHBondContact CE1-NE2 2.97Å; H117-H1319 AromaticContact NE2-CD2 3.34Å; H117-H1319 PolarHBondContact NE2-CD2 3.14Å; H117-H1319 VanDerWaalsContact NE2-CD2 3.34Å; H117-H1319 AromaticContact NE2-NE2 3.78Å; I125-H1319 WeakPolarHBondContact CD1-O 3.31Å
1320Y28.4Very low29.8Very low39 Ų39109.6 Ų109.615%0.15357%0.565CS.*  117.632.1124.5-76.8-130.8000126.3Q120 N121 L122 S124 I125Q120-Y1320 WeakPolarHBondContact O-CD1 3.22Å; Q120-Y1320 WeakPolarHBondContact O-CE1 3.49Å; Q120-Y1320 PolarHBondContact OE1-OH 2.99Å; N121-Y1320 VanDerWaalsContact C-CA 3.49Å; N121-Y1320 CarbonylContact C-O 3.58Å; N121-Y1320 VanDerWaalsContact CA-CA 3.45Å; N121-Y1320 VanDerWaalsContact CA-CD2 3.49Å; N121-Y1320 HydrophobicContact CB-CD2 4.2Å; N121-Y1320 HydrophobicContact CB-CG 4.33Å; N121-Y1320 VanDerWaalsContact CG-CA 3.44Å; N121-Y1320 CarbonylContact O-C 3.17Å; N121-Y1320 WeakPolarHBondContact O-CA 3.28Å; N121-Y1320 WeakPolarHBondContact O-CB 3.41Å; N121-Y1320 WeakPolarHBondContact O-CD1 3.41Å; N121-Y1320 WeakPolarHBondContact OD1-CA 3.19Å; N121-Y1320 WeakPolarHBondContact OD1-CD2 3.5Å; N121-Y1320 PolarHBondContact OD1-N 2.85Å; L122-Y1320 WeakPolarHBondContact CA-O 3.31Å; S124-Y1320 VanDerWaalsContact CB-CD1 3.43Å; S124-Y1320 WeakPolarHBondContact OG-CB 3.26Å; S124-Y1320 WeakPolarHBondContact OG-CD1 3.48Å; I125-Y1320 WeakPolarHBondContact CA-O 3.47Å; I125-Y1320 WeakPolarHBondContact CB-O 3.45Å; I125-Y1320 WeakPolarHBondContact CG1-O 3.42Å; I125-Y1320 PolarHBondContact N-O 3.14Å
1321S27.2Very low30.2Very low1 Ų1105.8 Ų105.81%0.00756%0.558CS.*  trans20-138.8160.7-47.40000124.1N121 I125 V126 F223N121-S1321 WeakPolarHBondContact CB-OG 3.24Å; N121-S1321 PolarHBondContact ND2-OG 3.09Å; I125-S1321 WeakPolarHBondContact CB-O 3.38Å; V126-S1321 WeakPolarHBondContact CG2-O 3.3Å; V126-S1321 PolarHBondContact N-O 3.07Å; F223-S1321 WeakPolarHBondContact CD2-OG 3.39Å; F223-S1321 WeakPolarHBondContact CE2-OG 3.49Å
1322P34Very low31Very low7 Ų7104.4 Ų104.45%0.04555%0.546CS..  cis-90.4-136.4-15.82.7-0.6000123.4V58 V62 L122 V127 F223V58-P1322 HydrophobicContact CG1-CG 3.78Å; V62-P1322 HydrophobicContact CG2-CB 3.73Å; V62-P1322 HydrophobicContact CG2-CG 3.89Å; L122-P1322 HydrophobicContact CB-CB 2.3Å; L122-P1322 HydrophobicContact CB-CG 2.28Å; L122-P1322 HydrophobicContact CD1-CB 3.74Å; L122-P1322 HydrophobicContact CD1-CG 3.84Å; L122-P1322 WeakPolarHBondContact CD1-O 3.37Å; L122-P1322 HydrophobicContact CD2-CB 2.71Å; L122-P1322 HydrophobicContact CD2-CG 2.94Å; L122-P1322 HydrophobicContact CG-CB 2.32Å; L122-P1322 HydrophobicContact CG-CG 2.29Å; L122-P1322 WeakPolarHBondContact O-CD 3.18Å; L122-P1322 WeakPolarHBondContact O-CG 3.45Å; V127-P1322 HydrophobicContact CB-CG 4.48Å; V127-P1322 HydrophobicContact CG2-CG 3.53Å; F223-P1322 WeakPolarHBondContact CD1-O 3.5Å; F223-P1322 WeakPolarHBondContact CE1-O 3.28Å; F223-P1322 WeakPolarHBondContact CZ-O 3.44Å
1323S34.1Very low31.6Very low36 Ų36104.1 Ų104.125%0.25255%0.545SS..  trans-78.7-158.2170.972.30000120.4V61 L122V61-S1323 VanDerWaalsContact CB-OG 3.26Å; V61-S1323 WeakPolarHBondContact CB-OG 3.29Å; V61-S1323 WeakPolarHBondContact CG2-OG 3.34Å; L122-S1323 WeakPolarHBondContact CD1-O 3.38Å; L122-S1323 WeakPolarHBondContact CD2-O 3.29Å; L122-S1323 VanDerWaalsContact CG-N 3.3Å
1324S34.8Very low32.1Very low48 Ų48104.6 Ų104.634%0.33655%0.547SS..  cis-172118.547.5-1380000118.8L57 V58L57-S1324 WeakPolarHBondContact CB-OG 3.48Å; L57-S1324 PolarHBondContact O-OG 3.15Å; V58-S1324 PolarHBondContact N-OG 3.39Å
1325L32.4Very low33.3Very low107 Ų10799.1 Ų99.156%0.5653%0.529SS*.  trans53.7108.3134.3-72.1165.6000123.4L57 V61L57-L1325 HydrophobicContact CD2-CD1 4.48Å; V61-L1325 HydrophobicContact CG2-CD1 3.92Å; V61-L1325 HydrophobicContact CG2-CG 4.49Å
1326K34.3Very low35.1Very low172 Ų17290.5 Ų90.575%0.74850%0.496SS*.  171.1172.5113.1-89.4150.9-167.9175.70112.8
1327C26Very low36.7Very low94 Ų9491.5 Ų91.564%0.63550%0.5SS*.  cis-178.7130.2-44.1-1750000110.8
1328H29.3Very low38.7Very low195 Ų19591.8 Ų91.890%0.90350%0.498SS*.  trans-144.2153.3161.2-93.7-90.8000108.8
1329K30.1Very low41Very low191 Ų19188.2 Ų88.283%0.8347%0.473SS*.  trans-146.5120.4177.2-70.4-171.4175.7-171.80112.3
1330S29.9Very low43.6Very low119 Ų11990.9 Ų90.983%0.83248%0.483SS*.SBendtrans162.3-22.2145.843.70000114.7
1331S36.7Very low46.3Very low86 Ų8693.2 Ų93.260%0.60150%0.502SS*.  trans-82-28.6-156.8-43.60000118.6N1333 L1334S1331-N1333 VanDerWaalsContact C-N 3.31Å; S1331-N1333 PolarHBondContact O-N 3.13Å; S1331-N1333 VanDerWaalsContact O-N 3.12Å; S1331-L1334 PolarHBondContact O-N 2.85Å
1332N43.3Very low49Very low72 Ų7294.9 Ų94.939%0.38552%0.518SS..Hα-helixtrans-60.7-31.1-162.4-71.626.6000115.3L1334 S1335 I1336N1332-L1334 VanDerWaalsContact C-N 3.26Å; N1332-L1334 PolarHBondContact O-N 3.33Å; N1332-S1335 PolarHBondContact O-N 3.47Å; N1332-S1335 PolarHBondContact O-OG 2.97Å; N1332-I1336 WeakPolarHBondContact O-CD1 3.31Å
1333N40.7Very low51.7Low132 Ų13295.9 Ų95.971%0.70652%0.524SS*.Hα-helixtrans-72.3-15.5-177-72.519.8000113.8S1331 L1337S1331-N1333 VanDerWaalsContact C-N 3.31Å; S1331-N1333 PolarHBondContact O-N 3.13Å; S1331-N1333 VanDerWaalsContact O-N 3.12Å; N1333-L1337 WeakPolarHBondContact O-CD1 3.47Å
1334L38.2Very low54.3Low143 Ų14396.5 Ų96.575%0.74952%0.524SS*.Hα-helixtrans-87.4-28.6177.9-115.471.7000113.1S1331 N1332S1331-L1334 PolarHBondContact O-N 2.85Å; N1332-L1334 VanDerWaalsContact C-N 3.26Å; N1332-L1334 PolarHBondContact O-N 3.33Å
1335S57.7Low57.1Low44 Ų4494.2 Ų94.231%0.30851%0.508SS..Hα-helixtrans-76.6-33.1-178.738.50000113.5N1332 R1399N1332-S1335 PolarHBondContact O-N 3.47Å; N1332-S1335 PolarHBondContact O-OG 2.97Å; S1335-R1399 WeakPolarHBondContact O-CD 2.76Å
1336I65Low59.9Low20 Ų2091.8 Ų91.810%0.10349%0.494CS..Hα-helixtrans-77.7-34.5-172.8-61.8164.5000111.5N1332 N1338 C1339 W1378 V1394 V1397N1332-I1336 WeakPolarHBondContact O-CD1 3.31Å; I1336-N1338 PolarHBondContact O-N 2.78Å; I1336-C1339 WeakPolarHBondContact O-CB 3.48Å; I1336-C1339 PolarHBondContact O-N 3.18Å; I1336-C1339 VanDerWaalsContact O-N 3.1Å; I1336-C1339 PolarHBondContact O-SG 3.09Å; I1336-W1378 HydrophobicContact CG2-CH2 3.53Å; I1336-W1378 HydrophobicContact CG2-CZ2 4.4Å; I1336-W1378 HydrophobicContact CG2-CZ3 3.97Å; I1336-W1378 WeakPolarHBondContact O-CH2 3.34Å; I1336-V1394 HydrophobicContact CG2-CG1 3.6Å; I1336-V1397 WeakPolarHBondContact CD1-O 3.4Å
1337L62.5Low62.6Low140 Ų14083.6 Ų83.673%0.73346%0.458SS*.THydrogen-bonded Turntrans-61.6-16.4-179-70.2170.8000114.7N1333N1333-L1337 WeakPolarHBondContact O-CD1 3.47Å
