G4VK44_SCHMA Loading...

Protein-L-isoaspartate O-methyltransferase AlphaSync

AlphaFold DB , UniProt , Accession G4VK44, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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
1M51Low84.3Confident174 Ų17476.5 Ų76.586%0.85741%0.405SS*.  0-200-78.4-169.1-77.900114W3 K4M1-W3 PolarHBondContact O-N 3.39Å; M1-K4 PolarHBondContact O-N 2.81Å
2A56.7Low85.5Confident8 Ų876.4 Ų76.47%0.06640%0.401CS..THydrogen-bonded Turntrans-62.613.1-17500000117.9H63 Y67A2-H63 HydrophobicContact CB-CB 3.82Å; A2-H63 PolarHBondContact O-CE1 3.28Å; A2-H63 VanDerWaalsContact O-CE1 3.28Å; A2-H63 PolarHBondContact O-ND1 3.34Å; A2-Y67 HydrophobicContact CB-CE2 4.38Å
3W65Low86.5Confident195 Ų19570.5 Ų70.574%0.73937%0.37SS*.THydrogen-bonded Turntrans-116.5-0.5179.8-45.170.8000110.7M1M1-W3 PolarHBondContact O-N 3.39Å
4K80.8Confident87.3Confident172 Ų17265.6 Ų65.675%0.74834%0.344SS*.SBendtrans-110.514.5-175.3-62.3-168.4176.8-172.30112.6M1 N20M1-K4 PolarHBondContact O-N 2.81Å; K4-N20 PolarHBondContact O-ND2 3.34Å
5S94.8Very high88Confident0 Ų064.9 Ų64.90%034%0.341CS..  trans-99.84.1-176.2-27.60000113.7L13 N16 N20 D48S5-L13 VanDerWaalsContact O-CD1 3.23Å; S5-L13 WeakPolarHBondContact O-CD1 3.36Å; S5-N16 WeakPolarHBondContact O-CB 3.45Å; S5-N20 PolarHBondContact OG-ND2 3.45Å; S5-D48 WeakPolarHBondContact CB-OD2 3.03Å; S5-D48 PolarHBondContact OG-OD2 3.22Å
6S96.5Very high88.7Confident49 Ų4961.5 Ų61.534%0.34332%0.323SS..  trans-51.8149.7175.4-55.70000111.9N16 Y46 D48S6-N16 PolarHBondContact O-ND2 3.14Å; S6-Y46 WeakPolarHBondContact CA-O 3.24Å; S6-D48 PolarHBondContact OG-N 3.45Å
7G95.8Very high89.2Confident16 Ų1657.9 Ų57.917%0.16530%0.304CS..  trans-137.7162.1174.500000111.8T9 Y46G7-T9 VanDerWaalsContact C-N 3.29Å; G7-Y46 PolarHBondContact N-O 2.91Å; G7-Y46 VanDerWaalsContact O-CB 3.22Å; G7-Y46 WeakPolarHBondContact O-CB 3.4Å
8S94.5Very high89.7Confident96 Ų9658.9 Ų58.967%0.67131%0.306SS*.SBendtrans-76.2-20.5172.566.10000112.8E12S8-E12 WeakPolarHBondContact CB-OE2 3.46Å; S8-E12 PolarHBondContact N-OE2 2.61Å; S8-E12 PolarHBondContact OG-OE2 2.89Å
9T96.7Very high90Very high70 Ų7064.5 Ų64.543%0.42932%0.323SS..SBendtrans-131.6162.2176.564.40000110.7G7 A11 E12 L13G7-T9 VanDerWaalsContact C-N 3.29Å; T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 2.9Å; T9-E12 PolarHBondContact O-N 3.35Å; T9-E12 WeakPolarHBondContact OG1-CB 3.49Å; T9-E12 PolarHBondContact OG1-N 3.11Å; T9-L13 PolarHBondContact O-N 2.73Å
10H97.5Very high90.3Very high17 Ų1763.3 Ų63.38%0.07932%0.317CS..Hα-helixtrans-52.8-50.3173174.657.4000112.2E12 L13 I14 M32 L33 V35 D36 Y46H10-E12 VanDerWaalsContact C-N 3.3Å; H10-E12 PolarHBondContact O-N 3.32Å; H10-L13 WeakPolarHBondContact O-CB 3.39Å; H10-L13 PolarHBondContact O-N 2.81Å; H10-I14 WeakPolarHBondContact O-CG1 3.13Å; H10-I14 PolarHBondContact O-N 2.92Å; H10-I14 VanDerWaalsContact O-N 3.09Å; H10-M32 PolarHBondContact CE1-O 3.08Å; H10-M32 PolarHBondContact NE2-O 3.4Å; H10-M32 VanDerWaalsContact NE2-O 3.13Å; H10-L33 PolarHBondContact NE2-O 2.65Å; H10-V35 PolarHBondContact CE1-O 3.21Å; H10-V35 VanDerWaalsContact CE1-O 3.24Å; H10-D36 IonicContact CG-OD1 2.73Å; H10-D36 IonicContact CG-OD2 2.91Å; H10-D36 IonicContact ND1-OD1 3.12Å; H10-Y46 HydrophobicContact CB-CD1 4.02Å; H10-Y46 HydrophobicContact CB-CE1 3.61Å
11A98.2Very high90.6Very high44 Ų4470.8 Ų70.836%0.36434%0.342SS..Hα-helixtrans-61.5-38.6-18000000112.2T9 N15 L33T9-A11 VanDerWaalsContact C-N 3.34Å; T9-A11 PolarHBondContact O-N 2.9Å; A11-N15 VanDerWaalsContact O-CB 3.31Å; A11-N15 WeakPolarHBondContact O-CB 3.49Å; A11-N15 PolarHBondContact O-N 2.78Å; A11-N15 PolarHBondContact O-ND2 2.71Å; A11-L33 HydrophobicContact CB-CD2 4.36Å
12E98.1Very high92.7Very high76 Ų7662.7 Ų62.736%0.35530%0.302SS..Hα-helixtrans-65.3-45.1176.2-170.4-178-179.100111.8S8 T9 H10 I14 N15 N16S8-E12 WeakPolarHBondContact CB-OE2 3.46Å; S8-E12 PolarHBondContact N-OE2 2.61Å; S8-E12 PolarHBondContact OG-OE2 2.89Å; T9-E12 PolarHBondContact O-N 3.35Å; T9-E12 WeakPolarHBondContact OG1-CB 3.49Å; T9-E12 PolarHBondContact OG1-N 3.11Å; H10-E12 VanDerWaalsContact C-N 3.3Å; H10-E12 PolarHBondContact O-N 3.32Å; E12-I14 PolarHBondContact O-N 3.5Å; E12-N15 PolarHBondContact O-N 2.8Å; E12-N16 VanDerWaalsContact O-CB 3.28Å; E12-N16 WeakPolarHBondContact O-CB 3.4Å; E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 2.72Å; E12-N16 PolarHBondContact O-OD1 2.98Å
13L98.3Very high94.7Very high0 Ų062.4 Ų62.40%030%0.3CS..Hα-helixtrans-53.8-51.6174.7165.963000111.1S5 T9 H10 N15 N16 L17 D48 P62S5-L13 VanDerWaalsContact O-CD1 3.23Å; S5-L13 WeakPolarHBondContact O-CD1 3.36Å; T9-L13 PolarHBondContact O-N 2.73Å; H10-L13 WeakPolarHBondContact O-CB 3.39Å; H10-L13 PolarHBondContact O-N 2.81Å; L13-N15 PolarHBondContact O-N 2.71Å; L13-N16 PolarHBondContact O-N 3.27Å; L13-L17 HydrophobicContact CD1-CD1 4.06Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.89Å; L13-D48 HydrophobicContact CD1-CB 4.4Å; L13-P62 HydrophobicContact CD1-CB 3.88Å; L13-P62 HydrophobicContact CD1-CG 3.97Å; L13-P62 HydrophobicContact CD2-CB 3.93Å; L13-P62 HydrophobicContact CD2-CG 3.68Å; L13-P62 HydrophobicContact CG-CB 4.31Å; L13-P62 HydrophobicContact CG-CG 4.41Å
14I98.6Very high96.2Very high1 Ų157 Ų571%0.00529%0.291CS..Hα-helixtrans-67.3-39.3-177.2-54.9-51.6000111.7H10 E12 N16 L17 F18 I23 R29 M32 L33H10-I14 WeakPolarHBondContact O-CG1 3.13Å; H10-I14 PolarHBondContact O-N 2.92Å; H10-I14 VanDerWaalsContact O-N 3.09Å; E12-I14 PolarHBondContact O-N 3.5Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.97Å; I14-L17 HydrophobicContact CD1-CD1 4.11Å; I14-L17 PolarHBondContact O-N 3.29Å; I14-F18 PolarHBondContact O-N 3.2Å; I14-I23 HydrophobicContact CG2-CD1 3.93Å; I14-R29 HydrophobicContact CG2-CG 4.07Å; I14-M32 HydrophobicContact CD1-CB 3.76Å; I14-M32 HydrophobicContact CD1-CE 3.94Å; I14-M32 HydrophobicContact CG1-CB 4.31Å; I14-M32 HydrophobicContact CG2-CB 4.22Å; I14-L33 HydrophobicContact CB-CD2 3.77Å; I14-L33 HydrophobicContact CB-CG 4.1Å; I14-L33 HydrophobicContact CG1-CD2 4.12Å; I14-L33 HydrophobicContact CG1-CG 4.47Å; I14-L33 HydrophobicContact CG2-CD2 4.02Å; I14-L33 HydrophobicContact CG2-CG 3.77Å
15N98.1Very high97.1Very high56 Ų5649.7 Ų49.730%0.29926%0.262SS..Hα-helixtrans-67.2-33.1176.2-73.1-35000112.5A11 E12 L13 F18 R19 R29A11-N15 VanDerWaalsContact O-CB 3.31Å; A11-N15 WeakPolarHBondContact O-CB 3.49Å; A11-N15 PolarHBondContact O-N 2.78Å; A11-N15 PolarHBondContact O-ND2 2.71Å; E12-N15 PolarHBondContact O-N 2.8Å; L13-N15 PolarHBondContact O-N 2.71Å; N15-F18 PolarHBondContact O-N 3.36Å; N15-R19 VanDerWaalsContact O-CB 3.31Å; N15-R19 WeakPolarHBondContact O-CB 3.43Å; N15-R19 PolarHBondContact O-N 2.89Å; N15-R29 PolarHBondContact OD1-NE 3.4Å; N15-R29 PolarHBondContact OD1-NH2 2.95Å
16N98.2Very high97.2Very high10 Ų1056.3 Ų56.35%0.05329%0.293CS..Hα-helixtrans-69.6-41.3175.1-68.7-5000111.2S5 S6 E12 L13 I14 F18 R19 N20S5-N16 WeakPolarHBondContact O-CB 3.45Å; S6-N16 PolarHBondContact O-ND2 3.14Å; E12-N16 VanDerWaalsContact O-CB 3.28Å; E12-N16 WeakPolarHBondContact O-CB 3.4Å; E12-N16 PolarHBondContact O-N 3.16Å; E12-N16 PolarHBondContact O-ND2 2.72Å; E12-N16 PolarHBondContact O-OD1 2.98Å; L13-N16 PolarHBondContact O-N 3.27Å; I14-N16 VanDerWaalsContact C-N 3.32Å; I14-N16 PolarHBondContact O-N 2.97Å; N16-F18 VanDerWaalsContact C-N 3.3Å; N16-F18 PolarHBondContact O-N 2.76Å; N16-R19 VanDerWaalsContact CG-NH2 3.25Å; N16-R19 PolarHBondContact O-N 3.34Å; N16-R19 VanDerWaalsContact OD1-CZ 3.23Å; N16-R19 PolarHBondContact OD1-NH1 2.81Å; N16-R19 PolarHBondContact OD1-NH2 3.32Å; N16-N20 VanDerWaalsContact O-CB 3.26Å; N16-N20 WeakPolarHBondContact O-CB 3.49Å; N16-N20 VanDerWaalsContact O-CG 3.23Å; N16-N20 PolarHBondContact O-N 3.29Å; N16-N20 PolarHBondContact O-ND2 3.25Å
17L98.2Very high97.3Very high0 Ų058.3 Ų58.30%030%0.299CS..Hα-helixtrans-59.1-41.6172.7-74.1166.6000111.7L13 I14 R21 V22 I23 M32 P62 H63L13-L17 HydrophobicContact CD1-CD1 4.06Å; L13-L17 HydrophobicContact CD1-CG 4.26Å; L13-L17 HydrophobicContact CG-CD1 4.27Å; L13-L17 WeakPolarHBondContact O-CG 3.41Å; L13-L17 PolarHBondContact O-N 2.89Å; I14-L17 HydrophobicContact CD1-CD1 4.11Å; I14-L17 PolarHBondContact O-N 3.29Å; L17-R21 PolarHBondContact O-N 3.34Å; L17-V22 HydrophobicContact CB-CB 4.42Å; L17-V22 HydrophobicContact CD2-CB 3.93Å; L17-V22 HydrophobicContact CD2-CG1 3.84Å; L17-V22 HydrophobicContact CD2-CG2 4.22Å; L17-V22 WeakPolarHBondContact O-CB 3.48Å; L17-V22 PolarHBondContact O-N 2.81Å; L17-I23 HydrophobicContact CB-CD1 3.67Å; L17-I23 HydrophobicContact CB-CG1 3.98Å; L17-I23 HydrophobicContact CD1-CD1 4.15Å; L17-I23 PolarHBondContact O-N 2.98Å; L17-M32 HydrophobicContact CD1-CE 4.17Å; L17-P62 HydrophobicContact CD1-CB 3.85Å; L17-H63 HydrophobicContact CD2-CB 3.87Å
18F97.6Very high97.4Very high76 Ų7657.6 Ų57.633%0.33329%0.291SS..Hα-helixtrans-67.1-49175.8-173.2-106.7000112.3I14 N15 N16 N20 R21 I23 R29I14-F18 PolarHBondContact O-N 3.2Å; N15-F18 PolarHBondContact O-N 3.36Å; N16-F18 VanDerWaalsContact C-N 3.3Å; N16-F18 PolarHBondContact O-N 2.76Å; F18-N20 VanDerWaalsContact C-N 3.26Å; F18-N20 PolarHBondContact O-N 3.04Å; F18-R21 WeakPolarHBondContact O-CA 3.33Å; F18-R21 PolarHBondContact O-N 3.41Å; F18-I23 HydrophobicContact CB-CB 4.45Å; F18-I23 HydrophobicContact CD2-CB 4.25Å; F18-I23 HydrophobicContact CD2-CG2 4.05Å; F18-I23 WeakPolarHBondContact CD2-O 3.44Å; F18-R29 HydrophobicContact CD2-CB 4.36Å; F18-R29 HydrophobicContact CD2-CG 4.45Å
19R96.4Very high97.6Very high165 Ų16556.3 Ų56.362%0.62327%0.272SS*.Hα-helixtrans-59-37.7177.8-176.8172.762.6-129.4-0.3112.3N15 N16 R21N15-R19 VanDerWaalsContact O-CB 3.31Å; N15-R19 WeakPolarHBondContact O-CB 3.43Å; N15-R19 PolarHBondContact O-N 2.89Å; N16-R19 VanDerWaalsContact CG-NH2 3.25Å; N16-R19 PolarHBondContact O-N 3.34Å; N16-R19 VanDerWaalsContact OD1-CZ 3.23Å; N16-R19 PolarHBondContact OD1-NH1 2.81Å; N16-R19 PolarHBondContact OD1-NH2 3.32Å; R19-R21 PolarHBondContact O-N 3.26Å