1338N70.8Confident65.5Low116 Ų11680.6 Ų80.662%0.6244%0.435SS*.THydrogen-bonded Turntrans-102.59.8180-74-23.6000113.8I1336I1336-N1338 PolarHBondContact O-N 2.78Å
1339C76.5Confident68.1Low2 Ų277.6 Ų77.61%0.01442%0.417CS..  trans-65.1133.4177.8-64.40000112.4I1336 D1343 L1345 L1369 R1372 W1378 R1399I1336-C1339 WeakPolarHBondContact O-CB 3.48Å; I1336-C1339 PolarHBondContact O-N 3.18Å; I1336-C1339 VanDerWaalsContact O-N 3.1Å; I1336-C1339 PolarHBondContact O-SG 3.09Å; C1339-D1343 VanDerWaalsContact CA-OD2 3.23Å; C1339-D1343 WeakPolarHBondContact CA-OD2 3.31Å; C1339-L1345 HydrophobicContact CB-CD2 4.36Å; C1339-L1345 WeakPolarHBondContact SG-CD2 3.38Å; C1339-L1369 HydrophobicContact CB-CD2 3.85Å; C1339-R1372 PolarHBondContact O-NH1 3.36Å; C1339-W1378 HydrophobicContact CB-CH2 3.78Å; C1339-W1378 HydrophobicContact CB-CZ3 3.69Å; C1339-R1399 VanDerWaalsContact SG-CD 3.55Å; C1339-R1399 VanDerWaalsContact SG-CG 3.57Å
1340K83.2Confident70.5Confident144 Ų14473.3 Ų73.363%0.62640%0.403SS*.  trans-109155.6171.9-63.6-179.3-179.41780110.9G1342 D1343 L1369K1340-G1342 PolarHBondContact O-N 3.41Å; K1340-D1343 VanDerWaalsContact N-CG 3.33Å; K1340-D1343 PolarHBondContact N-OD2 2.8Å; K1340-D1343 WeakPolarHBondContact O-CB 3.42Å; K1340-D1343 VanDerWaalsContact O-CG 3.29Å; K1340-D1343 PolarHBondContact O-N 2.87Å; K1340-L1369 WeakPolarHBondContact O-CD2 3.43Å
1341V85.2Confident73Confident89 Ų8968.1 Ų68.154%0.53937%0.367SS..THydrogen-bonded Turntrans-54.2129.9165.2173.50000109.2I1370V1341-I1370 WeakPolarHBondContact CG1-O 3.36Å; V1341-I1370 VanDerWaalsContact CG2-O 3.22Å; V1341-I1370 WeakPolarHBondContact CG2-O 3.23Å
1342G83.8Confident75.1Confident35 Ų3571 Ų7136%0.36137%0.371SS..THydrogen-bonded Turntrans96-16.2-170.600000115.1K1340 Q1368 L1369K1340-G1342 PolarHBondContact O-N 3.41Å; G1342-Q1368 PolarHBondContact O-NE2 3.48Å; G1342-L1369 PolarHBondContact N-O 3.41Å
1343D90.4Very high76.8Confident29 Ų2969.1 Ų69.116%0.15537%0.366CS..  trans-67.6151.7177-74.20.2000112.2C1339 K1340 Q1368 L1369 R1399C1339-D1343 VanDerWaalsContact CA-OD2 3.23Å; C1339-D1343 WeakPolarHBondContact CA-OD2 3.31Å; K1340-D1343 VanDerWaalsContact N-CG 3.33Å; K1340-D1343 PolarHBondContact N-OD2 2.8Å; K1340-D1343 WeakPolarHBondContact O-CB 3.42Å; K1340-D1343 VanDerWaalsContact O-CG 3.29Å; K1340-D1343 PolarHBondContact O-N 2.87Å; D1343-Q1368 WeakPolarHBondContact O-CA 3.28Å; D1343-L1369 PolarHBondContact O-N 2.95Å; D1343-R1399 IonicContact OD1-NH2 2.68Å; D1343-R1399 PolarHBondContact OD1-NH2 3.08Å; D1343-R1399 IonicContact OD2-CZ 4Å; D1343-R1399 IonicContact OD2-NE 2.7Å; D1343-R1399 PolarHBondContact OD2-NE 3.26Å; D1343-R1399 IonicContact OD2-NH2 3Å; D1343-R1399 PolarHBondContact OD2-NH2 3.25Å
1344L90.2Very high78.3Confident48 Ų4870.1 Ų70.125%0.25137%0.366SS..EExtended strand (participates in β ladder)trans-96.2133.4177.6-58.7179.6000111.5I1366 Q1368 Q1383 L1400L1344-I1366 HydrophobicContact CB-CG2 3.74Å; L1344-I1366 HydrophobicContact CD1-CG2 4.48Å; L1344-I1366 HydrophobicContact CD2-CG2 4.08Å; L1344-I1366 HydrophobicContact CG-CG2 4.31Å; L1344-Q1368 HydrophobicContact CD2-CB 3.86Å; L1344-Q1368 HydrophobicContact CD2-CG 3.92Å; L1344-Q1383 HydrophobicContact CD2-CG 4.27Å; L1344-L1400 HydrophobicContact CB-CB 4.35Å; L1344-L1400 HydrophobicContact CB-CD1 3.96Å; L1344-L1400 PolarHBondContact O-N 3.31Å
1345L92.7Very high80.1Confident0 Ų067.7 Ų67.70%035%0.354CS..EExtended strand (participates in β ladder)trans-127117.1-171.7-53.9176.8000110.1C1339 I1366 I1367 L1369 W1378 F1392 V1397 K1398 R1399C1339-L1345 HydrophobicContact CB-CD2 4.36Å; C1339-L1345 WeakPolarHBondContact SG-CD2 3.38Å; L1345-I1366 CarbonylContact O-C 3.53Å; L1345-I1366 WeakPolarHBondContact O-CA 3.29Å; L1345-I1367 HydrophobicContact CB-CB 4.34Å; L1345-I1367 WeakPolarHBondContact CB-O 3.26Å; L1345-I1367 PolarHBondContact N-O 3.28Å; L1345-I1367 PolarHBondContact O-N 2.66Å; L1345-L1369 HydrophobicContact CD1-CB 4.01Å; L1345-L1369 HydrophobicContact CD1-CD1 4.46Å; L1345-L1369 HydrophobicContact CD1-CD2 4.45Å; L1345-W1378 HydrophobicContact CD1-CE3 4.11Å; L1345-W1378 HydrophobicContact CD1-CZ3 4.29Å; L1345-F1392 HydrophobicContact CD1-CE1 4.43Å; L1345-F1392 HydrophobicContact CD1-CE2 3.75Å; L1345-F1392 HydrophobicContact CD1-CZ 3.37Å; L1345-V1397 HydrophobicContact CB-CB 4.12Å; L1345-V1397 HydrophobicContact CB-CG1 4.18Å; L1345-V1397 HydrophobicContact CD1-CG2 4.4Å; L1345-K1398 CarbonylContact C-O 3.55Å; L1345-K1398 WeakPolarHBondContact CA-O 3.46Å; L1345-R1399 HydrophobicContact CD2-CB 4.35Å; L1345-R1399 HydrophobicContact CD2-CG 4.39Å
1346E91.1Very high80.9Confident57 Ų5771.7 Ų71.727%0.26638%0.382SS..EExtended strand (participates in β ladder)trans-78.3123.7173.5-178.4-163.7169.900109.8L1348 I1366 V1397 K1398 L1400E1346-L1348 PolarHBondContact O-N 2.73Å; E1346-I1366 HydrophobicContact CB-CD1 3.98Å; E1346-I1366 HydrophobicContact CG-CD1 4.25Å; E1346-V1397 CarbonylContact O-C 3.42Å; E1346-V1397 WeakPolarHBondContact O-CA 3.28Å; E1346-K1398 PolarHBondContact N-O 2.91Å; E1346-K1398 PolarHBondContact O-N 2.62Å; E1346-K1398 IonicContact OE2-NZ 2.86Å; E1346-K1398 PolarHBondContact OE2-NZ 3.23Å; E1346-L1400 HydrophobicContact CB-CD2 4.14Å; E1346-L1400 HydrophobicContact CB-CG 4.29Å
1347A91.2Very high81.9Confident0 Ų075.4 Ų75.40%040%0.402CS..EExtended strand (participates in β ladder)trans-66.2127.7173.900000112.6F1361 N1362 R1363 G1364 E1365 Y1396A1347-F1361 HydrophobicContact CB-CD2 3.37Å; A1347-F1361 HydrophobicContact CB-CE2 3.64Å; A1347-N1362 VanDerWaalsContact CB-O 3.22Å; A1347-N1362 WeakPolarHBondContact CB-O 3.44Å; A1347-R1363 WeakPolarHBondContact O-CG 3.13Å; A1347-G1364 PolarHBondContact O-N 2.94Å; A1347-E1365 PolarHBondContact N-O 3.26Å; A1347-Y1396 CarbonylContact C-O 3.55Å; A1347-Y1396 WeakPolarHBondContact CA-O 3.42Å
1348L86.4Confident83.1Confident31 Ų3169.9 Ų69.916%0.16237%0.372CS..SBendtrans-87.8-25.4178.8-67179.4000113.7E1346 R1363 Y1396 V1397 K1398E1346-L1348 PolarHBondContact O-N 2.73Å; L1348-R1363 WeakPolarHBondContact O-CD 3.48Å; L1348-R1363 WeakPolarHBondContact O-CG 3.42Å; L1348-R1363 PolarHBondContact O-NE 3.33Å; L1348-R1363 VanDerWaalsContact O-NE 3.16Å; L1348-Y1396 PolarHBondContact N-O 3.12Å; L1348-V1397 VanDerWaalsContact CD1-O 3.32Å; L1348-V1397 WeakPolarHBondContact CD1-O 3.1Å; L1348-K1398 HydrophobicContact CD1-CB 4.14Å; L1348-K1398 HydrophobicContact CD2-CB 3.74Å; L1348-K1398 HydrophobicContact CD2-CD 4.3Å; L1348-K1398 HydrophobicContact CG-CB 3.95Å
1349Y85Confident83.9Confident131 Ų13164.5 Ų64.551%0.51434%0.344SS..SBendtrans-142.5157.6177.9-46.1-68.9000109.3F1361 Y1396Y1349-F1361 WeakPolarHBondContact O-CE2 3.3Å; Y1349-Y1396 HydrophobicContact CD2-CD1 4.27Å; Y1349-Y1396 AromaticContact CD2-CD2 3.75Å; Y1349-Y1396 HydrophobicContact CD2-CD2 3.75Å; Y1349-Y1396 HydrophobicContact CD2-CE2 4.15Å; Y1349-Y1396 AromaticContact CD2-CG 3.81Å; Y1349-Y1396 HydrophobicContact CD2-CG 3.81Å; Y1349-Y1396 HydrophobicContact CG-CG 4.47Å
1350D80.9Confident84.4Confident101 Ų10167.4 Ų67.454%0.5436%0.361SS..  trans-73.8132.1173.2-43.8-74.7000109.9R1363 Y1396D1350-R1363 WeakPolarHBondContact OD1-CB 3.3Å; D1350-R1363 PolarHBondContact OD1-N 3.44Å; D1350-Y1396 WeakPolarHBondContact O-CE1 3.44Å
1351C81.4Confident84.8Confident11 Ų1160.6 Ų60.67%0.07433%0.332CS..BIsolated β-bridgetrans-121.2118.7174.2-1590000109T1360 F1361 Y1396C1351-T1360 CarbonylContact O-C 3.55Å; C1351-T1360 VanDerWaalsContact O-CA 3.28Å; C1351-T1360 WeakPolarHBondContact O-CA 3.34Å; C1351-F1361 HydrophobicContact CB-CD1 3.78Å; C1351-F1361 HydrophobicContact CB-CD2 4.2Å; C1351-F1361 HydrophobicContact CB-CE1 3.21Å; C1351-F1361 HydrophobicContact CB-CE2 3.77Å; C1351-F1361 HydrophobicContact CB-CG 4.23Å; C1351-F1361 HydrophobicContact CB-CZ 3.25Å; C1351-F1361 PolarHBondContact N-O 2.92Å; C1351-F1361 PolarHBondContact O-N 3.33Å; C1351-Y1396 HydrophobicContact CB-CD1 3.83Å; C1351-Y1396 HydrophobicContact CB-CE1 4.04Å
1352E80.7Confident84.8Confident145 Ų14560.5 Ų60.568%0.67833%0.328SS*.  trans-89.1133.1159.9-65-176.314700107.4E1354E1352-E1354 PolarHBondContact O-N 2.69Å
1353A78.9Confident84.9Confident34 Ų3467 Ų6728%0.28134%0.342SS..  trans-62.9117.1174.800000110.9N1355 E1358 T1360A1353-N1355 VanDerWaalsContact C-N 3.35Å; A1353-E1358 HydrophobicContact CB-CB 3.61Å; A1353-E1358 WeakPolarHBondContact CB-O 3.5Å; A1353-T1360 WeakPolarHBondContact CB-OG1 3.27Å; A1353-T1360 PolarHBondContact N-OG1 2.78Å
1354E71.6Confident84.5Confident152 Ų15267.6 Ų67.671%0.7136%0.355SS*.SBendtrans-77.5-24.4172.7-67.3-170.9-166.100110.8K1235 E1352 E1358K1235-E1354 IonicContact NZ-OE1 2.68Å; E1352-E1354 PolarHBondContact O-N 2.69Å; E1354-E1358 PolarHBondContact N-OE2 2.78Å
1355N77.8Confident84.5Confident92 Ų9266.8 Ų66.849%0.49235%0.35SS..SBendtrans-124.7158.7175.5-62.1-78.8000113A1353 D1357 E1358A1353-N1355 VanDerWaalsContact C-N 3.35Å; N1355-D1357 WeakPolarHBondContact CB-OD1 3.41Å; N1355-D1357 PolarHBondContact O-N 3.06Å; N1355-E1358 HydrophobicContact CB-CG 4.2Å; N1355-E1358 WeakPolarHBondContact CB-OE1 3.44Å; N1355-E1358 PolarHBondContact N-OE1 2.78Å; N1355-E1358 PolarHBondContact ND2-OE1 3.32Å; N1355-E1358 WeakPolarHBondContact O-CB 3.32Å; N1355-E1358 PolarHBondContact O-N 2.99Å
1356S73.6Confident84.5Confident129 Ų12968.7 Ų68.790%0.90236%0.36SS*.THydrogen-bonded Turntrans-69.8-15.4-17453.40000115.5
1357D85.5Confident84.6Confident98 Ų9866 Ų6652%0.52435%0.347SS..THydrogen-bonded Turntrans-92.1-5.3173.750.2-53.3000112.6N1355 G1390 M1391N1355-D1357 WeakPolarHBondContact CB-OD1 3.41Å; N1355-D1357 PolarHBondContact O-N 3.06Å; D1357-G1390 CarbonylContact O-C 3.51Å; D1357-G1390 WeakPolarHBondContact O-CA 3.43Å; D1357-M1391 WeakPolarHBondContact O-CG 3.4Å; D1357-M1391 PolarHBondContact O-N 3.31Å
1358E88.9Confident84.7Confident24 Ų2468.7 Ų68.711%0.11236%0.36CS..BIsolated β-bridgetrans-86.5154.2175.2-66.3170.5-152.500112.9A1353 E1354 N1355 W1377 M1391A1353-E1358 HydrophobicContact CB-CB 3.61Å; A1353-E1358 WeakPolarHBondContact CB-O 3.5Å; E1354-E1358 PolarHBondContact N-OE2 2.78Å; N1355-E1358 HydrophobicContact CB-CG 4.2Å; N1355-E1358 WeakPolarHBondContact CB-OE1 3.44Å; N1355-E1358 PolarHBondContact N-OE1 2.78Å; N1355-E1358 PolarHBondContact ND2-OE1 3.32Å; N1355-E1358 WeakPolarHBondContact O-CB 3.32Å; N1355-E1358 PolarHBondContact O-N 2.99Å; E1358-W1377 HydrophobicContact CB-CZ3 4.31Å; E1358-W1377 VanDerWaalsContact CD-CH2 3.47Å; E1358-W1377 HydrophobicContact CG-CE3 4.34Å; E1358-W1377 HydrophobicContact CG-CH2 4.08Å; E1358-W1377 HydrophobicContact CG-CZ3 3.61Å; E1358-W1377 WeakPolarHBondContact OE2-CH2 3.44Å; E1358-M1391 CarbonylContact C-O 3.55Å; E1358-M1391 VanDerWaalsContact CA-O 3.25Å; E1358-M1391 WeakPolarHBondContact CA-O 3.4Å; E1358-M1391 WeakPolarHBondContact CB-O 3.44Å; E1358-M1391 HydrophobicContact CG-CB 4.16Å
1359L87.9Confident85Confident3 Ų367.4 Ų67.42%0.01635%0.353CS..PPolyproline II helixtrans-92.3116.6179-174.665.8000109.5F1361 I1367 I1382 R1388 M1391 F1392L1359-F1361 HydrophobicContact CB-CD1 4.13Å; L1359-F1361 HydrophobicContact CD2-CD1 3.98Å; L1359-F1361 HydrophobicContact CG-CB 4.4Å; L1359-F1361 HydrophobicContact CG-CD1 3.91Å; L1359-F1361 WeakPolarHBondContact O-CD1 3.31Å; L1359-F1361 PolarHBondContact O-N 2.73Å; L1359-I1367 HydrophobicContact CD2-CB 4.44Å; L1359-I1367 HydrophobicContact CD2-CD1 3.95Å; L1359-I1367 HydrophobicContact CD2-CG1 3.93Å; L1359-I1367 HydrophobicContact CD2-CG2 3.65Å; L1359-I1382 HydrophobicContact CD1-CD1 3.88Å; L1359-I1382 HydrophobicContact CD1-CG1 4.16Å; L1359-I1382 HydrophobicContact CD2-CD1 3.85Å; L1359-I1382 HydrophobicContact CG-CD1 3.99Å; L1359-R1388 HydrophobicContact CD1-CB 4.39Å; L1359-R1388 VanDerWaalsContact CD1-O 3.27Å; L1359-R1388 WeakPolarHBondContact CD1-O 3.46Å; L1359-M1391 PolarHBondContact N-O 3.29Å; L1359-F1392 HydrophobicContact CB-CB 4.34Å; L1359-F1392 HydrophobicContact CD2-CB 4.33Å; L1359-F1392 HydrophobicContact CD2-CD1 4Å
1360T86.9Confident85.3Confident63 Ų6363 Ų6339%0.38734%0.337SS..PPolyproline II helixtrans-75.5119.7162-66.20000108.9C1351 A1353 R1388C1351-T1360 CarbonylContact O-C 3.55Å; C1351-T1360 VanDerWaalsContact O-CA 3.28Å; C1351-T1360 WeakPolarHBondContact O-CA 3.34Å; A1353-T1360 WeakPolarHBondContact CB-OG1 3.27Å; A1353-T1360 PolarHBondContact N-OG1 2.78Å; T1360-R1388 PolarHBondContact O-NH2 3.28Å