20N96Very high97.7Very high41 Ų4156.6 Ų56.622%0.21927%0.271CS..THydrogen-bonded Turntrans-81.46.1177.4-67.1-21.2000113.5K4 S5 N16 F18 V22K4-N20 PolarHBondContact O-ND2 3.34Å; S5-N20 PolarHBondContact OG-ND2 3.45Å; N16-N20 VanDerWaalsContact O-CB 3.26Å; N16-N20 WeakPolarHBondContact O-CB 3.49Å; N16-N20 VanDerWaalsContact O-CG 3.23Å; N16-N20 PolarHBondContact O-N 3.29Å; N16-N20 PolarHBondContact O-ND2 3.25Å; F18-N20 VanDerWaalsContact C-N 3.26Å; F18-N20 PolarHBondContact O-N 3.04Å; N20-V22 HydrophobicContact CB-CG2 4.38Å; N20-V22 PolarHBondContact O-N 2.82Å
21R95.2Very high97.8Very high220 Ų22056.1 Ų56.183%0.8327%0.269SS*.THydrogen-bonded Turntrans59.226179-52.8-177.8-179.4-178.5-0.9114.4L17 F18 R19L17-R21 PolarHBondContact O-N 3.34Å; F18-R21 WeakPolarHBondContact O-CA 3.33Å; F18-R21 PolarHBondContact O-N 3.41Å; R19-R21 PolarHBondContact O-N 3.26Å
22V96Very high97.8Very high5 Ų554 Ų543%0.0325%0.252CS..SBendtrans-76.7-43.6167.8-1790000109.1L17 N20 H63 A66 Y67L17-V22 HydrophobicContact CB-CB 4.42Å; L17-V22 HydrophobicContact CD2-CB 3.93Å; L17-V22 HydrophobicContact CD2-CG1 3.84Å; L17-V22 HydrophobicContact CD2-CG2 4.22Å; L17-V22 WeakPolarHBondContact O-CB 3.48Å; L17-V22 PolarHBondContact O-N 2.81Å; N20-V22 HydrophobicContact CB-CG2 4.38Å; N20-V22 PolarHBondContact O-N 2.82Å; V22-H63 HydrophobicContact CG1-CB 3.69Å; V22-A66 HydrophobicContact CG1-CB 3.85Å; V22-Y67 HydrophobicContact CG1-CD1 4.49Å; V22-Y67 HydrophobicContact CG1-CD2 4.44Å; V22-Y67 HydrophobicContact CG1-CE1 4.14Å; V22-Y67 HydrophobicContact CG1-CE2 4.11Å
23I97.9Very high97.8Very high1 Ų152.9 Ų52.91%0.00525%0.248CC..  trans-95.8132.1163.8-57.6166.7000107.2I14 L17 F18 V28 R29 M32 A66I14-I23 HydrophobicContact CG2-CD1 3.93Å; L17-I23 HydrophobicContact CB-CD1 3.67Å; L17-I23 HydrophobicContact CB-CG1 3.98Å; L17-I23 HydrophobicContact CD1-CD1 4.15Å; L17-I23 PolarHBondContact O-N 2.98Å; F18-I23 HydrophobicContact CB-CB 4.45Å; F18-I23 HydrophobicContact CD2-CB 4.25Å; F18-I23 HydrophobicContact CD2-CG2 4.05Å; F18-I23 WeakPolarHBondContact CD2-O 3.44Å; I23-V28 HydrophobicContact CG1-CG1 4.25Å; I23-V28 HydrophobicContact CG2-CB 3.96Å; I23-V28 HydrophobicContact CG2-CG1 3.87Å; I23-R29 HydrophobicContact CG2-CB 3.89Å; I23-M32 HydrophobicContact CD1-SD 3.62Å; I23-M32 HydrophobicContact CG1-SD 4.18Å; I23-A66 HydrophobicContact CD1-CB 4.26Å; I23-A66 HydrophobicContact CG1-CB 3.55Å
24S97.2Very high97.8Very high81 Ų8154 Ų5457%0.56626%0.255SS*.  trans-118.1-24.5179.1660000112.8E70S24-E70 WeakPolarHBondContact CA-OE1 3.44Å; S24-E70 PolarHBondContact N-OE1 3.01Å; S24-E70 VanDerWaalsContact OG-CD 3.3Å; S24-E70 PolarHBondContact OG-OE1 3.13Å; S24-E70 VanDerWaalsContact OG-OE1 3.14Å; S24-E70 PolarHBondContact OG-OE2 3.41Å
25S98.4Very high97.8Very high20 Ų2053.9 Ų53.914%0.1426%0.255CS..  trans-103137.1-174.3-49.70000111.6I27 V28 R29 E70 K73S25-I27 VanDerWaalsContact C-N 3.27Å; S25-I27 PolarHBondContact O-N 2.8Å; S25-V28 PolarHBondContact O-N 3.12Å; S25-R29 PolarHBondContact O-N 2.91Å; S25-E70 WeakPolarHBondContact CB-OE1 3.44Å; S25-E70 PolarHBondContact N-OE1 3.08Å; S25-E70 PolarHBondContact OG-OE1 3.46Å; S25-E70 PolarHBondContact OG-OE2 3.41Å; S25-K73 WeakPolarHBondContact OG-CD 3.14Å; S25-K73 PolarHBondContact OG-NZ 3.32Å
26E98Very high97.8Very high138 Ų13853 Ų5365%0.64525%0.251SS*.Hα-helixtrans-60.6-37.8175.8-68.7-168.6175.600112.3V28 R29 N30E26-V28 PolarHBondContact O-N 2.76Å; E26-R29 PolarHBondContact O-N 3.06Å; E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.47Å; E26-N30 PolarHBondContact O-N 3.46Å; E26-N30 PolarHBondContact O-ND2 3.09Å
27I98.3Very high97.8Very high92 Ų9252.7 Ų52.747%0.47225%0.249SC..Hα-helixtrans-61.3-44.2178.1-171.362.9000111.7S25 N30 T31 M99S25-I27 VanDerWaalsContact C-N 3.27Å; S25-I27 PolarHBondContact O-N 2.8Å; I27-N30 PolarHBondContact O-N 2.79Å; I27-T31 WeakPolarHBondContact O-CB 3.29Å; I27-T31 PolarHBondContact O-N 2.95Å; I27-T31 PolarHBondContact O-OG1 3.12Å; I27-M99 HydrophobicContact CG1-CE 3.97Å; I27-M99 HydrophobicContact CG2-CE 4.39Å
28V98.8Very high97.8Very high0 Ų053.9 Ų53.90%026%0.261CS..Hα-helixtrans-66.3-43.5177.9175.10000110.3I23 S25 E26 N30 T31 M32 L69 E70 K73I23-V28 HydrophobicContact CG1-CG1 4.25Å; I23-V28 HydrophobicContact CG2-CB 3.96Å; I23-V28 HydrophobicContact CG2-CG1 3.87Å; S25-V28 PolarHBondContact O-N 3.12Å; E26-V28 PolarHBondContact O-N 2.76Å; V28-N30 PolarHBondContact O-N 2.83Å; V28-T31 PolarHBondContact O-N 3.42Å; V28-M32 HydrophobicContact CG1-CG 4.43Å; V28-M32 HydrophobicContact CG1-SD 4.07Å; V28-M32 WeakPolarHBondContact O-CB 3.43Å; V28-M32 WeakPolarHBondContact O-CG 3.3Å; V28-M32 PolarHBondContact O-N 2.93Å; V28-L69 HydrophobicContact CG1-CB 3.75Å; V28-L69 HydrophobicContact CG1-CD1 4.19Å; V28-L69 HydrophobicContact CG2-CB 4.06Å; V28-E70 HydrophobicContact CG1-CG 4.29Å; V28-E70 HydrophobicContact CG2-CG 4.21Å; V28-K73 HydrophobicContact CG2-CB 4.28Å
29R98.7Very high97.8Very high70 Ų7053.8 Ų53.826%0.26426%0.259SS..Hα-helixtrans-57.9-49.4175.9-177.8179.4170.9-114.80.3111.5I14 N15 F18 I23 S25 E26 M32 L33I14-R29 HydrophobicContact CG2-CG 4.07Å; N15-R29 PolarHBondContact OD1-NE 3.4Å; N15-R29 PolarHBondContact OD1-NH2 2.95Å; F18-R29 HydrophobicContact CD2-CB 4.36Å; F18-R29 HydrophobicContact CD2-CG 4.45Å; I23-R29 HydrophobicContact CG2-CB 3.89Å; S25-R29 PolarHBondContact O-N 2.91Å; E26-R29 PolarHBondContact O-N 3.06Å; R29-M32 PolarHBondContact O-N 3.27Å; R29-L33 HydrophobicContact CG-CD1 4.07Å; R29-L33 WeakPolarHBondContact O-CB 3.49Å; R29-L33 WeakPolarHBondContact O-CG 3.24Å; R29-L33 PolarHBondContact O-N 3.08Å
30N98.4Very high97.9Very high75 Ų7546 Ų4640%0.40123%0.229SC..Hα-helixtrans-68.3-38.5-177-67.3-14.4000111.9E26 I27 V28 L33 S34E26-N30 VanDerWaalsContact O-CB 3.3Å; E26-N30 WeakPolarHBondContact O-CB 3.47Å; E26-N30 PolarHBondContact O-N 3.46Å; E26-N30 PolarHBondContact O-ND2 3.09Å; I27-N30 PolarHBondContact O-N 2.79Å; V28-N30 PolarHBondContact O-N 2.83Å; N30-L33 PolarHBondContact O-N 2.73Å; N30-S34 WeakPolarHBondContact O-CB 3.34Å; N30-S34 PolarHBondContact O-N 2.96Å; N30-S34 VanDerWaalsContact O-N 3.09Å; N30-S34 PolarHBondContact O-OG 2.95Å
31T98.6Very high97.9Very high8 Ų844.4 Ų44.45%0.04922%0.222CC..Hα-helixtrans-59.9-53.1172.1-64.90000110.9I27 V28 L33 S34 V35 C95 L98 M99I27-T31 WeakPolarHBondContact O-CB 3.29Å; I27-T31 PolarHBondContact O-N 2.95Å; I27-T31 PolarHBondContact O-OG1 3.12Å; V28-T31 PolarHBondContact O-N 3.42Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.39Å; T31-S34 WeakPolarHBondContact O-CB 3.41Å; T31-S34 PolarHBondContact O-N 3.08Å; T31-V35 PolarHBondContact O-N 3.31Å; T31-C95 HydrophobicContact CG2-CB 3.72Å; T31-C95 VanDerWaalsContact CG2-O 3.3Å; T31-C95 WeakPolarHBondContact CG2-O 3.22Å; T31-L98 HydrophobicContact CG2-CB 4.44Å; T31-M99 HydrophobicContact CG2-CG 3.8Å; T31-M99 HydrophobicContact CG2-SD 4.05Å; T31-M99 VanDerWaalsContact OG1-CG 3.27Å; T31-M99 WeakPolarHBondContact OG1-CG 3.45Å
32M98.7Very high97.7Very high0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-66-32.7-178.9-67.9-17675.300112.3H10 I14 L17 I23 V28 R29 S34 V35 H65 A66 L69 Y91H10-M32 PolarHBondContact CE1-O 3.08Å; H10-M32 PolarHBondContact NE2-O 3.4Å; H10-M32 VanDerWaalsContact NE2-O 3.13Å; I14-M32 HydrophobicContact CD1-CB 3.76Å; I14-M32 HydrophobicContact CD1-CE 3.94Å; I14-M32 HydrophobicContact CG1-CB 4.31Å; I14-M32 HydrophobicContact CG2-CB 4.22Å; L17-M32 HydrophobicContact CD1-CE 4.17Å; I23-M32 HydrophobicContact CD1-SD 3.62Å; I23-M32 HydrophobicContact CG1-SD 4.18Å; V28-M32 HydrophobicContact CG1-CG 4.43Å; V28-M32 HydrophobicContact CG1-SD 4.07Å; V28-M32 WeakPolarHBondContact O-CB 3.43Å; V28-M32 WeakPolarHBondContact O-CG 3.3Å; V28-M32 PolarHBondContact O-N 2.93Å; R29-M32 PolarHBondContact O-N 3.27Å; M32-S34 VanDerWaalsContact C-N 3.25Å; M32-S34 PolarHBondContact O-N 3.48Å; M32-V35 PolarHBondContact O-N 3.25Å; M32-V35 VanDerWaalsContact O-O 3.09Å; M32-H65 HydrophobicContact CE-CB 4.29Å; M32-A66 HydrophobicContact CE-CB 4.22Å; M32-A66 HydrophobicContact SD-CB 3.8Å; M32-L69 HydrophobicContact CG-CD1 3.59Å; M32-L69 HydrophobicContact SD-CD1 4Å; M32-Y91 HydrophobicContact CE-CE1 4.49Å; M32-Y91 WeakPolarHBondContact CE-OH 3.41Å
33L98.4Very high97.4Very high51 Ų5142.7 Ų42.727%0.26723%0.227SC..Hα-helixtrans-62.8-31.9170.7-79.8170.1000112.4H10 A11 I14 R29 N30 T31H10-L33 PolarHBondContact NE2-O 2.65Å; A11-L33 HydrophobicContact CB-CD2 4.36Å; I14-L33 HydrophobicContact CB-CD2 3.77Å; I14-L33 HydrophobicContact CB-CG 4.1Å; I14-L33 HydrophobicContact CG1-CD2 4.12Å; I14-L33 HydrophobicContact CG1-CG 4.47Å; I14-L33 HydrophobicContact CG2-CD2 4.02Å; I14-L33 HydrophobicContact CG2-CG 3.77Å; R29-L33 HydrophobicContact CG-CD1 4.07Å; R29-L33 WeakPolarHBondContact O-CB 3.49Å; R29-L33 WeakPolarHBondContact O-CG 3.24Å; R29-L33 PolarHBondContact O-N 3.08Å; N30-L33 PolarHBondContact O-N 2.73Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.39Å
34S98.2Very high97Very high23 Ų2346.4 Ų46.416%0.16125%0.247CC..Hα-helixtrans-81.6-16.9-177.4-60.70000114.3N30 T31 M32 W126 S130 N132N30-S34 WeakPolarHBondContact O-CB 3.34Å; N30-S34 PolarHBondContact O-N 2.96Å; N30-S34 VanDerWaalsContact O-N 3.09Å; N30-S34 PolarHBondContact O-OG 2.95Å; T31-S34 WeakPolarHBondContact O-CB 3.41Å; T31-S34 PolarHBondContact O-N 3.08Å; M32-S34 VanDerWaalsContact C-N 3.25Å; M32-S34 PolarHBondContact O-N 3.48Å; S34-W126 PolarHBondContact O-NE1 3.5Å; S34-S130 PolarHBondContact O-OG 3.34Å; S34-N132 PolarHBondContact OG-ND2 2.64Å
35V98.5Very high96.9Very high0 Ų043.4 Ų43.40%023%0.226CC..SBendtrans-110.792175.7-1710000108.5H10 T31 M32 R37 F40 Y91 A94 L98 W126H10-V35 PolarHBondContact CE1-O 3.21Å; H10-V35 VanDerWaalsContact CE1-O 3.24Å; T31-V35 PolarHBondContact O-N 3.31Å; M32-V35 PolarHBondContact O-N 3.25Å; M32-V35 VanDerWaalsContact O-O 3.09Å; V35-R37 PolarHBondContact O-N 2.72Å; V35-R37 VanDerWaalsContact O-N 3.1Å; V35-F40 HydrophobicContact CG1-CD2 4.17Å; V35-F40 HydrophobicContact CG1-CE2 3.41Å; V35-F40 VanDerWaalsContact CG1-CE2 3.41Å; V35-F40 HydrophobicContact CG1-CZ 3.75Å; V35-Y91 HydrophobicContact CB-CE2 4.15Å; V35-Y91 HydrophobicContact CG1-CD2 3.8Å; V35-Y91 HydrophobicContact CG1-CE2 3.72Å; V35-Y91 WeakPolarHBondContact O-CE2 3.26Å; V35-A94 HydrophobicContact CG1-CB 4.16Å; V35-L98 HydrophobicContact CG2-CD1 3.54Å; V35-L98 HydrophobicContact CG2-CG 4.41Å; V35-W126 HydrophobicContact CG2-CH2 4.36Å; V35-W126 HydrophobicContact CG2-CZ2 3.8Å
36D98.3Very high96.8Very high38 Ų3845.5 Ų45.520%0.20323%0.232CC..  trans-65.5113.8177.6-169.1-28.4000109.9H10 G38 Y39 F40 Y46H10-D36 IonicContact CG-OD1 2.73Å; H10-D36 IonicContact CG-OD2 2.91Å; H10-D36 IonicContact ND1-OD1 3.12Å; D36-G38 PolarHBondContact O-N 3.32Å; D36-G38 VanDerWaalsContact O-N 3.11Å; D36-G38 WeakPolarHBondContact OD1-CA 3.46Å; D36-G38 PolarHBondContact OD1-N 3.26Å; D36-Y39 HydrophobicContact CB-CD2 3.77Å; D36-Y39 HydrophobicContact CB-CE2 3.71Å; D36-Y39 PolarHBondContact O-N 2.96Å; D36-Y39 VanDerWaalsContact O-N 3.14Å; D36-F40 WeakPolarHBondContact O-CD2 3.44Å; D36-Y46 WeakPolarHBondContact OD1-CE1 3.27Å; D36-Y46 PolarHBondContact OD1-OH 3.21Å
37R97.7Very high96.8Very high3 Ų342.1 Ų42.11%0.01122%0.216CC..G310 helixtrans-59.7-22.1-179.9-177171.6170.499.7-2.9112.5V35 Y39 F40 A41 S45 I59 S60 H65 Y91V35-R37 PolarHBondContact O-N 2.72Å; V35-R37 VanDerWaalsContact O-N 3.1Å; R37-Y39 PolarHBondContact O-N 2.84Å; R37-F40 PolarHBondContact O-N 3.36Å; R37-A41 HydrophobicContact CG-CB 4.49Å; R37-A41 PolarHBondContact O-N 2.95Å; R37-A41 VanDerWaalsContact O-N 3.14Å; R37-S45 WeakPolarHBondContact CD-O 3.47Å; R37-S45 WeakPolarHBondContact CG-O 3.5Å; R37-S45 PolarHBondContact NE-O 2.9Å; R37-I59 HydrophobicContact CG-CD1 4.32Å; R37-S60 VanDerWaalsContact CZ-O 3.23Å; R37-S60 PolarHBondContact NH1-O 2.92Å; R37-S60 PolarHBondContact NH2-O 3.48Å; R37-H65 PolarHBondContact NH1-CE1 2.94Å; R37-H65 PolarHBondContact NH1-ND1 3.47Å; R37-H65 VanDerWaalsContact NH1-ND1 3.19Å; R37-Y91 HydrophobicContact CB-CD2 4.28Å; R37-Y91 HydrophobicContact CB-CE2 3.79Å; R37-Y91 HydrophobicContact CG-CD2 4.4Å; R37-Y91 HydrophobicContact CG-CE2 4.26Å
38G97.8Very high96.7Very high25 Ų2538 Ų3826%0.25820%0.195SC..G310 helixtrans-54.3-31.2173.900000114D36 F40D36-G38 PolarHBondContact O-N 3.32Å; D36-G38 VanDerWaalsContact O-N 3.11Å; D36-G38 WeakPolarHBondContact OD1-CA 3.46Å; D36-G38 PolarHBondContact OD1-N 3.26Å; G38-F40 VanDerWaalsContact C-N 3.32Å
39Y97.9Very high96.5Very high74 Ų7442.2 Ų42.229%0.2921%0.211SC..G310 helixtrans-79.7-12177.2-59.7-60.2000114.2D36 R37 N122 N125 W126 H129D36-Y39 HydrophobicContact CB-CD2 3.77Å; D36-Y39 HydrophobicContact CB-CE2 3.71Å; D36-Y39 PolarHBondContact O-N 2.96Å; D36-Y39 VanDerWaalsContact O-N 3.14Å; R37-Y39 PolarHBondContact O-N 2.84Å; Y39-N122 VanDerWaalsContact O-CB 3.29Å; Y39-N122 WeakPolarHBondContact O-CB 3.44Å; Y39-N122 VanDerWaalsContact O-CG 3.29Å; Y39-N122 PolarHBondContact O-OD1 3.34Å; Y39-N125 HydrophobicContact CD1-CB 4.41Å; Y39-W126 HydrophobicContact CD2-CB 4.04Å; Y39-W126 AromaticContact CD2-CD1 3.93Å; Y39-W126 HydrophobicContact CD2-CG 4.4Å; Y39-W126 HydrophobicContact CG-CB 4.26Å; Y39-H129 HydrophobicContact CE1-CB 3.91Å; Y39-H129 HydrophobicContact CE2-CB 4.26Å; Y39-H129 WeakPolarHBondContact OH-CB 3.35Å
40F98.5Very high96.3Very high0 Ų041.9 Ų41.90%022%0.218CC..THydrogen-bonded Turntrans-115-13.4-171.8-62.1-97.3000113.3V35 D36 R37 G38 I59 S89 Y91 A94 N122 V123 W126V35-F40 HydrophobicContact CG1-CD2 4.17Å; V35-F40 HydrophobicContact CG1-CE2 3.41Å; V35-F40 VanDerWaalsContact CG1-CE2 3.41Å; V35-F40 HydrophobicContact CG1-CZ 3.75Å; D36-F40 WeakPolarHBondContact O-CD2 3.44Å; R37-F40 PolarHBondContact O-N 3.36Å; G38-F40 VanDerWaalsContact C-N 3.32Å; F40-I59 HydrophobicContact CB-CD1 3.98Å; F40-S89 WeakPolarHBondContact CD1-O 3.49Å; F40-S89 WeakPolarHBondContact O-CB 3.44Å; F40-Y91 HydrophobicContact CB-CD2 4.19Å; F40-Y91 VanDerWaalsContact CD1-CA 3.44Å; F40-Y91 AromaticContact CD2-CD2 3.82Å; F40-Y91 HydrophobicContact CD2-CD2 3.82Å; F40-Y91 HydrophobicContact CE2-CD2 4.36Å; F40-Y91 AromaticContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CG 4.43Å; F40-A94 HydrophobicContact CE1-CB 4.08Å; F40-A94 HydrophobicContact CZ-CB 3.87Å; F40-N122 HydrophobicContact CD1-CB 3.75Å; F40-N122 HydrophobicContact CE1-CB 4.13Å; F40-N122 HydrophobicContact CG-CB 4.25Å; F40-V123 HydrophobicContact CE1-CG2 3.74Å; F40-V123 HydrophobicContact CZ-CG2 4.25Å; F40-W126 HydrophobicContact CE2-CB 3.89Å; F40-W126 AromaticContact CE2-CG 4Å; F40-W126 HydrophobicContact CE2-CG 4Å; F40-W126 HydrophobicContact CZ-CB 3.91Å; F40-W126 HydrophobicContact CZ-CD2 4.23Å; F40-W126 HydrophobicContact CZ-CE3 4.33Å; F40-W126 HydrophobicContact CZ-CG 4.07Å
41A96.5Very high96.1Very high9 Ų938.9 Ų38.97%0.07420%0.202CC..  trans-117.5137.1-179.400000111R37 S45 I59R37-A41 HydrophobicContact CG-CB 4.49Å; R37-A41 PolarHBondContact O-N 2.95Å; R37-A41 VanDerWaalsContact O-N 3.14Å; A41-S45 PolarHBondContact O-OG 2.88Å; A41-I59 HydrophobicContact CB-CD1 4.37Å; A41-I59 HydrophobicContact CB-CG2 4.15Å
42K90.8Very high96Very high132 Ų13242 Ų4257%0.57423%0.225SC*.SBendtrans-73.3-26.9-177.5-66.6178.5174.5172.30113.9I53 F118K42-I53 PolarHBondContact NZ-O 3.37Å; K42-F118 HydrophobicContact CG-CE2 4.4Å; K42-F118 HydrophobicContact CG-CZ 4.21Å
43S89.9Confident95.9Very high56 Ų5642 Ų4239%0.39223%0.225SC..SBendtrans-160.2162.2-178.867.70000109.8S45S43-S45 PolarHBondContact O-N 2.72Å; S43-S45 VanDerWaalsContact O-N 3.09Å
44N89.5Confident95.7Very high79 Ų7940.7 Ų40.742%0.42222%0.223SC..  trans52.335.4173.3-53.5-47.5000113Y46 E47 R49N44-Y46 PolarHBondContact O-N 3.02Å; N44-E47 HydrophobicContact CB-CB 4.48Å; N44-E47 HydrophobicContact CB-CG 4.22Å; N44-E47 WeakPolarHBondContact CB-OE1 3.32Å; N44-E47 PolarHBondContact O-N 3.26Å; N44-E47 VanDerWaalsContact O-N 3.08Å; N44-E47 PolarHBondContact OD1-OE1 2.9Å; N44-R49 PolarHBondContact ND2-NH2 3.03Å
45S95Very high95.5Very high19 Ų1944.5 Ų44.513%0.13324%0.235CC..THydrogen-bonded Turntrans-61.9-23-165.3-49.30000113.3R37 A41 S43R37-S45 WeakPolarHBondContact CD-O 3.47Å; R37-S45 WeakPolarHBondContact CG-O 3.5Å; R37-S45 PolarHBondContact NE-O 2.9Å; A41-S45 PolarHBondContact O-OG 2.88Å; S43-S45 PolarHBondContact O-N 2.72Å; S43-S45 VanDerWaalsContact O-N 3.09Å
46Y97.4Very high95.3Very high63 Ų6347.9 Ų47.925%0.24726%0.263CS..THydrogen-bonded Turntrans-107.310.1-176.9-47.1-40.2000113.8S6 G7 H10 D36 N44S6-Y46 WeakPolarHBondContact CA-O 3.24Å; G7-Y46 PolarHBondContact N-O 2.91Å; G7-Y46 VanDerWaalsContact O-CB 3.22Å; G7-Y46 WeakPolarHBondContact O-CB 3.4Å; H10-Y46 HydrophobicContact CB-CD1 4.02Å; H10-Y46 HydrophobicContact CB-CE1 3.61Å; D36-Y46 WeakPolarHBondContact OD1-CE1 3.27Å; D36-Y46 PolarHBondContact OD1-OH 3.21Å; N44-Y46 PolarHBondContact O-N 3.02Å
47E96.2Very high95.1Very high68 Ų6846.4 Ų46.432%0.31826%0.256SS..SBendtrans-86.2137.5170.4-64.8-176.2-133.600110.8N44 R49 P62N44-E47 HydrophobicContact CB-CB 4.48Å; N44-E47 HydrophobicContact CB-CG 4.22Å; N44-E47 WeakPolarHBondContact CB-OE1 3.32Å; N44-E47 PolarHBondContact O-N 3.26Å; N44-E47 VanDerWaalsContact O-N 3.08Å; N44-E47 PolarHBondContact OD1-OE1 2.9Å; E47-R49 HydrophobicContact CB-CG 3.96Å; E47-R49 PolarHBondContact O-N 3.29Å; E47-R49 IonicContact OE1-CZ 3.35Å; E47-R49 IonicContact OE1-NH2 3.52Å; E47-R49 PolarHBondContact OE1-NH2 3.37Å; E47-R49 IonicContact OE2-CZ 3.64Å; E47-R49 IonicContact OE2-NE 2.89Å; E47-R49 PolarHBondContact OE2-NE 2.86Å; E47-R49 IonicContact OE2-NH2 3.65Å; E47-R49 PolarHBondContact OE2-NH2 3.44Å; E47-P62 WeakPolarHBondContact O-CD 3.42Å; E47-P62 WeakPolarHBondContact O-CG 3.24Å
48D96.7Very high95Very high4 Ų448.8 Ų48.82%0.02127%0.271CS..SBendtrans-77.658.8-179.6-1645.9000112.1S5 S6 L13 H63S5-D48 WeakPolarHBondContact CB-OD2 3.03Å; S5-D48 PolarHBondContact OG-OD2 3.22Å; S6-D48 PolarHBondContact OG-N 3.45Å; L13-D48 HydrophobicContact CD1-CB 4.4Å; D48-H63 WeakPolarHBondContact OD1-CB 3.22Å; D48-H63 IonicContact OD1-CE1 2.97Å; D48-H63 IonicContact OD1-CG 3.85Å; D48-H63 PolarHBondContact OD1-N 2.77Å; D48-H63 IonicContact OD1-ND1 3.71Å; D48-H63 PolarHBondContact OD1-ND1 2.71Å; D48-H63 IonicContact OD2-ND1 2.65Å
49R94.8Very high95Very high90 Ų9047.8 Ų47.834%0.3426%0.26SS..SBendtrans-148.3161.4179.163.2173.5168.397.2-5.1112N44 E47N44-R49 PolarHBondContact ND2-NH2 3.03Å; E47-R49 HydrophobicContact CB-CG 3.96Å; E47-R49 PolarHBondContact O-N 3.29Å; E47-R49 IonicContact OE1-CZ 3.35Å; E47-R49 IonicContact OE1-NH2 3.52Å; E47-R49 PolarHBondContact OE1-NH2 3.37Å; E47-R49 IonicContact OE2-CZ 3.64Å; E47-R49 IonicContact OE2-NE 2.89Å; E47-R49 PolarHBondContact OE2-NE 2.86Å; E47-R49 IonicContact OE2-NH2 3.65Å; E47-R49 PolarHBondContact OE2-NH2 3.44Å
50P94.4Very high94.9Very high63 Ų6345.1 Ų45.141%0.40925%0.252SS..  trans-65.1152.2171-17.132.2000111.5I59 A61P50-I59 VanDerWaalsContact CA-O 3.29Å; P50-I59 WeakPolarHBondContact CA-O 3.35Å; P50-A61 HydrophobicContact CG-CB 4.23Å
51S94.8Very high94.8Very high11 Ų1145.3 Ų45.38%0.07725%0.253CS..EExtended strand (participates in β ladder)trans-132140.3170.4-179.60000110.1I53 T58 I59S51-I53 PolarHBondContact O-N 2.91Å; S51-T58 CarbonylContact O-C 3.55Å; S51-T58 WeakPolarHBondContact O-CA 3.23Å; S51-T58 VanDerWaalsContact O-CB 3.31Å; S51-T58 WeakPolarHBondContact O-CB 3.23Å; S51-I59 PolarHBondContact N-O 3.35Å; S51-I59 VanDerWaalsContact N-O 3.11Å; S51-I59 WeakPolarHBondContact O-CG2 3.46Å; S51-I59 PolarHBondContact O-N 3.32Å
52S95.5Very high94.9Very high74 Ų7444.9 Ų44.952%0.51725%0.25SC..EExtended strand (participates in β ladder)trans-61137.9175-178.70000110.9G54S52-G54 PolarHBondContact OG-N 3.17Å