1361F91.1Very high85.7Confident0 Ų062.3 Ų62.30%033%0.334CS..BIsolated β-bridgetrans-143.6142.9176.562.2-90000111.7A1347 Y1349 C1351 L1359 E1365 I1367 I1382 F1392 Y1396A1347-F1361 HydrophobicContact CB-CD2 3.37Å; A1347-F1361 HydrophobicContact CB-CE2 3.64Å; Y1349-F1361 WeakPolarHBondContact O-CE2 3.3Å; C1351-F1361 HydrophobicContact CB-CD1 3.78Å; C1351-F1361 HydrophobicContact CB-CD2 4.2Å; C1351-F1361 HydrophobicContact CB-CE1 3.21Å; C1351-F1361 HydrophobicContact CB-CE2 3.77Å; C1351-F1361 HydrophobicContact CB-CG 4.23Å; C1351-F1361 HydrophobicContact CB-CZ 3.25Å; C1351-F1361 PolarHBondContact N-O 2.92Å; C1351-F1361 PolarHBondContact O-N 3.33Å; L1359-F1361 HydrophobicContact CB-CD1 4.13Å; L1359-F1361 HydrophobicContact CD2-CD1 3.98Å; L1359-F1361 HydrophobicContact CG-CB 4.4Å; L1359-F1361 HydrophobicContact CG-CD1 3.91Å; L1359-F1361 WeakPolarHBondContact O-CD1 3.31Å; L1359-F1361 PolarHBondContact O-N 2.73Å; F1361-E1365 VanDerWaalsContact CA-OE2 3.32Å; F1361-E1365 WeakPolarHBondContact CA-OE2 3.28Å; F1361-I1367 HydrophobicContact CB-CD1 4.25Å; F1361-I1367 HydrophobicContact CB-CG1 4.45Å; F1361-I1367 HydrophobicContact CD1-CD1 3.85Å; F1361-I1367 HydrophobicContact CD2-CD1 3.87Å; F1361-I1367 HydrophobicContact CE1-CD1 4.17Å; F1361-I1367 HydrophobicContact CE2-CD1 4.13Å; F1361-I1367 HydrophobicContact CG-CD1 3.71Å; F1361-I1367 HydrophobicContact CG-CG1 4.42Å; F1361-I1367 HydrophobicContact CZ-CD1 4.26Å; F1361-I1382 HydrophobicContact CB-CD1 3.68Å; F1361-F1392 HydrophobicContact CD1-CB 3.93Å; F1361-F1392 HydrophobicContact CE1-CB 3.21Å; F1361-F1392 HydrophobicContact CE1-CG 4.36Å; F1361-F1392 HydrophobicContact CZ-CB 3.85Å; F1361-Y1396 HydrophobicContact CE2-CD1 4.32Å; F1361-Y1396 HydrophobicContact CZ-CD1 4.09Å; F1361-Y1396 HydrophobicContact CZ-CG 4.4Å
1362N84.8Confident86Confident88 Ų8867.5 Ų67.547%0.47135%0.352SS..  trans-89.4154.3175.2-58.7-39.2000110.6A1347 G1364 E1365A1347-N1362 VanDerWaalsContact CB-O 3.22Å; A1347-N1362 WeakPolarHBondContact CB-O 3.44Å; N1362-G1364 PolarHBondContact O-N 3.47Å; N1362-E1365 HydrophobicContact CB-CG 4.21Å; N1362-E1365 PolarHBondContact N-OE2 2.77Å; N1362-E1365 WeakPolarHBondContact O-CB 3.09Å; N1362-E1365 PolarHBondContact O-N 3.06Å
1363R86.5Confident86Confident171 Ų17164.8 Ų64.865%0.64535%0.347SS*.THydrogen-bonded Turntrans-56126.4171.9-179.9177.4176.9-138.2-14110.5A1347 L1348 D1350A1347-R1363 WeakPolarHBondContact O-CG 3.13Å; L1348-R1363 WeakPolarHBondContact O-CD 3.48Å; L1348-R1363 WeakPolarHBondContact O-CG 3.42Å; L1348-R1363 PolarHBondContact O-NE 3.33Å; L1348-R1363 VanDerWaalsContact O-NE 3.16Å; D1350-R1363 WeakPolarHBondContact OD1-CB 3.3Å; D1350-R1363 PolarHBondContact OD1-N 3.44Å
1364G81.2Confident86Confident41 Ų4166.6 Ų66.642%0.42335%0.352SS..THydrogen-bonded Turntrans88.6-7.6-175.400000115A1347 N1362A1347-G1364 PolarHBondContact O-N 2.94Å; N1362-G1364 PolarHBondContact O-N 3.47Å
1365E91.1Very high86.3Confident32 Ų3265.7 Ų65.715%0.1535%0.352CS..  trans-66.3143.5164.2-74.8-170.2119.100110.2A1347 F1361 N1362 I1382 R1388A1347-E1365 PolarHBondContact N-O 3.26Å; F1361-E1365 VanDerWaalsContact CA-OE2 3.32Å; F1361-E1365 WeakPolarHBondContact CA-OE2 3.28Å; N1362-E1365 HydrophobicContact CB-CG 4.21Å; N1362-E1365 PolarHBondContact N-OE2 2.77Å; N1362-E1365 WeakPolarHBondContact O-CB 3.09Å; N1362-E1365 PolarHBondContact O-N 3.06Å; E1365-I1382 HydrophobicContact CB-CG2 4.21Å; E1365-I1382 HydrophobicContact CG-CG2 4.46Å; E1365-R1388 IonicContact OE1-CZ 3.8Å; E1365-R1388 IonicContact OE1-NH1 3.16Å; E1365-R1388 PolarHBondContact OE1-NH1 3.39Å; E1365-R1388 IonicContact OE1-NH2 3.33Å; E1365-R1388 PolarHBondContact OE1-NH2 2.91Å; E1365-R1388 IonicContact OE2-CZ 3.02Å; E1365-R1388 IonicContact OE2-NH1 2.75Å; E1365-R1388 IonicContact OE2-NH2 3.96Å; E1365-R1388 PolarHBondContact OE2-NH2 3.09Å
1366I92.3Very high86.6Confident40 Ų4066.2 Ų66.221%0.20536%0.355CS..EExtended strand (participates in β ladder)trans-96.8115.1179.7-52.8-47.4000108.6L1344 L1345 E1346 Q1383 L1400L1344-I1366 HydrophobicContact CB-CG2 3.74Å; L1344-I1366 HydrophobicContact CD1-CG2 4.48Å; L1344-I1366 HydrophobicContact CD2-CG2 4.08Å; L1344-I1366 HydrophobicContact CG-CG2 4.31Å; L1345-I1366 CarbonylContact O-C 3.53Å; L1345-I1366 WeakPolarHBondContact O-CA 3.29Å; E1346-I1366 HydrophobicContact CB-CD1 3.98Å; E1346-I1366 HydrophobicContact CG-CD1 4.25Å; I1366-Q1383 HydrophobicContact CB-CB 4.3Å; I1366-Q1383 HydrophobicContact CG2-CB 4.33Å; I1366-Q1383 WeakPolarHBondContact O-CB 3.12Å; I1366-Q1383 PolarHBondContact O-N 3.18Å; I1366-L1400 HydrophobicContact CD1-CD1 3.77Å; I1366-L1400 HydrophobicContact CG1-CD1 4.21Å; I1366-L1400 HydrophobicContact CG2-CD1 3.93Å
1367I93.6Very high87.2Confident0 Ų063.4 Ų63.40%032%0.324CS..EExtended strand (participates in β ladder)trans-95.3124.5177-52.7164.4000107.6L1345 L1359 F1361 F1381 I1382 F1392 V1397L1345-I1367 HydrophobicContact CB-CB 4.34Å; L1345-I1367 WeakPolarHBondContact CB-O 3.26Å; L1345-I1367 PolarHBondContact N-O 3.28Å; L1345-I1367 PolarHBondContact O-N 2.66Å; L1359-I1367 HydrophobicContact CD2-CB 4.44Å; L1359-I1367 HydrophobicContact CD2-CD1 3.95Å; L1359-I1367 HydrophobicContact CD2-CG1 3.93Å; L1359-I1367 HydrophobicContact CD2-CG2 3.65Å; F1361-I1367 HydrophobicContact CB-CD1 4.25Å; F1361-I1367 HydrophobicContact CB-CG1 4.45Å; F1361-I1367 HydrophobicContact CD1-CD1 3.85Å; F1361-I1367 HydrophobicContact CD2-CD1 3.87Å; F1361-I1367 HydrophobicContact CE1-CD1 4.17Å; F1361-I1367 HydrophobicContact CE2-CD1 4.13Å; F1361-I1367 HydrophobicContact CG-CD1 3.71Å; F1361-I1367 HydrophobicContact CG-CG1 4.42Å; F1361-I1367 HydrophobicContact CZ-CD1 4.26Å; I1367-F1381 CarbonylContact C-O 3.43Å; I1367-F1381 WeakPolarHBondContact CA-O 3.33Å; I1367-I1382 HydrophobicContact CG1-CD1 4.11Å; I1367-F1392 HydrophobicContact CD1-CB 4.34Å; I1367-F1392 HydrophobicContact CD1-CD1 4.28Å; I1367-F1392 HydrophobicContact CD1-CD2 4.25Å; I1367-F1392 HydrophobicContact CD1-CG 4.04Å; I1367-F1392 HydrophobicContact CG2-CD1 3.86Å; I1367-F1392 HydrophobicContact CG2-CE1 3.62Å; I1367-F1392 HydrophobicContact CG2-CZ 4.22Å; I1367-V1397 HydrophobicContact CD1-CG1 3.81Å
1368Q93.2Very high87.6Confident57 Ų5759.8 Ų59.827%0.26630%0.303SS..EExtended strand (participates in β ladder)trans-87.2122.9167.6-170157.529.200109.3G1342 D1343 L1344 I1370 G1380 F1381G1342-Q1368 PolarHBondContact O-NE2 3.48Å; D1343-Q1368 WeakPolarHBondContact O-CA 3.28Å; L1344-Q1368 HydrophobicContact CD2-CB 3.86Å; L1344-Q1368 HydrophobicContact CD2-CG 3.92Å; Q1368-I1370 PolarHBondContact O-N 3.44Å; Q1368-G1380 WeakPolarHBondContact O-CA 3.37Å; Q1368-F1381 HydrophobicContact CB-CD2 4.32Å; Q1368-F1381 HydrophobicContact CB-CE1 4.2Å; Q1368-F1381 HydrophobicContact CB-CE2 3.9Å; Q1368-F1381 HydrophobicContact CB-CZ 3.83Å; Q1368-F1381 HydrophobicContact CG-CE1 4.35Å; Q1368-F1381 HydrophobicContact CG-CZ 4.05Å; Q1368-F1381 PolarHBondContact N-O 3.21Å; Q1368-F1381 PolarHBondContact O-N 3.2Å