53I96.1Very high95.1Very high1 Ų139.4 Ų39.41%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-110.31.7170.656.5177.1000111.8K42 S51 A57 I59 L115 F118K42-I53 PolarHBondContact NZ-O 3.37Å; S51-I53 PolarHBondContact O-N 2.91Å; I53-A57 HydrophobicContact CD1-CB 4.06Å; I53-A57 HydrophobicContact CG1-CB 3.88Å; I53-A57 WeakPolarHBondContact CG1-O 3.11Å; I53-A57 PolarHBondContact N-O 3.49Å; I53-I59 HydrophobicContact CG2-CB 3.97Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I53-L115 HydrophobicContact CB-CD2 4.31Å; I53-L115 HydrophobicContact CD1-CD1 4.19Å; I53-L115 HydrophobicContact CD1-CD2 3.92Å; I53-L115 HydrophobicContact CG1-CD2 3.9Å; I53-F118 HydrophobicContact CB-CD1 4.39Å; I53-F118 HydrophobicContact CB-CE1 3.86Å; I53-F118 HydrophobicContact CG2-CE1 3.77Å; I53-F118 HydrophobicContact CG2-CZ 4.38Å
54G94.8Very high95.5Very high23 Ų2337.6 Ų37.624%0.23721%0.212CC..EExtended strand (participates in β ladder)trans99173.7-171.700000111.6S52 A56 A57S52-G54 PolarHBondContact OG-N 3.17Å; G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 2.84Å; G54-A57 PolarHBondContact O-N 3.49Å
55Y95.2Very high95.9Very high102 Ų10234.3 Ų34.340%0.419%0.194SC..THydrogen-bonded Turntrans56.135.8172.2-52.8-82.6000114.7A57 I112 E114 L115 Q230 V231Y55-A57 PolarHBondContact O-N 3.03Å; Y55-I112 HydrophobicContact CD1-CG2 3.95Å; Y55-I112 HydrophobicContact CD2-CG2 4.28Å; Y55-I112 HydrophobicContact CE1-CG2 4.42Å; Y55-I112 HydrophobicContact CG-CG2 3.87Å; Y55-E114 HydrophobicContact CD2-CB 4.46Å; Y55-E114 HydrophobicContact CE1-CB 4.01Å; Y55-E114 HydrophobicContact CE1-CG 4.15Å; Y55-E114 HydrophobicContact CE2-CB 3.61Å; Y55-E114 VanDerWaalsContact OH-CB 3.22Å; Y55-E114 WeakPolarHBondContact OH-CB 3.42Å; Y55-E114 VanDerWaalsContact OH-CG 3.32Å; Y55-E114 WeakPolarHBondContact OH-CG 3.12Å; Y55-L115 HydrophobicContact CD2-CD2 3.67Å; Y55-L115 HydrophobicContact CD2-CG 3.83Å; Y55-L115 HydrophobicContact CE2-CD2 4.31Å; Y55-L115 HydrophobicContact CG-CG 4.42Å; Y55-Q230 WeakPolarHBondContact O-CG 3.28Å; Y55-Q230 PolarHBondContact O-NE2 3.44Å; Y55-V231 HydrophobicContact CD1-CG1 4.11Å; Y55-V231 HydrophobicContact CG-CG1 4.43Å
56A93.5Very high96Very high71 Ų7133.4 Ų33.459%0.58719%0.187SC*.THydrogen-bonded Turntrans5618-174.100000115G54 Q230G54-A56 VanDerWaalsContact C-N 3.27Å; G54-A56 PolarHBondContact O-N 2.84Å; A56-Q230 HydrophobicContact CB-CG 4.02Å
57A94.9Very high96Very high8 Ų833.9 Ų33.97%0.06619%0.189CC..EExtended strand (participates in β ladder)trans-107160.8176.800000111.9I53 G54 Y55 L115I53-A57 HydrophobicContact CD1-CB 4.06Å; I53-A57 HydrophobicContact CG1-CB 3.88Å; I53-A57 WeakPolarHBondContact CG1-O 3.11Å; I53-A57 PolarHBondContact N-O 3.49Å; G54-A57 PolarHBondContact O-N 3.49Å; Y55-A57 PolarHBondContact O-N 3.03Å; A57-L115 HydrophobicContact CB-CD1 3.56Å
58T95.9Very high96.1Very high53 Ų5330.8 Ų30.833%0.32518%0.175SC..EExtended strand (participates in β ladder)trans-132.1150.7177.265.70000111.2S51S51-T58 CarbonylContact O-C 3.55Å; S51-T58 WeakPolarHBondContact O-CA 3.23Å; S51-T58 VanDerWaalsContact O-CB 3.31Å; S51-T58 WeakPolarHBondContact O-CB 3.23Å
59I97Very high96.3Very high3 Ų330.6 Ų30.62%0.01517%0.174CC..EExtended strand (participates in β ladder)trans-76.3121.2154-176.4176.6000107.3R37 F40 A41 P50 S51 I53 S89 Y91R37-I59 HydrophobicContact CG-CD1 4.32Å; F40-I59 HydrophobicContact CB-CD1 3.98Å; A41-I59 HydrophobicContact CB-CD1 4.37Å; A41-I59 HydrophobicContact CB-CG2 4.15Å; P50-I59 VanDerWaalsContact CA-O 3.29Å; P50-I59 WeakPolarHBondContact CA-O 3.35Å; S51-I59 PolarHBondContact N-O 3.35Å; S51-I59 VanDerWaalsContact N-O 3.11Å; S51-I59 WeakPolarHBondContact O-CG2 3.46Å; S51-I59 PolarHBondContact O-N 3.32Å; I53-I59 HydrophobicContact CG2-CB 3.97Å; I53-I59 HydrophobicContact CG2-CG2 3.98Å; I59-S89 WeakPolarHBondContact CD1-OG 3.39Å; I59-S89 WeakPolarHBondContact CG1-OG 3.41Å; I59-Y91 HydrophobicContact CD1-CG 4.33Å
60S95.8Very high96.4Very high19 Ų1927.3 Ų27.313%0.13316%0.163CC..PPolyproline II helixtrans-57.9157-178.3-63.20000112.2R37 H65R37-S60 VanDerWaalsContact CZ-O 3.23Å; R37-S60 PolarHBondContact NH1-O 2.92Å; R37-S60 PolarHBondContact NH2-O 3.48Å; S60-H65 PolarHBondContact O-CE1 3.46Å
61A96Very high96.6Very high3 Ų325.1 Ų25.13%0.02515%0.15CC..PPolyproline II helixtrans-56.6144.1176.300000111.5P50 H63 M64 H65P50-A61 HydrophobicContact CG-CB 4.23Å; A61-H63 VanDerWaalsContact C-N 3.25Å; A61-H63 WeakPolarHBondContact CB-CE1 3.46Å; A61-H63 WeakPolarHBondContact CB-ND1 3.28Å; A61-H63 PolarHBondContact O-N 2.88Å; A61-M64 HydrophobicContact CB-CG 4.4Å; A61-M64 WeakPolarHBondContact O-CB 3.44Å; A61-M64 PolarHBondContact O-N 3.48Å; A61-H65 PolarHBondContact O-N 2.98Å
62P97.8Very high96.8Very high0 Ų024.6 Ų24.60%015%0.146CC..Hα-helixtrans-47.8-43.1175.3-29.334.5000114.2L13 L17 E47 M64 H65 A66L13-P62 HydrophobicContact CD1-CB 3.88Å; L13-P62 HydrophobicContact CD1-CG 3.97Å; L13-P62 HydrophobicContact CD2-CB 3.93Å; L13-P62 HydrophobicContact CD2-CG 3.68Å; L13-P62 HydrophobicContact CG-CB 4.31Å; L13-P62 HydrophobicContact CG-CG 4.41Å; L17-P62 HydrophobicContact CD1-CB 3.85Å; E47-P62 WeakPolarHBondContact O-CD 3.42Å; E47-P62 WeakPolarHBondContact O-CG 3.24Å; P62-M64 VanDerWaalsContact C-N 3.28Å; P62-M64 PolarHBondContact O-N 3.32Å; P62-H65 PolarHBondContact O-N 3.36Å; P62-A66 PolarHBondContact O-N 3.45Å
63H96.8Very high97Very high17 Ų1723.5 Ų23.58%0.07913%0.132CC..Hα-helixtrans-62.2-32.2176.568.8-98.4000113.9A2 L17 V22 D48 A61 A66 Y67A2-H63 HydrophobicContact CB-CB 3.82Å; A2-H63 PolarHBondContact O-CE1 3.28Å; A2-H63 VanDerWaalsContact O-CE1 3.28Å; A2-H63 PolarHBondContact O-ND1 3.34Å; L17-H63 HydrophobicContact CD2-CB 3.87Å; V22-H63 HydrophobicContact CG1-CB 3.69Å; D48-H63 WeakPolarHBondContact OD1-CB 3.22Å; D48-H63 IonicContact OD1-CE1 2.97Å; D48-H63 IonicContact OD1-CG 3.85Å; D48-H63 PolarHBondContact OD1-N 2.77Å; D48-H63 IonicContact OD1-ND1 3.71Å; D48-H63 PolarHBondContact OD1-ND1 2.71Å; D48-H63 IonicContact OD2-ND1 2.65Å; A61-H63 VanDerWaalsContact C-N 3.25Å; A61-H63 WeakPolarHBondContact CB-CE1 3.46Å; A61-H63 WeakPolarHBondContact CB-ND1 3.28Å; A61-H63 PolarHBondContact O-N 2.88Å; H63-A66 WeakPolarHBondContact O-CB 3.49Å; H63-A66 PolarHBondContact O-N 2.97Å; H63-Y67 HydrophobicContact CB-CE2 4.38Å; H63-Y67 AromaticContact CD2-CE2 3.89Å; H63-Y67 WeakPolarHBondContact O-CD2 3.44Å; H63-Y67 PolarHBondContact O-N 2.8Å
64M96.5Very high97.1Very high18 Ų1827.7 Ų27.79%0.08916%0.155CC..Hα-helixtrans-71.6-37.4178.3-70-49.7-53.700111.6A61 P62 Y67 A68 M217 V219 Y221A61-M64 HydrophobicContact CB-CG 4.4Å; A61-M64 WeakPolarHBondContact O-CB 3.44Å; A61-M64 PolarHBondContact O-N 3.48Å; P62-M64 VanDerWaalsContact C-N 3.28Å; P62-M64 PolarHBondContact O-N 3.32Å; M64-Y67 PolarHBondContact O-N 3.37Å; M64-Y67 HydrophobicContact SD-CD2 4.06Å; M64-A68 WeakPolarHBondContact O-CB 3.31Å; M64-A68 PolarHBondContact O-N 2.78Å; M64-M217 HydrophobicContact CE-CE 3.48Å; M64-M217 VanDerWaalsContact CE-CE 3.48Å; M64-M217 HydrophobicContact SD-CE 3.66Å; M64-V219 HydrophobicContact CE-CG1 3.69Å; M64-V219 HydrophobicContact SD-CG1 4.36Å; M64-Y221 HydrophobicContact CE-CE2 3.63Å; M64-Y221 WeakPolarHBondContact CE-OH 3.3Å
65H98.2Very high97.3Very high10 Ų1028.1 Ų28.15%0.04615%0.15CC..Hα-helixtrans-64.2-42.2170.1-63149.1000111.7M32 R37 S60 A61 P62 Y67 A68 L69 Y91 L92M32-H65 HydrophobicContact CE-CB 4.29Å; R37-H65 PolarHBondContact NH1-CE1 2.94Å; R37-H65 PolarHBondContact NH1-ND1 3.47Å; R37-H65 VanDerWaalsContact NH1-ND1 3.19Å; S60-H65 PolarHBondContact O-CE1 3.46Å; A61-H65 PolarHBondContact O-N 2.98Å; P62-H65 PolarHBondContact O-N 3.36Å; H65-Y67 PolarHBondContact O-N 3.39Å; H65-A68 PolarHBondContact O-N 3.01Å; H65-L69 WeakPolarHBondContact O-CB 3.26Å; H65-L69 WeakPolarHBondContact O-CG 3.34Å; H65-L69 PolarHBondContact O-N 2.89Å; H65-Y91 HydrophobicContact CB-CD1 4.31Å; H65-Y91 HydrophobicContact CB-CE1 3.87Å; H65-Y91 AromaticContact CE1-CD1 3.32Å; H65-Y91 WeakPolarHBondContact CE1-CD1 3.06Å; H65-Y91 AromaticContact CE1-CE1 3.96Å; H65-Y91 AromaticContact CG-CD1 3.71Å; H65-Y91 AromaticContact CG-CE1 3.73Å; H65-Y91 AromaticContact ND1-CD1 3.1Å; H65-Y91 WeakPolarHBondContact ND1-CD1 3.5Å; H65-Y91 AromaticContact ND1-CE1 3.24Å; H65-Y91 WeakPolarHBondContact ND1-CE1 3.41Å; H65-L92 HydrophobicContact CB-CD1 4.32Å
66A98.3Very high97.4Very high0 Ų023.5 Ų23.50%013%0.133CC..Hα-helixtrans-58.6-46.5174.700000111.7V22 I23 M32 P62 H63 A68 L69 E70V22-A66 HydrophobicContact CG1-CB 3.85Å; I23-A66 HydrophobicContact CD1-CB 4.26Å; I23-A66 HydrophobicContact CG1-CB 3.55Å; M32-A66 HydrophobicContact CE-CB 4.22Å; M32-A66 HydrophobicContact SD-CB 3.8Å; P62-A66 PolarHBondContact O-N 3.45Å; H63-A66 WeakPolarHBondContact O-CB 3.49Å; H63-A66 PolarHBondContact O-N 2.97Å; A66-A68 PolarHBondContact O-N 3.48Å; A66-L69 PolarHBondContact O-N 2.92Å; A66-E70 WeakPolarHBondContact O-CB 3.36Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.2Å; A66-E70 PolarHBondContact O-N 2.97Å
67Y97.3Very high97.7Very high74 Ų7425.6 Ų25.629%0.2913%0.128SC..Hα-helixtrans-63-40.9176.5-73.2-52.2000112.9A2 V22 H63 M64 H65 E70 A71 M217A2-Y67 HydrophobicContact CB-CE2 4.38Å; V22-Y67 HydrophobicContact CG1-CD1 4.49Å; V22-Y67 HydrophobicContact CG1-CD2 4.44Å; V22-Y67 HydrophobicContact CG1-CE1 4.14Å; V22-Y67 HydrophobicContact CG1-CE2 4.11Å; H63-Y67 HydrophobicContact CB-CE2 4.38Å; H63-Y67 AromaticContact CD2-CE2 3.89Å; H63-Y67 WeakPolarHBondContact O-CD2 3.44Å; H63-Y67 PolarHBondContact O-N 2.8Å; M64-Y67 PolarHBondContact O-N 3.37Å; M64-Y67 HydrophobicContact SD-CD2 4.06Å; H65-Y67 PolarHBondContact O-N 3.39Å; Y67-E70 PolarHBondContact O-N 3.37Å; Y67-A71 VanDerWaalsContact O-CB 3.26Å; Y67-A71 WeakPolarHBondContact O-CB 3.46Å; Y67-A71 PolarHBondContact O-N 3.24Å; Y67-M217 HydrophobicContact CD2-CE 3.44Å; Y67-M217 VanDerWaalsContact CD2-CE 3.44Å; Y67-M217 HydrophobicContact CD2-SD 4.1Å; Y67-M217 HydrophobicContact CE2-CE 3.91Å; Y67-M217 HydrophobicContact CE2-SD 4.12Å; Y67-M217 HydrophobicContact CG-CE 3.87Å; Y67-M217 HydrophobicContact CG-SD 4.31Å
68A98.7Very high97.8Very high2 Ų230.4 Ų30.42%0.01716%0.159CC..Hα-helixtrans-61.8-47.7175.700000111.5M64 H65 A66 A71 L72 L92M64-A68 WeakPolarHBondContact O-CB 3.31Å; M64-A68 PolarHBondContact O-N 2.78Å; H65-A68 PolarHBondContact O-N 3.01Å; A66-A68 PolarHBondContact O-N 3.48Å; A68-A71 PolarHBondContact O-N 2.98Å; A68-L72 WeakPolarHBondContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 2.85Å; A68-L92 HydrophobicContact CB-CD2 4.11Å
69L98.9Very high98Very high0 Ų029.3 Ų29.30%016%0.158CC..Hα-helixtrans-63.9-42.6177.5-68.5172.8000111.8V28 M32 H65 A66 A71 L72 K73 L76 L92 C95 M96 M99V28-L69 HydrophobicContact CG1-CB 3.75Å; V28-L69 HydrophobicContact CG1-CD1 4.19Å; V28-L69 HydrophobicContact CG2-CB 4.06Å; M32-L69 HydrophobicContact CG-CD1 3.59Å; M32-L69 HydrophobicContact SD-CD1 4Å; H65-L69 WeakPolarHBondContact O-CB 3.26Å; H65-L69 WeakPolarHBondContact O-CG 3.34Å; H65-L69 PolarHBondContact O-N 2.89Å; A66-L69 PolarHBondContact O-N 2.92Å; L69-A71 PolarHBondContact O-N 3.4Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-K73 WeakPolarHBondContact O-CA 3.18Å; L69-K73 WeakPolarHBondContact O-CB 3.31Å; L69-K73 PolarHBondContact O-N 3.5Å; L69-L76 HydrophobicContact CD2-CD1 3.63Å; L69-L92 HydrophobicContact CD1-CD1 4.26Å; L69-L92 HydrophobicContact CD2-CD1 3.69Å; L69-L92 HydrophobicContact CG-CD1 3.7Å; L69-C95 HydrophobicContact CD1-CB 3.95Å; L69-C95 HydrophobicContact CD2-CB 4.04Å; L69-M96 HydrophobicContact CD2-CG 4.33Å; L69-M99 HydrophobicContact CD2-SD 3.93Å
70E98.5Very high98Very high22 Ų2229.5 Ų29.510%0.10316%0.16CC..Hα-helixtrans-62.7-40.8175.9-76.4-70179.700112.6S24 S25 V28 A66 Y67 L72 K73S24-E70 WeakPolarHBondContact CA-OE1 3.44Å; S24-E70 PolarHBondContact N-OE1 3.01Å; S24-E70 VanDerWaalsContact OG-CD 3.3Å; S24-E70 PolarHBondContact OG-OE1 3.13Å; S24-E70 VanDerWaalsContact OG-OE1 3.14Å; S24-E70 PolarHBondContact OG-OE2 3.41Å; S25-E70 WeakPolarHBondContact CB-OE1 3.44Å; S25-E70 PolarHBondContact N-OE1 3.08Å; S25-E70 PolarHBondContact OG-OE1 3.46Å; S25-E70 PolarHBondContact OG-OE2 3.41Å; V28-E70 HydrophobicContact CG1-CG 4.29Å; V28-E70 HydrophobicContact CG2-CG 4.21Å; A66-E70 WeakPolarHBondContact O-CB 3.36Å; A66-E70 VanDerWaalsContact O-CG 3.29Å; A66-E70 WeakPolarHBondContact O-CG 3.2Å; A66-E70 PolarHBondContact O-N 2.97Å; Y67-E70 PolarHBondContact O-N 3.37Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 3.37Å; E70-K73 WeakPolarHBondContact O-CG 3.39Å; E70-K73 WeakPolarHBondContact OE2-CD 3.23Å; E70-K73 IonicContact OE2-NZ 2.73Å; E70-K73 PolarHBondContact OE2-NZ 3.48Å
71A98.5Very high98.2Very high16 Ų1631.3 Ų31.313%0.13217%0.166CC..Hα-helixtrans-69.7-29.9179.100000112.5Y67 A68 L69 R186 I188 L216Y67-A71 VanDerWaalsContact O-CB 3.26Å; Y67-A71 WeakPolarHBondContact O-CB 3.46Å; Y67-A71 PolarHBondContact O-N 3.24Å; A68-A71 PolarHBondContact O-N 2.98Å; L69-A71 PolarHBondContact O-N 3.4Å; A71-R186 WeakPolarHBondContact O-CD 3.46Å; A71-R186 PolarHBondContact O-NH1 2.96Å; A71-I188 HydrophobicContact CB-CD1 3.68Å; A71-I188 HydrophobicContact CB-CG1 3.94Å; A71-L216 HydrophobicContact CB-CD1 4.46Å
72L98.8Very high98.3Very high0 Ų031.2 Ų31.20%017%0.165CC..Hα-helixtrans-100.9-11.2-176.3-65.1174.8000114.3A68 L69 E70 D74 H75 L76 M96 A163 H165 R186 I188A68-L72 WeakPolarHBondContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CG 3.37Å; A68-L72 PolarHBondContact O-N 2.85Å; L69-L72 PolarHBondContact O-N 3.33Å; E70-L72 VanDerWaalsContact C-N 3.31Å; E70-L72 PolarHBondContact O-N 3.37Å; L72-D74 PolarHBondContact O-N 2.94Å; L72-H75 CarbonylContact O-C 3.56Å; L72-H75 WeakPolarHBondContact O-CA 3.5Å; L72-H75 WeakPolarHBondContact O-CB 3.32Å; L72-H75 PolarHBondContact O-N 2.97Å; L72-L76 HydrophobicContact CB-CD1 3.89Å; L72-L76 HydrophobicContact CB-CD2 4.31Å; L72-L76 HydrophobicContact CB-CG 3.82Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 3.36Å; L72-M96 HydrophobicContact CD1-CE 3.68Å; L72-A163 HydrophobicContact CB-CB 4.49Å; L72-A163 HydrophobicContact CD1-CB 4.49Å; L72-A163 HydrophobicContact CD2-CB 3.94Å; L72-H165 HydrophobicContact CD1-CB 3.93Å; L72-R186 HydrophobicContact CD2-CB 4.18Å; L72-R186 HydrophobicContact CD2-CG 3.78Å; L72-I188 HydrophobicContact CD1-CG1 4.46Å; L72-I188 HydrophobicContact CD2-CB 4.38Å; L72-I188 HydrophobicContact CD2-CG1 3.56Å; L72-I188 HydrophobicContact CG-CG1 3.86Å
73K98.6Very high98.4Very high52 Ų5231.2 Ų31.223%0.22617%0.165CC..THydrogen-bonded Turntrans-50.1-35-170.369.3-169.9173.7-1660115.4S25 V28 L69 E70 H75 L76 M99S25-K73 WeakPolarHBondContact OG-CD 3.14Å; S25-K73 PolarHBondContact OG-NZ 3.32Å; V28-K73 HydrophobicContact CG2-CB 4.28Å; L69-K73 WeakPolarHBondContact O-CA 3.18Å; L69-K73 WeakPolarHBondContact O-CB 3.31Å; L69-K73 PolarHBondContact O-N 3.5Å; E70-K73 WeakPolarHBondContact O-CG 3.39Å; E70-K73 WeakPolarHBondContact OE2-CD 3.23Å; E70-K73 IonicContact OE2-NZ 2.73Å; E70-K73 PolarHBondContact OE2-NZ 3.48Å; K73-H75 PolarHBondContact O-N 2.87Å; K73-L76 PolarHBondContact O-N 2.82Å; K73-M99 HydrophobicContact CB-CE 4.16Å
74D98.5Very high98.5Very high89 Ų8930.5 Ų30.548%0.47616%0.162SC..THydrogen-bonded Turntrans-73.8-9.9-179.3-61.9-42.3000113.4L72 K77L72-D74 PolarHBondContact O-N 2.94Å; D74-K77 WeakPolarHBondContact O-CD 3.35Å; D74-K77 WeakPolarHBondContact O-CE 3.42Å; D74-K77 PolarHBondContact O-NZ 2.77Å
75H98.8Very high98.6Very high31 Ų3129.7 Ų29.714%0.14416%0.158CC..THydrogen-bonded Turntrans-115.5-18.9177.9-54.178.3000111.8L72 K73 K77 A80 A163 G184L72-H75 CarbonylContact O-C 3.56Å; L72-H75 WeakPolarHBondContact O-CA 3.5Å; L72-H75 WeakPolarHBondContact O-CB 3.32Å; L72-H75 PolarHBondContact O-N 2.97Å; K73-H75 PolarHBondContact O-N 2.87Å; H75-K77 PolarHBondContact O-N 3.16Å; H75-K77 VanDerWaalsContact O-N 3.08Å; H75-A80 VanDerWaalsContact O-CB 3.22Å; H75-A80 WeakPolarHBondContact O-CB 3.49Å; H75-A163 HydrophobicContact CB-CB 3.82Å; H75-G184 PolarHBondContact CD2-O 2.9Å; H75-G184 PolarHBondContact NE2-O 2.79Å
76L98.8Very high98.6Very high6 Ų630.6 Ų30.63%0.03117%0.17CC..SBendtrans-82.965.2170.1-58.2-178.4000110.2L69 L72 K73 V82 M96 M99 A163L69-L76 HydrophobicContact CD2-CD1 3.63Å; L72-L76 HydrophobicContact CB-CD1 3.89Å; L72-L76 HydrophobicContact CB-CD2 4.31Å; L72-L76 HydrophobicContact CB-CG 3.82Å; L72-L76 WeakPolarHBondContact O-CG 3.38Å; L72-L76 PolarHBondContact O-N 3.36Å; K73-L76 PolarHBondContact O-N 2.82Å; L76-V82 HydrophobicContact CD2-CB 4.15Å; L76-V82 HydrophobicContact CD2-CG1 3.68Å; L76-V82 HydrophobicContact CD2-CG2 4.28Å; L76-M96 HydrophobicContact CD1-CG 4.1Å; L76-M96 HydrophobicContact CD2-CB 4.41Å; L76-M96 HydrophobicContact CD2-CG 3.98Å; L76-M96 HydrophobicContact CD2-SD 4.29Å; L76-M99 HydrophobicContact CB-CB 3.89Å; L76-M99 HydrophobicContact CB-CE 3.72Å; L76-M99 HydrophobicContact CB-SD 4.08Å; L76-M99 HydrophobicContact CD1-CE 4.07Å; L76-M99 HydrophobicContact CD1-SD 3.68Å; L76-A163 HydrophobicContact CD2-CB 3.97Å
77K98.1Very high98.6Very high115 Ų11531 Ų3150%0.517%0.173SC..  trans-110157.8-177.4-72177174150.90111.6D74 H75 G79 A80 M99 V100D74-K77 WeakPolarHBondContact O-CD 3.35Å; D74-K77 WeakPolarHBondContact O-CE 3.42Å; D74-K77 PolarHBondContact O-NZ 2.77Å; H75-K77 PolarHBondContact O-N 3.16Å; H75-K77 VanDerWaalsContact O-N 3.08Å; K77-G79 PolarHBondContact O-N 2.87Å; K77-A80 WeakPolarHBondContact O-CB 3.21Å; K77-A80 PolarHBondContact O-N 3.06Å; K77-M99 CarbonylContact C-O 3.54Å; K77-V100 WeakPolarHBondContact O-CA 3.23Å
78P98.5Very high98.7Very high109 Ų10927.7 Ų27.771%0.70816%0.162SC*.THydrogen-bonded Turntrans-49.2125.9174-29.936.7000112.4V100P78-V100 CarbonylContact C-O 3.5Å; P78-V100 VanDerWaalsContact CA-O 3.24Å; P78-V100 WeakPolarHBondContact CA-O 3.3Å
79G98.5Very high98.6Very high30 Ų3027.8 Ų27.831%0.30916%0.162SC..THydrogen-bonded Turntrans89.5-5.5-176.500000115.9K77 V100 T103K77-G79 PolarHBondContact O-N 2.87Å; G79-V100 PolarHBondContact N-O 2.87Å; G79-T103 WeakPolarHBondContact CA-O 3.46Å; G79-T103 WeakPolarHBondContact CA-OG1 3.49Å; G79-T103 PolarHBondContact N-OG1 3.21Å
80A98.8Very high98.6Very high7 Ų727.8 Ų27.86%0.05816%0.162CC..  trans-71.2150.1178.200000112.2H75 K77 V82 V100 G104 V105 D162H75-A80 VanDerWaalsContact O-CB 3.22Å; H75-A80 WeakPolarHBondContact O-CB 3.49Å; K77-A80 WeakPolarHBondContact O-CB 3.21Å; K77-A80 PolarHBondContact O-N 3.06Å; A80-V82 HydrophobicContact CB-CG1 4.15Å; A80-V100 HydrophobicContact CB-CB 4.36Å; A80-V100 HydrophobicContact CB-CG1 3.84Å; A80-V100 WeakPolarHBondContact O-CB 3.48Å; A80-G104 CarbonylContact O-C 3.54Å; A80-G104 VanDerWaalsContact O-CA 3.23Å; A80-G104 WeakPolarHBondContact O-CA 3.42Å; A80-V105 PolarHBondContact O-N 3.19Å; A80-D162 VanDerWaalsContact CA-OD2 3.32Å; A80-D162 WeakPolarHBondContact CA-OD2 3.36Å; A80-D162 HydrophobicContact CB-CB 3.99Å
81H98.9Very high98.7Very high57 Ų5726.8 Ų26.826%0.26416%0.158SC..EExtended strand (participates in β ladder)trans-103.2125.3169.9-77.1-142.2000108.3V105 D158 Y161 D162H81-V105 CarbonylContact C-O 3.47Å; H81-V105 WeakPolarHBondContact CA-O 3.38Å; H81-D158 PolarHBondContact ND1-O 2.97Å; H81-D158 VanDerWaalsContact ND1-O 3.08Å; H81-Y161 HydrophobicContact CB-CD1 4.08Å; H81-Y161 CarbonylContact O-C 3.57Å; H81-Y161 WeakPolarHBondContact O-CA 3.38Å; H81-D162 PolarHBondContact N-OD2 3Å; H81-D162 PolarHBondContact O-N 3.23Å
82V99Very high98.7Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-137.8146-173.3-53.10000112.3L76 A80 M96 V100 V105 A106 V107 A163L76-V82 HydrophobicContact CD2-CB 4.15Å; L76-V82 HydrophobicContact CD2-CG1 3.68Å; L76-V82 HydrophobicContact CD2-CG2 4.28Å; A80-V82 HydrophobicContact CB-CG1 4.15Å; V82-M96 HydrophobicContact CG2-CB 3.91Å; V82-M96 HydrophobicContact CG2-CG 4.49Å; V82-M96 HydrophobicContact CG2-SD 4.1Å; V82-V100 HydrophobicContact CG1-CG1 3.81Å; V82-V100 HydrophobicContact CG2-CG1 3.93Å; V82-V105 PolarHBondContact N-O 2.65Å; V82-A106 HydrophobicContact CG2-CB 3.6Å; V82-A106 WeakPolarHBondContact O-CA 3.46Å; V82-V107 PolarHBondContact O-N 3.26Å; V82-A163 CarbonylContact C-O 3.59Å; V82-A163 WeakPolarHBondContact CA-O 3.36Å; V82-A163 HydrophobicContact CB-CB 4.31Å; V82-A163 HydrophobicContact CG1-CB 3.83Å