1369L93Very high87.8Confident3 Ų360.2 Ų60.22%0.01631%0.305CS..EExtended strand (participates in β ladder)trans-70.3123.6-175.1179.655.6000111.4C1339 K1340 G1342 D1343 L1345 D1371 R1372 W1378 E1379 F1392C1339-L1369 HydrophobicContact CB-CD2 3.85Å; K1340-L1369 WeakPolarHBondContact O-CD2 3.43Å; G1342-L1369 PolarHBondContact N-O 3.41Å; D1343-L1369 PolarHBondContact O-N 2.95Å; L1345-L1369 HydrophobicContact CD1-CB 4.01Å; L1345-L1369 HydrophobicContact CD1-CD1 4.46Å; L1345-L1369 HydrophobicContact CD1-CD2 4.45Å; L1369-D1371 VanDerWaalsContact CD1-O 3.31Å; L1369-D1371 WeakPolarHBondContact CD1-O 3.47Å; L1369-R1372 HydrophobicContact CD1-CG 3.9Å; L1369-R1372 HydrophobicContact CD2-CG 4.26Å; L1369-R1372 HydrophobicContact CG-CG 4.48Å; L1369-W1378 HydrophobicContact CD1-CB 3.87Å; L1369-W1378 HydrophobicContact CD1-CD2 4.22Å; L1369-W1378 HydrophobicContact CD1-CE3 3.95Å; L1369-W1378 HydrophobicContact CD1-CG 4.23Å; L1369-W1378 HydrophobicContact CD2-CE3 4.04Å; L1369-W1378 HydrophobicContact CD2-CZ3 4.21Å; L1369-E1379 WeakPolarHBondContact CD1-O 3.11Å; L1369-F1392 HydrophobicContact CD1-CE1 4.38Å; L1369-F1392 HydrophobicContact CD1-CZ 4.03Å
1370I89.6Confident88Confident38 Ų3860 Ų6020%0.19531%0.305CS..EExtended strand (participates in β ladder)trans-99.6-50.7178.2-55.4166.4000111V1341 Q1368 E1379 G1380 F1381 R1389V1341-I1370 WeakPolarHBondContact CG1-O 3.36Å; V1341-I1370 VanDerWaalsContact CG2-O 3.22Å; V1341-I1370 WeakPolarHBondContact CG2-O 3.23Å; Q1368-I1370 PolarHBondContact O-N 3.44Å; I1370-E1379 HydrophobicContact CD1-CG 4.45Å; I1370-E1379 PolarHBondContact N-O 2.91Å; I1370-G1380 VanDerWaalsContact CD1-C 3.46Å; I1370-F1381 HydrophobicContact CD1-CB 4.13Å; I1370-F1381 HydrophobicContact CD1-CD1 3.73Å; I1370-F1381 HydrophobicContact CD1-CG 4.42Å; I1370-F1381 HydrophobicContact CG1-CD1 3.64Å; I1370-F1381 HydrophobicContact CG1-CE1 4.27Å; I1370-R1389 HydrophobicContact CD1-CB 4.43Å; I1370-R1389 HydrophobicContact CD1-CG 3.58Å
1371D89.1Confident88.3Confident88 Ų8859.4 Ų59.447%0.47130%0.297SS..EExtended strand (participates in β ladder)trans-152.2168.9-172.1-155-7.3000111L1369 E1379L1369-D1371 VanDerWaalsContact CD1-O 3.31Å; L1369-D1371 WeakPolarHBondContact CD1-O 3.47Å; D1371-E1379 HydrophobicContact CB-CB 3.93Å; D1371-E1379 PolarHBondContact N-O 3.34Å; D1371-E1379 VanDerWaalsContact N-O 3.11Å; D1371-E1379 PolarHBondContact O-N 2.72Å
1372R88.6Confident88.4Confident119 Ų11959.4 Ų59.445%0.44930%0.297SS..  trans-140.967.1-177-61177.9-66-179.29.4111.3C1339 L1369 D1374 W1378C1339-R1372 PolarHBondContact O-NH1 3.36Å; L1369-R1372 HydrophobicContact CD1-CG 3.9Å; L1369-R1372 HydrophobicContact CD2-CG 4.26Å; L1369-R1372 HydrophobicContact CG-CG 4.48Å; R1372-D1374 PolarHBondContact O-N 2.99Å; R1372-W1378 HydrophobicContact CB-CG 4.12Å; R1372-W1378 HydrophobicContact CG-CB 4.32Å; R1372-W1378 HydrophobicContact CG-CD2 3.83Å; R1372-W1378 HydrophobicContact CG-CG 3.66Å
1373P80.2Confident88.4Confident88 Ų8859.8 Ų59.857%0.57130%0.296SS*.SBendtrans-71.4-11.6-176.630.2-36.9000114.2M1391P1373-M1391 HydrophobicContact CG-CE 3.41Å; P1373-M1391 VanDerWaalsContact CG-CE 3.41Å; P1373-M1391 HydrophobicContact CG-SD 3.61Å
1374D79.3Confident88Confident72 Ų7256.3 Ų56.339%0.38530%0.298SS..SBendtrans-142.4171.3169.2-17534.5000112.2R1372 D1376 W1377 W1378R1372-D1374 PolarHBondContact O-N 2.99Å; D1374-D1376 PolarHBondContact OD2-N 3.07Å; D1374-W1377 CarbonylContact C-O 2.95Å; D1374-W1377 PolarHBondContact N-O 3.15Å; D1374-W1377 VanDerWaalsContact O-O 3.11Å; D1374-W1378 PolarHBondContact O-NE1 3.23Å
1375N78.1Confident88Confident133 Ų13356.9 Ų56.971%0.71129%0.291SS*.SBendtrans-77.7-34176.2-61.8-94.2000112.5V1394N1375-V1394 WeakPolarHBondContact O-CG2 3.46Å
1376D83.6Confident87.5Confident103 Ų10359.6 Ų59.655%0.55131%0.311SS*.SBendtrans-98.2-15.4-179.1-77.2-43.2000112.8D1374 P1393 V1394D1374-D1376 PolarHBondContact OD2-N 3.07Å; D1376-P1393 CarbonylContact O-C 3.58Å; D1376-P1393 VanDerWaalsContact O-CA 3.22Å; D1376-P1393 WeakPolarHBondContact O-CA 3.35Å; D1376-V1394 PolarHBondContact O-N 3.12Å
1377W86.8Confident86.7Confident70 Ų7062.5 Ų62.527%0.26534%0.335SS..EExtended strand (participates in β ladder)trans-132.6130.9175.7-67.483.4000113E1358 D1374 M1391 F1392 P1393E1358-W1377 HydrophobicContact CB-CZ3 4.31Å; E1358-W1377 VanDerWaalsContact CD-CH2 3.47Å; E1358-W1377 HydrophobicContact CG-CE3 4.34Å; E1358-W1377 HydrophobicContact CG-CH2 4.08Å; E1358-W1377 HydrophobicContact CG-CZ3 3.61Å; E1358-W1377 WeakPolarHBondContact OE2-CH2 3.44Å; D1374-W1377 CarbonylContact C-O 2.95Å; D1374-W1377 PolarHBondContact N-O 3.15Å; D1374-W1377 VanDerWaalsContact O-O 3.11Å; W1377-M1391 HydrophobicContact CB-CE 3.6Å; W1377-M1391 HydrophobicContact CE3-CB 4.02Å; W1377-M1391 VanDerWaalsContact O-CE 3.31Å; W1377-M1391 WeakPolarHBondContact O-CE 3.41Å; W1377-F1392 CarbonylContact C-O 3.49Å; W1377-F1392 WeakPolarHBondContact CA-O 3.36Å; W1377-P1393 HydrophobicContact CD2-CB 4.29Å; W1377-P1393 HydrophobicContact CE3-CB 4.37Å; W1377-P1393 HydrophobicContact CH2-CG 4.44Å; W1377-P1393 HydrophobicContact CZ3-CG 4.33Å
1378W93.2Very high86.3Confident22 Ų2265.8 Ų65.88%0.08335%0.347CS..EExtended strand (participates in β ladder)trans-121.4154.6177.8-69.9-9.1000111.8I1336 C1339 L1345 L1369 R1372 D1374 M1391 F1392 V1394I1336-W1378 HydrophobicContact CG2-CH2 3.53Å; I1336-W1378 HydrophobicContact CG2-CZ2 4.4Å; I1336-W1378 HydrophobicContact CG2-CZ3 3.97Å; I1336-W1378 WeakPolarHBondContact O-CH2 3.34Å; C1339-W1378 HydrophobicContact CB-CH2 3.78Å; C1339-W1378 HydrophobicContact CB-CZ3 3.69Å; L1345-W1378 HydrophobicContact CD1-CE3 4.11Å; L1345-W1378 HydrophobicContact CD1-CZ3 4.29Å; L1369-W1378 HydrophobicContact CD1-CB 3.87Å; L1369-W1378 HydrophobicContact CD1-CD2 4.22Å; L1369-W1378 HydrophobicContact CD1-CE3 3.95Å; L1369-W1378 HydrophobicContact CD1-CG 4.23Å; L1369-W1378 HydrophobicContact CD2-CE3 4.04Å; L1369-W1378 HydrophobicContact CD2-CZ3 4.21Å; R1372-W1378 HydrophobicContact CB-CG 4.12Å; R1372-W1378 HydrophobicContact CG-CB 4.32Å; R1372-W1378 HydrophobicContact CG-CD2 3.83Å; R1372-W1378 HydrophobicContact CG-CG 3.66Å; D1374-W1378 PolarHBondContact O-NE1 3.23Å; W1378-M1391 CarbonylContact O-C 3.5Å; W1378-M1391 VanDerWaalsContact O-CA 3.28Å; W1378-M1391 WeakPolarHBondContact O-CA 3.41Å; W1378-M1391 WeakPolarHBondContact O-CE 3.44Å; W1378-F1392 HydrophobicContact CB-CD2 4.47Å; W1378-F1392 HydrophobicContact CB-CE1 3.88Å; W1378-F1392 HydrophobicContact CB-CE2 3.82Å; W1378-F1392 HydrophobicContact CB-CZ 3.49Å; W1378-F1392 VanDerWaalsContact CB-CZ 3.49Å; W1378-F1392 AromaticContact CE3-CE2 4Å; W1378-F1392 HydrophobicContact CE3-CE2 4Å; W1378-F1392 HydrophobicContact CE3-CZ 4Å; W1378-F1392 HydrophobicContact CG-CZ 4.43Å; W1378-F1392 PolarHBondContact N-O 2.9Å; W1378-F1392 WeakPolarHBondContact O-CD1 3.33Å; W1378-F1392 WeakPolarHBondContact O-CE1 3.2Å; W1378-F1392 PolarHBondContact O-N 2.7Å; W1378-V1394 HydrophobicContact CB-CG2 4.25Å; W1378-V1394 VanDerWaalsContact CD1-CG2 3.47Å; W1378-V1394 HydrophobicContact CD2-CG1 4.39Å; W1378-V1394 HydrophobicContact CD2-CG2 3.46Å; W1378-V1394 VanDerWaalsContact CD2-CG2 3.46Å; W1378-V1394 VanDerWaalsContact CE2-CG2 3.45Å; W1378-V1394 HydrophobicContact CE3-CG1 4.48Å; W1378-V1394 HydrophobicContact CE3-CG2 4.12Å; W1378-V1394 HydrophobicContact CG-CG2 3.49Å; W1378-V1394 VanDerWaalsContact CG-CG2 3.49Å; W1378-V1394 HydrophobicContact CH2-CG1 3.99Å; W1378-V1394 HydrophobicContact CZ2-CG1 3.87Å; W1378-V1394 HydrophobicContact CZ2-CG2 4.12Å; W1378-V1394 HydrophobicContact CZ3-CG1 4.29Å
1379E93Very high86.1Confident33 Ų3369.8 Ų69.815%0.15436%0.36CS..EExtended strand (participates in β ladder)trans-95.4134.4177.3-158-164.9-158.200111.2L1369 I1370 D1371 R1389 G1390 M1391L1369-E1379 WeakPolarHBondContact CD1-O 3.11Å; I1370-E1379 HydrophobicContact CD1-CG 4.45Å; I1370-E1379 PolarHBondContact N-O 2.91Å; D1371-E1379 HydrophobicContact CB-CB 3.93Å; D1371-E1379 PolarHBondContact N-O 3.34Å; D1371-E1379 VanDerWaalsContact N-O 3.11Å; D1371-E1379 PolarHBondContact O-N 2.72Å; E1379-R1389 VanDerWaalsContact CD-NE 3.3Å; E1379-R1389 IonicContact OE1-CZ 3.09Å; E1379-R1389 IonicContact OE1-NE 2.67Å; E1379-R1389 PolarHBondContact OE1-NE 3.16Å; E1379-R1389 IonicContact OE1-NH2 2.75Å; E1379-R1389 PolarHBondContact OE1-NH2 3.03Å; E1379-R1389 IonicContact OE2-CZ 2.83Å; E1379-R1389 IonicContact OE2-NE 2.8Å; E1379-R1389 PolarHBondContact OE2-NE 3.49Å; E1379-R1389 IonicContact OE2-NH2 3.74Å; E1379-R1389 PolarHBondContact OE2-NH2 3.31Å; E1379-G1390 CarbonylContact C-O 3.55Å; E1379-G1390 WeakPolarHBondContact CA-O 3.5Å; E1379-M1391 HydrophobicContact CB-SD 3.62Å; E1379-M1391 HydrophobicContact CG-SD 3.94Å
1380G93.2Very high86Confident0 Ų069.7 Ų69.70%036%0.36CS..EExtended strand (participates in β ladder)trans-149.3168179.800000113.2Q1368 I1370 R1389 G1390Q1368-G1380 WeakPolarHBondContact O-CA 3.37Å; I1370-G1380 VanDerWaalsContact CD1-C 3.46Å; G1380-R1389 CarbonylContact O-C 3.08Å; G1380-R1389 VanDerWaalsContact O-CA 3.26Å; G1380-R1389 WeakPolarHBondContact O-CA 3.36Å; G1380-G1390 PolarHBondContact N-O 3.5Å; G1380-G1390 PolarHBondContact O-N 2.89Å
1381F93.3Very high86.1Confident50 Ų5069.1 Ų69.122%0.21936%0.357CS..EExtended strand (participates in β ladder)trans-121.7152.716567.7-101.7000111I1367 Q1368 I1370 Q1383 P1386 R1388 R1389I1367-F1381 CarbonylContact C-O 3.43Å; I1367-F1381 WeakPolarHBondContact CA-O 3.33Å; Q1368-F1381 HydrophobicContact CB-CD2 4.32Å; Q1368-F1381 HydrophobicContact CB-CE1 4.2Å; Q1368-F1381 HydrophobicContact CB-CE2 3.9Å; Q1368-F1381 HydrophobicContact CB-CZ 3.83Å; Q1368-F1381 HydrophobicContact CG-CE1 4.35Å; Q1368-F1381 HydrophobicContact CG-CZ 4.05Å; Q1368-F1381 PolarHBondContact N-O 3.21Å; Q1368-F1381 PolarHBondContact O-N 3.2Å; I1370-F1381 HydrophobicContact CD1-CB 4.13Å; I1370-F1381 HydrophobicContact CD1-CD1 3.73Å; I1370-F1381 HydrophobicContact CD1-CG 4.42Å; I1370-F1381 HydrophobicContact CG1-CD1 3.64Å; I1370-F1381 HydrophobicContact CG1-CE1 4.27Å; F1381-Q1383 PolarHBondContact O-N 3.24Å; F1381-P1386 HydrophobicContact CD2-CB 3.91Å; F1381-P1386 HydrophobicContact CD2-CG 4.14Å; F1381-P1386 HydrophobicContact CE2-CB 4.14Å; F1381-P1386 HydrophobicContact CE2-CG 4.07Å; F1381-P1386 HydrophobicContact CG-CB 4.46Å; F1381-R1388 CarbonylContact C-O 3.43Å; F1381-R1388 WeakPolarHBondContact CA-O 3.37Å; F1381-R1388 WeakPolarHBondContact CB-O 3.47Å; F1381-R1389 HydrophobicContact CB-CB 4.16Å
1382I91.8Very high86.2Confident0 Ų065 Ų650%034%0.335CS..EExtended strand (participates in β ladder)trans-73.1126.9176.4-43.9-62.3000109.2L1359 F1361 E1365 I1367 S1384 D1385 R1388L1359-I1382 HydrophobicContact CD1-CD1 3.88Å; L1359-I1382 HydrophobicContact CD1-CG1 4.16Å; L1359-I1382 HydrophobicContact CD2-CD1 3.85Å; L1359-I1382 HydrophobicContact CG-CD1 3.99Å; F1361-I1382 HydrophobicContact CB-CD1 3.68Å; E1365-I1382 HydrophobicContact CB-CG2 4.21Å; E1365-I1382 HydrophobicContact CG-CG2 4.46Å; I1367-I1382 HydrophobicContact CG1-CD1 4.11Å; I1382-S1384 VanDerWaalsContact CG2-OG 3.25Å; I1382-S1384 WeakPolarHBondContact CG2-OG 3.44Å; I1382-S1384 PolarHBondContact O-N 2.99Å; I1382-S1384 VanDerWaalsContact O-N 3.11Å; I1382-D1385 CarbonylContact O-C 3.59Å; I1382-D1385 WeakPolarHBondContact O-CA 3.38Å; I1382-D1385 PolarHBondContact O-N 2.98Å; I1382-D1385 VanDerWaalsContact O-O 3.1Å; I1382-R1388 HydrophobicContact CB-CB 4.47Å; I1382-R1388 HydrophobicContact CG1-CB 3.72Å; I1382-R1388 PolarHBondContact N-O 2.85Å
1383Q86.7Confident86.3Confident96 Ų9659.9 Ų59.945%0.44932%0.317SS..THydrogen-bonded Turntrans-59.4-28-177.7-166.5-176.11200112.9L1344 I1366 F1381L1344-Q1383 HydrophobicContact CD2-CG 4.27Å; I1366-Q1383 HydrophobicContact CB-CB 4.3Å; I1366-Q1383 HydrophobicContact CG2-CB 4.33Å; I1366-Q1383 WeakPolarHBondContact O-CB 3.12Å; I1366-Q1383 PolarHBondContact O-N 3.18Å; F1381-Q1383 PolarHBondContact O-N 3.24Å
1384S76.8Confident86.8Confident98 Ų9856.4 Ų56.469%0.68529%0.294SS*.THydrogen-bonded Turntrans-82.9-16.3173.654.50000114.5I1382I1382-S1384 VanDerWaalsContact CG2-OG 3.25Å; I1382-S1384 WeakPolarHBondContact CG2-OG 3.44Å; I1382-S1384 PolarHBondContact O-N 2.99Å; I1382-S1384 VanDerWaalsContact O-N 3.11Å
1385D80.8Confident87.2Confident53 Ų5357.3 Ų57.328%0.28330%0.302SS..EExtended strand (participates in β ladder)trans-149.289.4176.8-177.70.5000111.3I1382 S1387 R1388I1382-D1385 CarbonylContact O-C 3.59Å; I1382-D1385 WeakPolarHBondContact O-CA 3.38Å; I1382-D1385 PolarHBondContact O-N 2.98Å; I1382-D1385 VanDerWaalsContact O-O 3.1Å; D1385-S1387 PolarHBondContact O-N 3.41Å; D1385-S1387 WeakPolarHBondContact OD1-CA 3.23Å; D1385-S1387 VanDerWaalsContact OD1-CB 3.27Å; D1385-S1387 WeakPolarHBondContact OD1-CB 3.27Å; D1385-S1387 PolarHBondContact OD1-N 3.48Å; D1385-S1387 PolarHBondContact OD1-OG 3.49Å; D1385-S1387 PolarHBondContact OD2-OG 2.94Å; D1385-R1388 HydrophobicContact CB-CB 4.47Å; D1385-R1388 HydrophobicContact CB-CG 4.47Å; D1385-R1388 PolarHBondContact O-N 3.13Å; D1385-R1388 WeakPolarHBondContact OD2-CD 3.42Å; D1385-R1388 WeakPolarHBondContact OD2-CG 3.46Å
1386P81.5Confident87.7Confident88 Ų8854.2 Ų54.257%0.57128%0.281SS*.EExtended strand (participates in β ladder)trans-63.3-5.7176.7-24.735.6000115.4F1381F1381-P1386 HydrophobicContact CD2-CB 3.91Å; F1381-P1386 HydrophobicContact CD2-CG 4.14Å; F1381-P1386 HydrophobicContact CE2-CB 4.14Å; F1381-P1386 HydrophobicContact CE2-CG 4.07Å; F1381-P1386 HydrophobicContact CG-CB 4.46Å