83L99Very high98.7Very high0 Ų026.2 Ų26.20%015%0.152CC..EExtended strand (participates in β ladder)trans-119.6134-179-177.665.8000110.7V85 V107 I109 W155 Y161 A163 I164 H165 L177L83-V85 HydrophobicContact CD2-CG2 3.75Å; L83-V85 HydrophobicContact CG-CG2 3.89Å; L83-V107 CarbonylContact C-O 3.47Å; L83-V107 WeakPolarHBondContact CA-O 3.2Å; L83-V107 HydrophobicContact CD1-CB 4.03Å; L83-V107 HydrophobicContact CD1-CG1 4.12Å; L83-I109 HydrophobicContact CD1-CB 4.47Å; L83-I109 HydrophobicContact CD1-CG2 3.85Å; L83-W155 HydrophobicContact CD1-CB 3.94Å; L83-Y161 HydrophobicContact CB-CD1 3.97Å; L83-Y161 HydrophobicContact CB-CD2 3.9Å; L83-Y161 HydrophobicContact CB-CE1 3.92Å; L83-Y161 HydrophobicContact CB-CE2 3.85Å; L83-Y161 HydrophobicContact CB-CG 3.96Å; L83-Y161 HydrophobicContact CD1-CE2 4.43Å; L83-Y161 HydrophobicContact CD2-CD2 4.18Å; L83-Y161 HydrophobicContact CD2-CE2 3.8Å; L83-Y161 HydrophobicContact CG-CE2 4.25Å; L83-A163 PolarHBondContact N-O 3.47Å; L83-I164 HydrophobicContact CB-CG1 4.14Å; L83-I164 HydrophobicContact CB-CG2 4.35Å; L83-I164 HydrophobicContact CD2-CG2 4.29Å; L83-I164 CarbonylContact O-C 3.51Å; L83-I164 WeakPolarHBondContact O-CA 3.45Å; L83-H165 PolarHBondContact O-N 3.04Å; L83-L177 HydrophobicContact CD2-CD2 4.03Å
84D98.9Very high98.7Very high3 Ų323.8 Ų23.82%0.01614%0.141CC..EExtended strand (participates in β ladder)trans-118.399.3174-176.821.9000109.1T93 M96 V107 G108 I109 H165D84-T93 HydrophobicContact CB-CG2 4.45Å; D84-T93 PolarHBondContact OD2-N 2.83Å; D84-T93 VanDerWaalsContact OD2-N 3.1Å; D84-T93 PolarHBondContact OD2-OG1 3.34Å; D84-M96 HydrophobicContact CB-SD 4.23Å; D84-V107 PolarHBondContact N-O 3.28Å; D84-G108 WeakPolarHBondContact O-CA 3.32Å; D84-I109 PolarHBondContact O-N 3.21Å; D84-H165 IonicContact OD1-CE1 3.92Å; D84-H165 IonicContact OD1-CG 2.8Å; D84-H165 IonicContact OD1-ND1 3.62Å; D84-H165 PolarHBondContact OD1-ND1 3.03Å
85V98.9Very high98.7Very high1 Ų119.5 Ų19.51%0.00612%0.119CC..EExtended strand (participates in β ladder)trans-83.2128.8-178.2175.70000110.6L83 I109 G151 H165 V166 G167 L177 L224L83-V85 HydrophobicContact CD2-CG2 3.75Å; L83-V85 HydrophobicContact CG-CG2 3.89Å; V85-I109 HydrophobicContact CB-CG2 4.2Å; V85-I109 HydrophobicContact CG1-CG2 4.43Å; V85-I109 HydrophobicContact CG2-CG2 3.9Å; V85-G151 WeakPolarHBondContact CG1-O 3.5Å; V85-H165 PolarHBondContact N-O 3.44Å; V85-V166 HydrophobicContact CB-CB 4.39Å; V85-V166 HydrophobicContact CB-CG1 4.14Å; V85-V166 HydrophobicContact CB-CG2 4.26Å; V85-V166 HydrophobicContact CG1-CG1 4.02Å; V85-G167 WeakPolarHBondContact O-CA 3.4Å; V85-G167 PolarHBondContact O-N 3.39Å; V85-L177 HydrophobicContact CG2-CD1 4.32Å; V85-L177 HydrophobicContact CG2-CD2 3.89Å; V85-L224 HydrophobicContact CG1-CD1 3.94Å
86G98.4Very high98.7Very high28 Ų2818.1 Ų18.129%0.28911%0.112SC..THydrogen-bonded Turntrans71.147.1-171.100000110.5G88 I109G86-G88 PolarHBondContact O-N 3.26Å; G86-G88 VanDerWaalsContact O-N 3.14Å; G86-I109 WeakPolarHBondContact CA-O 3.23Å; G86-I109 PolarHBondContact N-O 3.42Å
87S98.6Very high98.7Very high8 Ų817.8 Ų17.86%0.05611%0.111CC..  trans-62-21.8-173.9540000113.4S89 G90 T93 I109S87-S89 PolarHBondContact O-N 3.44Å; S87-G90 PolarHBondContact O-N 3.12Å; S87-T93 WeakPolarHBondContact CB-OG1 3.39Å; S87-I109 PolarHBondContact N-O 3.23Å; S87-I109 VanDerWaalsContact N-O 3.14Å; S87-I109 PolarHBondContact OG-N 3.44Å
88G98.2Very high98.8Very high6 Ų614 Ų146%0.06210%0.095CC..THydrogen-bonded Turntrans54.4-104.1171.900000113G86 G90 E110 S119G86-G88 PolarHBondContact O-N 3.26Å; G86-G88 VanDerWaalsContact O-N 3.14Å; G88-G90 VanDerWaalsContact C-N 3.31Å; G88-G90 PolarHBondContact O-N 3.07Å; G88-E110 WeakPolarHBondContact CA-OE2 3.49Å; G88-E110 PolarHBondContact N-OE2 2.98Å; G88-S119 WeakPolarHBondContact O-CB 3.43Å
89S98.4Very high98.8Very high4 Ų49.3 Ų9.33%0.0286%0.064CC..THydrogen-bonded Turntrans-72.5-17.5178.666.50000115.1F40 I59 S87 Y91 S119 N122F40-S89 WeakPolarHBondContact CD1-O 3.49Å; F40-S89 WeakPolarHBondContact O-CB 3.44Å; I59-S89 WeakPolarHBondContact CD1-OG 3.39Å; I59-S89 WeakPolarHBondContact CG1-OG 3.41Å; S87-S89 PolarHBondContact O-N 3.44Å; S89-Y91 VanDerWaalsContact C-N 3.35Å; S89-Y91 PolarHBondContact OG-N 3.32Å; S89-S119 VanDerWaalsContact O-CA 3.28Å; S89-S119 WeakPolarHBondContact O-CA 3.48Å; S89-S119 VanDerWaalsContact O-CB 3.26Å; S89-S119 WeakPolarHBondContact O-CB 3.19Å; S89-N122 PolarHBondContact O-ND2 2.85Å
90G98.8Very high98.8Very high0 Ų07.9 Ų7.90%05%0.05CC..SBendtrans83.9-0.4-172.800000115.1S87 G88 T93 A94S87-G90 PolarHBondContact O-N 3.12Å; G88-G90 VanDerWaalsContact C-N 3.31Å; G88-G90 PolarHBondContact O-N 3.07Å; G90-T93 PolarHBondContact O-N 3.24Å; G90-A94 WeakPolarHBondContact O-CB 3.32Å; G90-A94 PolarHBondContact O-N 2.91Å
91Y98.9Very high98.8Very high1 Ų18 Ų80%0.0045%0.051CC..Hα-helixtrans-59-51.1-176.2174.6-92000113.2M32 V35 R37 F40 I59 H65 S89 A94 C95M32-Y91 HydrophobicContact CE-CE1 4.49Å; M32-Y91 WeakPolarHBondContact CE-OH 3.41Å; V35-Y91 HydrophobicContact CB-CE2 4.15Å; V35-Y91 HydrophobicContact CG1-CD2 3.8Å; V35-Y91 HydrophobicContact CG1-CE2 3.72Å; V35-Y91 WeakPolarHBondContact O-CE2 3.26Å; R37-Y91 HydrophobicContact CB-CD2 4.28Å; R37-Y91 HydrophobicContact CB-CE2 3.79Å; R37-Y91 HydrophobicContact CG-CD2 4.4Å; R37-Y91 HydrophobicContact CG-CE2 4.26Å; F40-Y91 HydrophobicContact CB-CD2 4.19Å; F40-Y91 VanDerWaalsContact CD1-CA 3.44Å; F40-Y91 AromaticContact CD2-CD2 3.82Å; F40-Y91 HydrophobicContact CD2-CD2 3.82Å; F40-Y91 HydrophobicContact CE2-CD2 4.36Å; F40-Y91 AromaticContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CD2 3.95Å; F40-Y91 HydrophobicContact CG-CG 4.43Å; I59-Y91 HydrophobicContact CD1-CG 4.33Å; H65-Y91 HydrophobicContact CB-CD1 4.31Å; H65-Y91 HydrophobicContact CB-CE1 3.87Å; H65-Y91 AromaticContact CE1-CD1 3.32Å; H65-Y91 WeakPolarHBondContact CE1-CD1 3.06Å; H65-Y91 AromaticContact CE1-CE1 3.96Å; H65-Y91 AromaticContact CG-CD1 3.71Å; H65-Y91 AromaticContact CG-CE1 3.73Å; H65-Y91 AromaticContact ND1-CD1 3.1Å; H65-Y91 WeakPolarHBondContact ND1-CD1 3.5Å; H65-Y91 AromaticContact ND1-CE1 3.24Å; H65-Y91 WeakPolarHBondContact ND1-CE1 3.41Å; S89-Y91 VanDerWaalsContact C-N 3.35Å; S89-Y91 PolarHBondContact OG-N 3.32Å; Y91-A94 PolarHBondContact O-N 2.82Å; Y91-C95 PolarHBondContact O-N 2.64Å; Y91-C95 PolarHBondContact O-SG 3.35Å
92L98.9Very high98.7Very high4 Ų48.6 Ų8.62%0.0216%0.06CC..Hα-helixtrans-70.6-39.7-176.6-17764.3000110.4H65 A68 L69 A94 C95 M96 H165H65-L92 HydrophobicContact CB-CD1 4.32Å; A68-L92 HydrophobicContact CB-CD2 4.11Å; L69-L92 HydrophobicContact CD1-CD1 4.26Å; L69-L92 HydrophobicContact CD2-CD1 3.69Å; L69-L92 HydrophobicContact CG-CD1 3.7Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 2.83Å; L92-C95 WeakPolarHBondContact O-CB 3.26Å; L92-C95 PolarHBondContact O-N 2.81Å; L92-C95 VanDerWaalsContact O-N 3.12Å; L92-M96 HydrophobicContact CD1-CE 4.31Å; L92-M96 HydrophobicContact CD2-CE 3.86Å; L92-M96 HydrophobicContact CG-CE 3.84Å; L92-M96 WeakPolarHBondContact O-CG 3.07Å; L92-M96 PolarHBondContact O-N 2.82Å; L92-H165 HydrophobicContact CD2-CB 4.36Å; L92-H165 WeakPolarHBondContact CD2-CE1 3.38Å; L92-H165 VanDerWaalsContact CD2-ND1 3.28Å; L92-H165 WeakPolarHBondContact CD2-ND1 3.39Å
93T98.9Very high98.7Very high0 Ų013.5 Ų13.50%09%0.09CC..Hα-helixtrans-56-42.4172.4-35.70000111.8D84 S87 G90 M96 A97 A106 G108 L144 L146D84-T93 HydrophobicContact CB-CG2 4.45Å; D84-T93 PolarHBondContact OD2-N 2.83Å; D84-T93 VanDerWaalsContact OD2-N 3.1Å; D84-T93 PolarHBondContact OD2-OG1 3.34Å; S87-T93 WeakPolarHBondContact CB-OG1 3.39Å; G90-T93 PolarHBondContact O-N 3.24Å; T93-M96 PolarHBondContact O-N 2.89Å; T93-A97 WeakPolarHBondContact O-CB 3.03Å; T93-A97 PolarHBondContact O-N 3.42Å; T93-A106 HydrophobicContact CG2-CB 4.32Å; T93-G108 VanDerWaalsContact CG2-N 3.26Å; T93-L144 HydrophobicContact CG2-CD1 3.51Å; T93-L146 HydrophobicContact CG2-CD2 4.13Å
94A98.9Very high98.7Very high0 Ų013.5 Ų13.50%09%0.091CC..Hα-helixtrans-65.1-40.7175.600000112.5V35 F40 G90 Y91 L92 A97 L98 V123 W126 L144V35-A94 HydrophobicContact CG1-CB 4.16Å; F40-A94 HydrophobicContact CE1-CB 4.08Å; F40-A94 HydrophobicContact CZ-CB 3.87Å; G90-A94 WeakPolarHBondContact O-CB 3.32Å; G90-A94 PolarHBondContact O-N 2.91Å; Y91-A94 PolarHBondContact O-N 2.82Å; L92-A94 VanDerWaalsContact C-N 3.28Å; L92-A94 PolarHBondContact O-N 2.83Å; A94-A97 PolarHBondContact O-N 3.36Å; A94-L98 PolarHBondContact O-N 3.29Å; A94-L98 VanDerWaalsContact O-N 3.16Å; A94-V123 HydrophobicContact CB-CG2 4.43Å; A94-W126 HydrophobicContact CB-CE3 4.24Å; A94-W126 HydrophobicContact CB-CH2 4.41Å; A94-W126 HydrophobicContact CB-CZ3 3.95Å; A94-L144 HydrophobicContact CB-CD2 4.24Å
95C98.9Very high98.7Very high0 Ų014.3 Ų14.30%010%0.096CC..Hα-helixtrans-61.1-45.5173.2-660000111.5T31 L69 Y91 L92 A97 L98 M99T31-C95 HydrophobicContact CG2-CB 3.72Å; T31-C95 VanDerWaalsContact CG2-O 3.3Å; T31-C95 WeakPolarHBondContact CG2-O 3.22Å; L69-C95 HydrophobicContact CD1-CB 3.95Å; L69-C95 HydrophobicContact CD2-CB 4.04Å; Y91-C95 PolarHBondContact O-N 2.64Å; Y91-C95 PolarHBondContact O-SG 3.35Å; L92-C95 WeakPolarHBondContact O-CB 3.26Å; L92-C95 PolarHBondContact O-N 2.81Å; L92-C95 VanDerWaalsContact O-N 3.12Å; C95-A97 VanDerWaalsContact C-N 3.35Å; C95-A97 PolarHBondContact O-N 3.32Å; C95-L98 PolarHBondContact O-N 3.37Å; C95-M99 WeakPolarHBondContact O-CG 3.47Å; C95-M99 PolarHBondContact O-N 2.89Å