1387S76.1Confident88.1Confident101 Ų10149.3 Ų49.371%0.70626%0.255SS*.EExtended strand (participates in β ladder)trans-82-23.1171.179.70000112.7D1385 R1389D1385-S1387 PolarHBondContact O-N 3.41Å; D1385-S1387 WeakPolarHBondContact OD1-CA 3.23Å; D1385-S1387 VanDerWaalsContact OD1-CB 3.27Å; D1385-S1387 WeakPolarHBondContact OD1-CB 3.27Å; D1385-S1387 PolarHBondContact OD1-N 3.48Å; D1385-S1387 PolarHBondContact OD1-OG 3.49Å; D1385-S1387 PolarHBondContact OD2-OG 2.94Å; S1387-R1389 PolarHBondContact O-N 3.36Å
1388R83.6Confident88.2Confident70 Ų7049 Ų4926%0.26426%0.256SS..EExtended strand (participates in β ladder)trans-83.691.1169.8-73.4168.861.2-149.8-2.6109.1L1359 T1360 E1365 F1381 I1382 D1385L1359-R1388 HydrophobicContact CD1-CB 4.39Å; L1359-R1388 VanDerWaalsContact CD1-O 3.27Å; L1359-R1388 WeakPolarHBondContact CD1-O 3.46Å; T1360-R1388 PolarHBondContact O-NH2 3.28Å; E1365-R1388 IonicContact OE1-CZ 3.8Å; E1365-R1388 IonicContact OE1-NH1 3.16Å; E1365-R1388 PolarHBondContact OE1-NH1 3.39Å; E1365-R1388 IonicContact OE1-NH2 3.33Å; E1365-R1388 PolarHBondContact OE1-NH2 2.91Å; E1365-R1388 IonicContact OE2-CZ 3.02Å; E1365-R1388 IonicContact OE2-NH1 2.75Å; E1365-R1388 IonicContact OE2-NH2 3.96Å; E1365-R1388 PolarHBondContact OE2-NH2 3.09Å; F1381-R1388 CarbonylContact C-O 3.43Å; F1381-R1388 WeakPolarHBondContact CA-O 3.37Å; F1381-R1388 WeakPolarHBondContact CB-O 3.47Å; I1382-R1388 HydrophobicContact CB-CB 4.47Å; I1382-R1388 HydrophobicContact CG1-CB 3.72Å; I1382-R1388 PolarHBondContact N-O 2.85Å; D1385-R1388 HydrophobicContact CB-CB 4.47Å; D1385-R1388 HydrophobicContact CB-CG 4.47Å; D1385-R1388 PolarHBondContact O-N 3.13Å; D1385-R1388 WeakPolarHBondContact OD2-CD 3.42Å; D1385-R1388 WeakPolarHBondContact OD2-CG 3.46Å
1389R89.6Confident88Confident140 Ų14051.1 Ų51.153%0.52826%0.263SS..EExtended strand (participates in β ladder)trans-118.2143.4175.8168.4175.8173.71600.1110.6I1370 E1379 G1380 F1381 S1387I1370-R1389 HydrophobicContact CD1-CB 4.43Å; I1370-R1389 HydrophobicContact CD1-CG 3.58Å; E1379-R1389 VanDerWaalsContact CD-NE 3.3Å; E1379-R1389 IonicContact OE1-CZ 3.09Å; E1379-R1389 IonicContact OE1-NE 2.67Å; E1379-R1389 PolarHBondContact OE1-NE 3.16Å; E1379-R1389 IonicContact OE1-NH2 2.75Å; E1379-R1389 PolarHBondContact OE1-NH2 3.03Å; E1379-R1389 IonicContact OE2-CZ 2.83Å; E1379-R1389 IonicContact OE2-NE 2.8Å; E1379-R1389 PolarHBondContact OE2-NE 3.49Å; E1379-R1389 IonicContact OE2-NH2 3.74Å; E1379-R1389 PolarHBondContact OE2-NH2 3.31Å; G1380-R1389 CarbonylContact O-C 3.08Å; G1380-R1389 VanDerWaalsContact O-CA 3.26Å; G1380-R1389 WeakPolarHBondContact O-CA 3.36Å; F1381-R1389 HydrophobicContact CB-CB 4.16Å; S1387-R1389 PolarHBondContact O-N 3.36Å
1390G90.2Very high87.4Confident2 Ų252.4 Ų52.42%0.02127%0.271CS..EExtended strand (participates in β ladder)trans169.8-172.6171.400000114.2D1357 E1379 G1380D1357-G1390 CarbonylContact O-C 3.51Å; D1357-G1390 WeakPolarHBondContact O-CA 3.43Å; E1379-G1390 CarbonylContact C-O 3.55Å; E1379-G1390 WeakPolarHBondContact CA-O 3.5Å; G1380-G1390 PolarHBondContact N-O 3.5Å; G1380-G1390 PolarHBondContact O-N 2.89Å
1391M92.1Very high86.3Confident26 Ų2656.5 Ų56.513%0.12830%0.3CS..EExtended strand (participates in β ladder)trans-79.5127.4177.7-63.7-55.9-52.600112.6D1357 E1358 L1359 P1373 W1377 W1378 E1379D1357-M1391 WeakPolarHBondContact O-CG 3.4Å; D1357-M1391 PolarHBondContact O-N 3.31Å; E1358-M1391 CarbonylContact C-O 3.55Å; E1358-M1391 VanDerWaalsContact CA-O 3.25Å; E1358-M1391 WeakPolarHBondContact CA-O 3.4Å; E1358-M1391 WeakPolarHBondContact CB-O 3.44Å; E1358-M1391 HydrophobicContact CG-CB 4.16Å; L1359-M1391 PolarHBondContact N-O 3.29Å; P1373-M1391 HydrophobicContact CG-CE 3.41Å; P1373-M1391 VanDerWaalsContact CG-CE 3.41Å; P1373-M1391 HydrophobicContact CG-SD 3.61Å; W1377-M1391 HydrophobicContact CB-CE 3.6Å; W1377-M1391 HydrophobicContact CE3-CB 4.02Å; W1377-M1391 VanDerWaalsContact O-CE 3.31Å; W1377-M1391 WeakPolarHBondContact O-CE 3.41Å; W1378-M1391 CarbonylContact O-C 3.5Å; W1378-M1391 VanDerWaalsContact O-CA 3.28Å; W1378-M1391 WeakPolarHBondContact O-CA 3.41Å; W1378-M1391 WeakPolarHBondContact O-CE 3.44Å; E1379-M1391 HydrophobicContact CB-SD 3.62Å; E1379-M1391 HydrophobicContact CG-SD 3.94Å
1392F92.4Very high84.5Confident0 Ų061.2 Ų61.20%033%0.327CS..EExtended strand (participates in β ladder)trans-123.8145.4175.662.5-90.4000111.7L1345 L1359 F1361 I1367 L1369 W1377 W1378 V1397L1345-F1392 HydrophobicContact CD1-CE1 4.43Å; L1345-F1392 HydrophobicContact CD1-CE2 3.75Å; L1345-F1392 HydrophobicContact CD1-CZ 3.37Å; L1359-F1392 HydrophobicContact CB-CB 4.34Å; L1359-F1392 HydrophobicContact CD2-CB 4.33Å; L1359-F1392 HydrophobicContact CD2-CD1 4Å; F1361-F1392 HydrophobicContact CD1-CB 3.93Å; F1361-F1392 HydrophobicContact CE1-CB 3.21Å; F1361-F1392 HydrophobicContact CE1-CG 4.36Å; F1361-F1392 HydrophobicContact CZ-CB 3.85Å; I1367-F1392 HydrophobicContact CD1-CB 4.34Å; I1367-F1392 HydrophobicContact CD1-CD1 4.28Å; I1367-F1392 HydrophobicContact CD1-CD2 4.25Å; I1367-F1392 HydrophobicContact CD1-CG 4.04Å; I1367-F1392 HydrophobicContact CG2-CD1 3.86Å; I1367-F1392 HydrophobicContact CG2-CE1 3.62Å; I1367-F1392 HydrophobicContact CG2-CZ 4.22Å; L1369-F1392 HydrophobicContact CD1-CE1 4.38Å; L1369-F1392 HydrophobicContact CD1-CZ 4.03Å; W1377-F1392 CarbonylContact C-O 3.49Å; W1377-F1392 WeakPolarHBondContact CA-O 3.36Å; W1378-F1392 HydrophobicContact CB-CD2 4.47Å; W1378-F1392 HydrophobicContact CB-CE1 3.88Å; W1378-F1392 HydrophobicContact CB-CE2 3.82Å; W1378-F1392 HydrophobicContact CB-CZ 3.49Å; W1378-F1392 VanDerWaalsContact CB-CZ 3.49Å; W1378-F1392 AromaticContact CE3-CE2 4Å; W1378-F1392 HydrophobicContact CE3-CE2 4Å; W1378-F1392 HydrophobicContact CE3-CZ 4Å; W1378-F1392 HydrophobicContact CG-CZ 4.43Å; W1378-F1392 PolarHBondContact N-O 2.9Å; W1378-F1392 WeakPolarHBondContact O-CD1 3.33Å; W1378-F1392 WeakPolarHBondContact O-CE1 3.2Å; W1378-F1392 PolarHBondContact O-N 2.7Å; F1392-V1397 HydrophobicContact CD2-CG1 3.63Å; F1392-V1397 HydrophobicContact CD2-CG2 4.29Å; F1392-V1397 HydrophobicContact CE2-CB 4.33Å; F1392-V1397 HydrophobicContact CE2-CG1 3.65Å; F1392-V1397 HydrophobicContact CE2-CG2 3.8Å