96M98.9Very high98.7Very high1 Ų114.3 Ų14.31%0.00510%0.095CC..Hα-helixtrans-61.7-42.4177-72.1-174.1-179.400111.6L69 L72 L76 V82 D84 L92 T93 L98 M99 V100 A106 H165L69-M96 HydrophobicContact CD2-CG 4.33Å; L72-M96 HydrophobicContact CD1-CE 3.68Å; L76-M96 HydrophobicContact CD1-CG 4.1Å; L76-M96 HydrophobicContact CD2-CB 4.41Å; L76-M96 HydrophobicContact CD2-CG 3.98Å; L76-M96 HydrophobicContact CD2-SD 4.29Å; V82-M96 HydrophobicContact CG2-CB 3.91Å; V82-M96 HydrophobicContact CG2-CG 4.49Å; V82-M96 HydrophobicContact CG2-SD 4.1Å; D84-M96 HydrophobicContact CB-SD 4.23Å; L92-M96 HydrophobicContact CD1-CE 4.31Å; L92-M96 HydrophobicContact CD2-CE 3.86Å; L92-M96 HydrophobicContact CG-CE 3.84Å; L92-M96 WeakPolarHBondContact O-CG 3.07Å; L92-M96 PolarHBondContact O-N 2.82Å; T93-M96 PolarHBondContact O-N 2.89Å; M96-L98 VanDerWaalsContact C-N 3.34Å; M96-L98 PolarHBondContact O-N 3.48Å; M96-M99 PolarHBondContact O-N 2.82Å; M96-V100 WeakPolarHBondContact O-CG1 3.5Å; M96-V100 PolarHBondContact O-N 2.89Å; M96-A106 HydrophobicContact CB-CB 4.08Å; M96-H165 HydrophobicContact CE-CB 3.46Å; M96-H165 VanDerWaalsContact CE-CB 3.46Å
97A98.9Very high98.7Very high0 Ų013 Ų130%08%0.082CC..Hα-helixtrans-58.9-42.4177.600000112.6T93 A94 C95 M99 G101 A106 I138 L144T93-A97 WeakPolarHBondContact O-CB 3.03Å; T93-A97 PolarHBondContact O-N 3.42Å; A94-A97 PolarHBondContact O-N 3.36Å; C95-A97 VanDerWaalsContact C-N 3.35Å; C95-A97 PolarHBondContact O-N 3.32Å; A97-M99 VanDerWaalsContact C-N 3.29Å; A97-M99 PolarHBondContact O-N 2.96Å; A97-G101 PolarHBondContact O-N 2.97Å; A97-A106 HydrophobicContact CB-CB 3.88Å; A97-I138 HydrophobicContact CB-CD1 3.91Å; A97-L144 HydrophobicContact CB-CB 3.87Å; A97-L144 HydrophobicContact CB-CD1 4.04Å; A97-L144 HydrophobicContact CB-CD2 4.19Å; A97-L144 HydrophobicContact CB-CG 4.25Å
98L98.6Very high98.7Very high34 Ų3412.6 Ų12.618%0.1788%0.079CC..Hα-helixtrans-61.4-37.6174.1-73.9-176.7000112.6T31 V35 A94 C95 M96 W126 I138T31-L98 HydrophobicContact CG2-CB 4.44Å; V35-L98 HydrophobicContact CG2-CD1 3.54Å; V35-L98 HydrophobicContact CG2-CG 4.41Å; A94-L98 PolarHBondContact O-N 3.29Å; A94-L98 VanDerWaalsContact O-N 3.16Å; C95-L98 PolarHBondContact O-N 3.37Å; M96-L98 VanDerWaalsContact C-N 3.34Å; M96-L98 PolarHBondContact O-N 3.48Å; L98-W126 HydrophobicContact CD1-CH2 4.19Å; L98-W126 HydrophobicContact CD1-CZ2 3.91Å; L98-W126 HydrophobicContact CD2-CH2 3.88Å; L98-W126 HydrophobicContact CD2-CZ2 4.14Å; L98-W126 HydrophobicContact CG-CH2 3.88Å; L98-W126 HydrophobicContact CG-CZ2 4.11Å; L98-I138 HydrophobicContact CD2-CD1 4.03Å
99M98.7Very high98.8Very high12 Ų1212.3 Ų12.36%0.0598%0.076CC..Hα-helixtrans-75.1-37.6-177.8-68.4-17771.600112.7I27 T31 L69 K73 L76 K77 C95 M96 A97 G101I27-M99 HydrophobicContact CG1-CE 3.97Å; I27-M99 HydrophobicContact CG2-CE 4.39Å; T31-M99 HydrophobicContact CG2-CG 3.8Å; T31-M99 HydrophobicContact CG2-SD 4.05Å; T31-M99 VanDerWaalsContact OG1-CG 3.27Å; T31-M99 WeakPolarHBondContact OG1-CG 3.45Å; L69-M99 HydrophobicContact CD2-SD 3.93Å; K73-M99 HydrophobicContact CB-CE 4.16Å; L76-M99 HydrophobicContact CB-CB 3.89Å; L76-M99 HydrophobicContact CB-CE 3.72Å; L76-M99 HydrophobicContact CB-SD 4.08Å; L76-M99 HydrophobicContact CD1-CE 4.07Å; L76-M99 HydrophobicContact CD1-SD 3.68Å; K77-M99 CarbonylContact C-O 3.54Å; C95-M99 WeakPolarHBondContact O-CG 3.47Å; C95-M99 PolarHBondContact O-N 2.89Å; M96-M99 PolarHBondContact O-N 2.82Å; A97-M99 VanDerWaalsContact C-N 3.29Å; A97-M99 PolarHBondContact O-N 2.96Å; M99-G101 VanDerWaalsContact C-N 3.35Å
100V98.8Very high98.8Very high0 Ų012.6 Ų12.60%08%0.077CC..Hα-helixtrans-81.3-16.8176.8-51.40000113.4K77 P78 G79 A80 V82 M96 G104 A106K77-V100 WeakPolarHBondContact O-CA 3.23Å; P78-V100 CarbonylContact C-O 3.5Å; P78-V100 VanDerWaalsContact CA-O 3.24Å; P78-V100 WeakPolarHBondContact CA-O 3.3Å; G79-V100 PolarHBondContact N-O 2.87Å; A80-V100 HydrophobicContact CB-CB 4.36Å; A80-V100 HydrophobicContact CB-CG1 3.84Å; A80-V100 WeakPolarHBondContact O-CB 3.48Å; V82-V100 HydrophobicContact CG1-CG1 3.81Å; V82-V100 HydrophobicContact CG2-CG1 3.93Å; M96-V100 WeakPolarHBondContact O-CG1 3.5Å; M96-V100 PolarHBondContact O-N 2.89Å; V100-G104 PolarHBondContact O-N 2.79Å; V100-A106 HydrophobicContact CG2-CB 4.38Å
101G98.4Very high98.7Very high8 Ų814 Ų148%0.0828%0.083CC..  trans67.2-172.5168.800000115A97 M99 T103 G104A97-G101 PolarHBondContact O-N 2.97Å; M99-G101 VanDerWaalsContact C-N 3.35Å; G101-T103 PolarHBondContact O-N 3.43Å; G101-T103 VanDerWaalsContact O-N 3.12Å; G101-G104 PolarHBondContact O-N 3.49Å; G101-G104 VanDerWaalsContact O-N 3.08Å
102P98.1Very high98.6Very high70 Ų7014 Ų1446%0.4558%0.083SC..THydrogen-bonded Turntrans-66.9-15.3-172.226.5-35.6000114.4Q143P102-Q143 WeakPolarHBondContact O-CG 3.26Å; P102-Q143 PolarHBondContact O-NE2 3.19Å; P102-Q143 VanDerWaalsContact O-NE2 3.11Å
103T98.4Very high98.6Very high103 Ų10316.2 Ų16.263%0.63210%0.096SC*.THydrogen-bonded Turntrans-98.5-7.417856.60000113.4G79 G101G79-T103 WeakPolarHBondContact CA-O 3.46Å; G79-T103 WeakPolarHBondContact CA-OG1 3.49Å; G79-T103 PolarHBondContact N-OG1 3.21Å; G101-T103 PolarHBondContact O-N 3.43Å; G101-T103 VanDerWaalsContact O-N 3.12Å
104G98.7Very high98.5Very high1 Ų119.3 Ų19.31%0.0111%0.11CC..SBendtrans-106.6-178.1177.700000112.4A80 V100 G101 Q143A80-G104 CarbonylContact O-C 3.54Å; A80-G104 VanDerWaalsContact O-CA 3.23Å; A80-G104 WeakPolarHBondContact O-CA 3.42Å; V100-G104 PolarHBondContact O-N 2.79Å; G101-G104 PolarHBondContact O-N 3.49Å; G101-G104 VanDerWaalsContact O-N 3.08Å; G104-Q143 WeakPolarHBondContact O-CB 3.41Å; G104-Q143 VanDerWaalsContact O-CG 3.23Å; G104-Q143 WeakPolarHBondContact O-CG 3.28Å
105V98.9Very high98.5Very high20 Ų2019.4 Ų19.412%0.12111%0.11CC..EExtended strand (participates in β ladder)trans-139.8127.3177.1-176.70000109.5A80 H81 V82 V107 Q143 K145A80-V105 PolarHBondContact O-N 3.19Å; H81-V105 CarbonylContact C-O 3.47Å; H81-V105 WeakPolarHBondContact CA-O 3.38Å; V82-V105 PolarHBondContact N-O 2.65Å; V105-V107 HydrophobicContact CG1-CG2 3.86Å; V105-Q143 CarbonylContact C-O 3.57Å; V105-Q143 WeakPolarHBondContact CA-O 3.36Å; V105-K145 HydrophobicContact CG1-CD 4.18Å; V105-K145 HydrophobicContact CG1-CG 4.4Å
106A98.9Very high98.5Very high0 Ų019.7 Ų19.70%011%0.112CC..EExtended strand (participates in β ladder)trans-111.2122167.800000109.5V82 T93 M96 A97 V100 Q143 K145V82-A106 HydrophobicContact CG2-CB 3.6Å; V82-A106 WeakPolarHBondContact O-CA 3.46Å; T93-A106 HydrophobicContact CG2-CB 4.32Å; M96-A106 HydrophobicContact CB-CB 4.08Å; A97-A106 HydrophobicContact CB-CB 3.88Å; V100-A106 HydrophobicContact CG2-CB 4.38Å; A106-Q143 PolarHBondContact N-O 2.99Å; A106-K145 PolarHBondContact O-N 2.98Å
107V99Very high98.5Very high0 Ų026.6 Ų26.60%014%0.142CC..EExtended strand (participates in β ladder)trans-110.1122.1178-173.70000109.1V82 L83 D84 V105 K145 V147 W155 D158 Y161V82-V107 PolarHBondContact O-N 3.26Å; L83-V107 CarbonylContact C-O 3.47Å; L83-V107 WeakPolarHBondContact CA-O 3.2Å; L83-V107 HydrophobicContact CD1-CB 4.03Å; L83-V107 HydrophobicContact CD1-CG1 4.12Å; D84-V107 PolarHBondContact N-O 3.28Å; V105-V107 HydrophobicContact CG1-CG2 3.86Å; V107-K145 CarbonylContact C-O 3.47Å; V107-K145 WeakPolarHBondContact CA-O 3.45Å; V107-K145 HydrophobicContact CG1-CB 4.35Å; V107-K145 HydrophobicContact CG2-CB 4.26Å; V107-K145 HydrophobicContact CG2-CD 4.27Å; V107-V147 HydrophobicContact CG1-CG2 3.95Å; V107-W155 HydrophobicContact CG1-CB 4.43Å; V107-W155 HydrophobicContact CG1-CG 4.07Å; V107-D158 HydrophobicContact CG2-CB 3.86Å; V107-Y161 HydrophobicContact CG2-CE1 4.45Å
108G98.9Very high98.5Very high0 Ų028.4 Ų28.40%015%0.15CC..EExtended strand (participates in β ladder)trans-98.9123.9166.800000109.4D84 T93 K145 L146 V147D84-G108 WeakPolarHBondContact O-CA 3.32Å; T93-G108 VanDerWaalsContact CG2-N 3.26Å; G108-K145 PolarHBondContact N-O 3.43Å; G108-L146 WeakPolarHBondContact O-CA 3.43Å; G108-V147 PolarHBondContact O-N 2.84Å
109I98.9Very high98.5Very high1 Ų126.8 Ų26.81%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-112.4130176.4-176169.3000110.4L83 D84 V85 G86 S87 V147 G154 W155L83-I109 HydrophobicContact CD1-CB 4.47Å; L83-I109 HydrophobicContact CD1-CG2 3.85Å; D84-I109 PolarHBondContact O-N 3.21Å; V85-I109 HydrophobicContact CB-CG2 4.2Å; V85-I109 HydrophobicContact CG1-CG2 4.43Å; V85-I109 HydrophobicContact CG2-CG2 3.9Å; G86-I109 WeakPolarHBondContact CA-O 3.23Å; G86-I109 PolarHBondContact N-O 3.42Å; S87-I109 PolarHBondContact N-O 3.23Å; S87-I109 VanDerWaalsContact N-O 3.14Å; S87-I109 PolarHBondContact OG-N 3.44Å; I109-V147 WeakPolarHBondContact CA-O 2.99Å; I109-V147 HydrophobicContact CB-CG2 4.02Å; I109-V147 HydrophobicContact CG1-CG2 4.15Å; I109-G154 WeakPolarHBondContact CD1-O 3.38Å; I109-W155 HydrophobicContact CD1-CB 4.48Å; I109-W155 HydrophobicContact CD1-CE3 4.14Å
110E98.6Very high98.5Very high9 Ų928.9 Ų28.94%0.04215%0.153CC..EExtended strand (participates in β ladder)trans-135.3132.4-176.1173.751.5-118.400110.1G88 I112 L115 V147 T148 G149G88-E110 WeakPolarHBondContact CA-OE2 3.49Å; G88-E110 PolarHBondContact N-OE2 2.98Å; E110-I112 PolarHBondContact OE1-N 3.09Å; E110-L115 HydrophobicContact CG-CB 3.61Å; E110-V147 PolarHBondContact N-O 2.73Å; E110-T148 CarbonylContact O-C 3.58Å; E110-T148 WeakPolarHBondContact O-CA 3.35Å; E110-G149 CarbonylContact C-O 3.56Å; E110-G149 PolarHBondContact O-N 3.42Å
111H97.3Very high98.5Very high30 Ų3031.4 Ų31.414%0.13917%0.171CC..SBendtrans-83.9-10.6-175.972175000113.4G149 T225 Q230H111-G149 VanDerWaalsContact CA-O 3.24Å; H111-G149 WeakPolarHBondContact CA-O 3.38Å; H111-G149 WeakPolarHBondContact CB-O 3.29Å; H111-G149 PolarHBondContact N-O 3.32Å; H111-T225 PolarHBondContact CE1-O 3.08Å; H111-T225 PolarHBondContact ND1-O 2.87Å; H111-Q230 PolarHBondContact CE1-OE1 2.87Å; H111-Q230 VanDerWaalsContact NE2-CD 3.34Å; H111-Q230 PolarHBondContact NE2-NE2 3.36Å; H111-Q230 PolarHBondContact NE2-OE1 3.38Å