1393P90.9Very high81.9Confident12 Ų1271.9 Ų71.98%0.07839%0.385CS..EExtended strand (participates in β ladder)trans-73.7132.5178.725-28.6000111.9D1376 W1377 T1395 Y1396D1376-P1393 CarbonylContact O-C 3.58Å; D1376-P1393 VanDerWaalsContact O-CA 3.22Å; D1376-P1393 WeakPolarHBondContact O-CA 3.35Å; W1377-P1393 HydrophobicContact CD2-CB 4.29Å; W1377-P1393 HydrophobicContact CE3-CB 4.37Å; W1377-P1393 HydrophobicContact CH2-CG 4.44Å; W1377-P1393 HydrophobicContact CZ3-CG 4.33Å; P1393-T1395 PolarHBondContact O-N 3.02Å; P1393-Y1396 HydrophobicContact CB-CD2 4.23Å; P1393-Y1396 HydrophobicContact CG-CD1 4.02Å; P1393-Y1396 HydrophobicContact CG-CD2 3.74Å; P1393-Y1396 HydrophobicContact CG-CE1 4.43Å; P1393-Y1396 HydrophobicContact CG-CE2 4.2Å; P1393-Y1396 HydrophobicContact CG-CG 3.65Å; P1393-Y1396 WeakPolarHBondContact O-CB 3.4Å; P1393-Y1396 PolarHBondContact O-N 2.92Å
1394V89.6Confident81.7Confident16 Ų1670.7 Ų70.710%0.09738%0.381CS..G310 helixtrans-63.8-27.3-174179.40000112.5I1336 N1375 D1376 W1378 Y1396 V1397I1336-V1394 HydrophobicContact CG2-CG1 3.6Å; N1375-V1394 WeakPolarHBondContact O-CG2 3.46Å; D1376-V1394 PolarHBondContact O-N 3.12Å; W1378-V1394 HydrophobicContact CB-CG2 4.25Å; W1378-V1394 VanDerWaalsContact CD1-CG2 3.47Å; W1378-V1394 HydrophobicContact CD2-CG1 4.39Å; W1378-V1394 HydrophobicContact CD2-CG2 3.46Å; W1378-V1394 VanDerWaalsContact CD2-CG2 3.46Å; W1378-V1394 VanDerWaalsContact CE2-CG2 3.45Å; W1378-V1394 HydrophobicContact CE3-CG1 4.48Å; W1378-V1394 HydrophobicContact CE3-CG2 4.12Å; W1378-V1394 HydrophobicContact CG-CG2 3.49Å; W1378-V1394 VanDerWaalsContact CG-CG2 3.49Å; W1378-V1394 HydrophobicContact CH2-CG1 3.99Å; W1378-V1394 HydrophobicContact CZ2-CG1 3.87Å; W1378-V1394 HydrophobicContact CZ2-CG2 4.12Å; W1378-V1394 HydrophobicContact CZ3-CG1 4.29Å; V1394-Y1396 PolarHBondContact O-N 2.94Å; V1394-V1397 VanDerWaalsContact O-CG2 3.26Å; V1394-V1397 WeakPolarHBondContact O-CG2 2.99Å; V1394-V1397 PolarHBondContact O-N 2.76Å
1395T88Confident81.9Confident90 Ų9069.3 Ų69.355%0.55237%0.365SS*.G310 helixtrans-71.4-13.4174.556.60000113.7P1393P1393-T1395 PolarHBondContact O-N 3.02Å
1396Y89.4Confident82Confident68 Ų6870.2 Ų70.227%0.26737%0.37SS..G310 helixtrans-95.68.1179-77.8-141.5000113.1A1347 L1348 Y1349 D1350 C1351 F1361 P1393 V1394A1347-Y1396 CarbonylContact C-O 3.55Å; A1347-Y1396 WeakPolarHBondContact CA-O 3.42Å; L1348-Y1396 PolarHBondContact N-O 3.12Å; Y1349-Y1396 HydrophobicContact CD2-CD1 4.27Å; Y1349-Y1396 AromaticContact CD2-CD2 3.75Å; Y1349-Y1396 HydrophobicContact CD2-CD2 3.75Å; Y1349-Y1396 HydrophobicContact CD2-CE2 4.15Å; Y1349-Y1396 AromaticContact CD2-CG 3.81Å; Y1349-Y1396 HydrophobicContact CD2-CG 3.81Å; Y1349-Y1396 HydrophobicContact CG-CG 4.47Å; D1350-Y1396 WeakPolarHBondContact O-CE1 3.44Å; C1351-Y1396 HydrophobicContact CB-CD1 3.83Å; C1351-Y1396 HydrophobicContact CB-CE1 4.04Å; F1361-Y1396 HydrophobicContact CE2-CD1 4.32Å; F1361-Y1396 HydrophobicContact CZ-CD1 4.09Å; F1361-Y1396 HydrophobicContact CZ-CG 4.4Å; P1393-Y1396 HydrophobicContact CB-CD2 4.23Å; P1393-Y1396 HydrophobicContact CG-CD1 4.02Å; P1393-Y1396 HydrophobicContact CG-CD2 3.74Å; P1393-Y1396 HydrophobicContact CG-CE1 4.43Å; P1393-Y1396 HydrophobicContact CG-CE2 4.2Å; P1393-Y1396 HydrophobicContact CG-CG 3.65Å; P1393-Y1396 WeakPolarHBondContact O-CB 3.4Å; P1393-Y1396 PolarHBondContact O-N 2.92Å; V1394-Y1396 PolarHBondContact O-N 2.94Å
1397V90.6Very high82Confident0 Ų069.1 Ų69.10%036%0.358CS..EExtended strand (participates in β ladder)trans-128.4160.8-179.7-68.80000114.1I1336 L1345 E1346 L1348 I1367 F1392 V1394I1336-V1397 WeakPolarHBondContact CD1-O 3.4Å; L1345-V1397 HydrophobicContact CB-CB 4.12Å; L1345-V1397 HydrophobicContact CB-CG1 4.18Å; L1345-V1397 HydrophobicContact CD1-CG2 4.4Å; E1346-V1397 CarbonylContact O-C 3.42Å; E1346-V1397 WeakPolarHBondContact O-CA 3.28Å; L1348-V1397 VanDerWaalsContact CD1-O 3.32Å; L1348-V1397 WeakPolarHBondContact CD1-O 3.1Å; I1367-V1397 HydrophobicContact CD1-CG1 3.81Å; F1392-V1397 HydrophobicContact CD2-CG1 3.63Å; F1392-V1397 HydrophobicContact CD2-CG2 4.29Å; F1392-V1397 HydrophobicContact CE2-CB 4.33Å; F1392-V1397 HydrophobicContact CE2-CG1 3.65Å; F1392-V1397 HydrophobicContact CE2-CG2 3.8Å; V1394-V1397 VanDerWaalsContact O-CG2 3.26Å; V1394-V1397 WeakPolarHBondContact O-CG2 2.99Å; V1394-V1397 PolarHBondContact O-N 2.76Å
1398K90.1Very high82.4Confident65 Ų6567.1 Ų67.128%0.28334%0.336SS..EExtended strand (participates in β ladder)trans-133.8129.7169.4157.6178.5159.8-72.60108.9L1345 E1346 L1348 L1400L1345-K1398 CarbonylContact C-O 3.55Å; L1345-K1398 WeakPolarHBondContact CA-O 3.46Å; E1346-K1398 PolarHBondContact N-O 2.91Å; E1346-K1398 PolarHBondContact O-N 2.62Å; E1346-K1398 IonicContact OE2-NZ 2.86Å; E1346-K1398 PolarHBondContact OE2-NZ 3.23Å; L1348-K1398 HydrophobicContact CD1-CB 4.14Å; L1348-K1398 HydrophobicContact CD2-CB 3.74Å; L1348-K1398 HydrophobicContact CD2-CD 4.3Å; L1348-K1398 HydrophobicContact CG-CB 3.95Å; K1398-L1400 PolarHBondContact O-N 2.67Å
1399R88.8Confident82.3Confident65 Ų6566.9 Ų66.925%0.24534%0.341CS..EExtended strand (participates in β ladder)trans-57.5127.3172.5-160.5179-173.3-117.2-6.1110.4S1335 C1339 D1343 L1345S1335-R1399 WeakPolarHBondContact O-CD 2.76Å; C1339-R1399 VanDerWaalsContact SG-CD 3.55Å; C1339-R1399 VanDerWaalsContact SG-CG 3.57Å; D1343-R1399 IonicContact OD1-NH2 2.68Å; D1343-R1399 PolarHBondContact OD1-NH2 3.08Å; D1343-R1399 IonicContact OD2-CZ 4Å; D1343-R1399 IonicContact OD2-NE 2.7Å; D1343-R1399 PolarHBondContact OD2-NE 3.26Å; D1343-R1399 IonicContact OD2-NH2 3Å; D1343-R1399 PolarHBondContact OD2-NH2 3.25Å; L1345-R1399 HydrophobicContact CD2-CB 4.35Å; L1345-R1399 HydrophobicContact CD2-CG 4.39Å
1400L79.3Confident81.8Confident60 Ų6061.7 Ų61.731%0.31433%0.328SS..PPolyproline II helixtrans-72139.9163.4-73.4176.2000108.9L1344 E1346 I1366 K1398L1344-L1400 HydrophobicContact CB-CB 4.35Å; L1344-L1400 HydrophobicContact CB-CD1 3.96Å; L1344-L1400 PolarHBondContact O-N 3.31Å; E1346-L1400 HydrophobicContact CB-CD2 4.14Å; E1346-L1400 HydrophobicContact CB-CG 4.29Å; I1366-L1400 HydrophobicContact CD1-CD1 3.77Å; I1366-L1400 HydrophobicContact CG1-CD1 4.21Å; I1366-L1400 HydrophobicContact CG2-CD1 3.93Å; K1398-L1400 PolarHBondContact O-N 2.67Å
1401S71.5Confident81.2Confident87 Ų8766.3 Ų66.361%0.60835%0.351SS*.PPolyproline II helixtrans-94.2138.9172.653.40000109.7N1403S1401-N1403 PolarHBondContact O-N 3.01Å
1402D55.5Low80.2Confident149 Ų14969.7 Ų69.780%0.79737%0.37SS*.  trans-61.789.8-178.7-50.8-68.2000112.8
1403N36.7Very low79.1Confident224 Ų22476 Ų76100%1.19840%0.404SS*.  trans-158.20174.2-95-29000109.2S1401S1401-N1403 PolarHBondContact O-N 3.01Å

Retrieved 1,403 of 1,403 residues in 1249.1 ms (Link to these results)

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