112I97.7Very high98.5Very high0 Ų031.6 Ų31.60%017%0.169CC..  trans-102.2109.8175.8-52.7-50.9000110.2Y55 E110 E114 L115 T116 K227 V231Y55-I112 HydrophobicContact CD1-CG2 3.95Å; Y55-I112 HydrophobicContact CD2-CG2 4.28Å; Y55-I112 HydrophobicContact CE1-CG2 4.42Å; Y55-I112 HydrophobicContact CG-CG2 3.87Å; E110-I112 PolarHBondContact OE1-N 3.09Å; I112-E114 HydrophobicContact CG2-CB 4.14Å; I112-E114 VanDerWaalsContact CG2-OE2 3.3Å; I112-E114 WeakPolarHBondContact CG2-OE2 3.28Å; I112-E114 PolarHBondContact O-N 3.28Å; I112-E114 VanDerWaalsContact O-N 3.08Å; I112-L115 HydrophobicContact CB-CB 4.06Å; I112-L115 HydrophobicContact CB-CD1 3.99Å; I112-L115 HydrophobicContact CB-CG 3.95Å; I112-L115 HydrophobicContact CG1-CD1 4.07Å; I112-L115 HydrophobicContact CG2-CB 4.38Å; I112-L115 HydrophobicContact CG2-CD1 4.45Å; I112-L115 HydrophobicContact CG2-CG 4.03Å; I112-L115 WeakPolarHBondContact O-CA 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.34Å; I112-L115 PolarHBondContact O-N 3.28Å; I112-T116 PolarHBondContact O-N 2.8Å; I112-T116 PolarHBondContact O-OG1 2.82Å; I112-K227 HydrophobicContact CD1-CB 4.09Å; I112-K227 HydrophobicContact CD1-CD 4.02Å; I112-K227 HydrophobicContact CD1-CG 3.56Å; I112-V231 HydrophobicContact CD1-CG1 4.17Å; I112-V231 HydrophobicContact CD1-CG2 4.4Å
113D97.5Very high98.5Very high52 Ų5228.2 Ų28.228%0.27815%0.148SC..Hα-helixtrans-49.5-39.7179.4-38.94000112.9T116 K117 T148 K227 R234D113-T116 PolarHBondContact O-N 3.02Å; D113-K117 WeakPolarHBondContact O-CG 3.36Å; D113-K117 PolarHBondContact O-N 2.57Å; D113-T148 HydrophobicContact CB-CG2 4.36Å; D113-T148 WeakPolarHBondContact OD1-CG2 3.25Å; D113-K227 IonicContact OD1-NZ 3.47Å; D113-K227 PolarHBondContact OD1-NZ 3.01Å; D113-K227 IonicContact OD2-NZ 2.8Å; D113-R234 IonicContact OD2-NH2 3.07Å
114E98.1Very high98.5Very high65 Ų6528.1 Ų28.130%0.30414%0.14SC..Hα-helixtrans-68.8-32.1179.2-62.190.3159.600112.8Y55 I112 F118 K227Y55-E114 HydrophobicContact CD2-CB 4.46Å; Y55-E114 HydrophobicContact CE1-CB 4.01Å; Y55-E114 HydrophobicContact CE1-CG 4.15Å; Y55-E114 HydrophobicContact CE2-CB 3.61Å; Y55-E114 VanDerWaalsContact OH-CB 3.22Å; Y55-E114 WeakPolarHBondContact OH-CB 3.42Å; Y55-E114 VanDerWaalsContact OH-CG 3.32Å; Y55-E114 WeakPolarHBondContact OH-CG 3.12Å; I112-E114 HydrophobicContact CG2-CB 4.14Å; I112-E114 VanDerWaalsContact CG2-OE2 3.3Å; I112-E114 WeakPolarHBondContact CG2-OE2 3.28Å; I112-E114 PolarHBondContact O-N 3.28Å; I112-E114 VanDerWaalsContact O-N 3.08Å; E114-F118 WeakPolarHBondContact O-CB 3.48Å; E114-F118 PolarHBondContact O-N 3.21Å; E114-K227 IonicContact OE2-NZ 3.57Å
115L98.4Very high98.5Very high1 Ų131.2 Ų31.21%0.00516%0.156CC..Hα-helixtrans-76.6-33.5172.5-67.4-178.1000111.8I53 Y55 A57 E110 I112 F118 S119I53-L115 HydrophobicContact CB-CD2 4.31Å; I53-L115 HydrophobicContact CD1-CD1 4.19Å; I53-L115 HydrophobicContact CD1-CD2 3.92Å; I53-L115 HydrophobicContact CG1-CD2 3.9Å; Y55-L115 HydrophobicContact CD2-CD2 3.67Å; Y55-L115 HydrophobicContact CD2-CG 3.83Å; Y55-L115 HydrophobicContact CE2-CD2 4.31Å; Y55-L115 HydrophobicContact CG-CG 4.42Å; A57-L115 HydrophobicContact CB-CD1 3.56Å; E110-L115 HydrophobicContact CG-CB 3.61Å; I112-L115 HydrophobicContact CB-CB 4.06Å; I112-L115 HydrophobicContact CB-CD1 3.99Å; I112-L115 HydrophobicContact CB-CG 3.95Å; I112-L115 HydrophobicContact CG1-CD1 4.07Å; I112-L115 HydrophobicContact CG2-CB 4.38Å; I112-L115 HydrophobicContact CG2-CD1 4.45Å; I112-L115 HydrophobicContact CG2-CG 4.03Å; I112-L115 WeakPolarHBondContact O-CA 3.25Å; I112-L115 WeakPolarHBondContact O-CB 3.34Å; I112-L115 PolarHBondContact O-N 3.28Å; L115-F118 HydrophobicContact CD2-CD1 4.36Å; L115-F118 WeakPolarHBondContact O-CB 3.39Å; L115-F118 PolarHBondContact O-N 3.34Å; L115-S119 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.24Å; L115-S119 VanDerWaalsContact O-OG 3.13Å
116T98.8Very high98.4Very high6 Ų630.2 Ų30.24%0.03715%0.15CC..Hα-helixtrans-61.1-45.1169.7-49.80000111I112 D113 F118 S119 L120 T148I112-T116 PolarHBondContact O-N 2.8Å; I112-T116 PolarHBondContact O-OG1 2.82Å; D113-T116 PolarHBondContact O-N 3.02Å; T116-F118 VanDerWaalsContact C-N 3.34Å; T116-F118 PolarHBondContact O-N 3.2Å; T116-S119 WeakPolarHBondContact CA-OG 3.4Å; T116-S119 PolarHBondContact O-N 3.43Å; T116-S119 PolarHBondContact O-OG 3.31Å; T116-L120 HydrophobicContact CG2-CD1 4.44Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 3.47Å; T116-T148 VanDerWaalsContact CB-OG1 3.24Å; T116-T148 WeakPolarHBondContact CB-OG1 3.36Å; T116-T148 WeakPolarHBondContact CG2-OG1 3.48Å; T116-T148 PolarHBondContact OG1-OG1 2.89Å
117K98.7Very high98.4Very high147 Ų14731.6 Ų31.664%0.63916%0.157SC*.Hα-helixtrans-63.1-40.4174.4-70.5173.1-175.6175.40112.2D113 L120 S121D113-K117 WeakPolarHBondContact O-CG 3.36Å; D113-K117 PolarHBondContact O-N 2.57Å; K117-L120 PolarHBondContact O-N 3.1Å; K117-S121 PolarHBondContact O-N 2.78Å; K117-S121 VanDerWaalsContact O-N 3.08Å
118F98.7Very high98.3Very high38 Ų3837 Ų3717%0.16719%0.185CC..Hα-helixtrans-60.8-46175174.1-117.1000111.7K42 I53 E114 L115 T116 S121 N122K42-F118 HydrophobicContact CG-CE2 4.4Å; K42-F118 HydrophobicContact CG-CZ 4.21Å; I53-F118 HydrophobicContact CB-CD1 4.39Å; I53-F118 HydrophobicContact CB-CE1 3.86Å; I53-F118 HydrophobicContact CG2-CE1 3.77Å; I53-F118 HydrophobicContact CG2-CZ 4.38Å; E114-F118 WeakPolarHBondContact O-CB 3.48Å; E114-F118 PolarHBondContact O-N 3.21Å; L115-F118 HydrophobicContact CD2-CD1 4.36Å; L115-F118 WeakPolarHBondContact O-CB 3.39Å; L115-F118 PolarHBondContact O-N 3.34Å; T116-F118 VanDerWaalsContact C-N 3.34Å; T116-F118 PolarHBondContact O-N 3.2Å; F118-S121 PolarHBondContact O-N 3.22Å; F118-N122 WeakPolarHBondContact CD1-ND2 3.24Å; F118-N122 WeakPolarHBondContact CE1-ND2 3.32Å; F118-N122 WeakPolarHBondContact CE2-OD1 3.34Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.1Å; F118-N122 PolarHBondContact O-N 3.36Å; F118-N122 PolarHBondContact O-ND2 2.83Å; F118-N122 PolarHBondContact O-OD1 3.43Å
119S98.8Very high98.2Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-65.7-38.8178.455.10000113.1G88 S89 L115 T116 N122 V123G88-S119 WeakPolarHBondContact O-CB 3.43Å; S89-S119 VanDerWaalsContact O-CA 3.28Å; S89-S119 WeakPolarHBondContact O-CA 3.48Å; S89-S119 VanDerWaalsContact O-CB 3.26Å; S89-S119 WeakPolarHBondContact O-CB 3.19Å; L115-S119 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.24Å; L115-S119 VanDerWaalsContact O-OG 3.13Å; T116-S119 WeakPolarHBondContact CA-OG 3.4Å; T116-S119 PolarHBondContact O-N 3.43Å; T116-S119 PolarHBondContact O-OG 3.31Å; S119-N122 PolarHBondContact O-N 3.12Å; S119-V123 WeakPolarHBondContact O-CG2 3.42Å; S119-V123 PolarHBondContact O-N 3.04Å
120L98.8Very high98Very high55 Ų5543.2 Ų43.229%0.28822%0.216SC..Hα-helixtrans-57-49.9172.1-72.7166.9000111T116 K117 N122 V123 E124 L140 L146T116-L120 HydrophobicContact CG2-CD1 4.44Å; T116-L120 WeakPolarHBondContact O-CG 3.45Å; T116-L120 PolarHBondContact O-N 3.47Å; K117-L120 PolarHBondContact O-N 3.1Å; L120-N122 PolarHBondContact O-N 2.7Å; L120-V123 PolarHBondContact O-N 2.8Å; L120-E124 WeakPolarHBondContact O-CG 3.43Å; L120-E124 PolarHBondContact O-N 2.78Å; L120-L140 HydrophobicContact CD2-CD1 3.89Å; L120-L140 HydrophobicContact CD2-CD2 3.95Å; L120-L140 HydrophobicContact CD2-CG 4.23Å; L120-L146 HydrophobicContact CD2-CB 3.93Å; L120-L146 HydrophobicContact CD2-CD1 4.12Å; L120-L146 HydrophobicContact CG-CB 4.24Å; L120-L146 HydrophobicContact CG-CD1 4.35Å
121S98.6Very high97.8Very high54 Ų5448.7 Ų48.738%0.37824%0.242SC..Hα-helixtrans-62.5-40178.1-175.30000112.8K117 F118 E124 N125K117-S121 PolarHBondContact O-N 2.78Å; K117-S121 VanDerWaalsContact O-N 3.08Å; F118-S121 PolarHBondContact O-N 3.22Å; S121-E124 PolarHBondContact O-N 3.21Å; S121-N125 WeakPolarHBondContact O-CB 3.36Å; S121-N125 VanDerWaalsContact O-CG 3.28Å; S121-N125 PolarHBondContact O-N 3.14Å; S121-N125 PolarHBondContact O-ND2 3.33Å
122N98.7Very high97.6Very high11 Ų1151.3 Ų51.36%0.05926%0.256CS..Hα-helixtrans-61.8-44.6176.3-65.9-21000111.7Y39 F40 S89 F118 S119 L120 N125 W126Y39-N122 VanDerWaalsContact O-CB 3.29Å; Y39-N122 WeakPolarHBondContact O-CB 3.44Å; Y39-N122 VanDerWaalsContact O-CG 3.29Å; Y39-N122 PolarHBondContact O-OD1 3.34Å; F40-N122 HydrophobicContact CD1-CB 3.75Å; F40-N122 HydrophobicContact CE1-CB 4.13Å; F40-N122 HydrophobicContact CG-CB 4.25Å; S89-N122 PolarHBondContact O-ND2 2.85Å; F118-N122 WeakPolarHBondContact CD1-ND2 3.24Å; F118-N122 WeakPolarHBondContact CE1-ND2 3.32Å; F118-N122 WeakPolarHBondContact CE2-OD1 3.34Å; F118-N122 WeakPolarHBondContact CZ-ND2 3.1Å; F118-N122 PolarHBondContact O-N 3.36Å; F118-N122 PolarHBondContact O-ND2 2.83Å; F118-N122 PolarHBondContact O-OD1 3.43Å; S119-N122 PolarHBondContact O-N 3.12Å; L120-N122 PolarHBondContact O-N 2.7Å; N122-N125 PolarHBondContact O-N 2.78Å; N122-W126 WeakPolarHBondContact O-CB 3.11Å; N122-W126 PolarHBondContact O-N 2.92Å
123V98.7Very high97.5Very high0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-67.4-41.9179.2168.30000111.3F40 A94 S119 L120 W126 F127 L140 L144 L146F40-V123 HydrophobicContact CE1-CG2 3.74Å; F40-V123 HydrophobicContact CZ-CG2 4.25Å; A94-V123 HydrophobicContact CB-CG2 4.43Å; S119-V123 WeakPolarHBondContact O-CG2 3.42Å; S119-V123 PolarHBondContact O-N 3.04Å; L120-V123 PolarHBondContact O-N 2.8Å; V123-W126 HydrophobicContact CG1-CE3 4.32Å; V123-W126 PolarHBondContact O-N 2.79Å; V123-F127 HydrophobicContact CG1-CD2 3.59Å; V123-F127 HydrophobicContact CG1-CE2 3.32Å; V123-F127 HydrophobicContact CG1-CZ 4.41Å; V123-F127 WeakPolarHBondContact O-CD2 3.34Å; V123-F127 PolarHBondContact O-N 3.1Å; V123-L140 HydrophobicContact CG1-CD1 3.98Å; V123-L140 HydrophobicContact CG1-CD2 4.38Å; V123-L144 HydrophobicContact CG1-CD2 3.55Å; V123-L144 HydrophobicContact CG1-CG 4.43Å; V123-L144 HydrophobicContact CG2-CD2 4.13Å; V123-L146 HydrophobicContact CB-CD1 4.33Å; V123-L146 HydrophobicContact CG2-CD1 3.81Å
124E98.1Very high97.3Very high101 Ų10155.2 Ų55.247%0.47227%0.267SS..Hα-helixtrans-59.1-46.8173-74.3174.6179.100111.5L120 S121 W126 F127 N128 L140L120-E124 WeakPolarHBondContact O-CG 3.43Å; L120-E124 PolarHBondContact O-N 2.78Å; S121-E124 PolarHBondContact O-N 3.21Å; E124-W126 VanDerWaalsContact C-N 3.31Å; E124-W126 PolarHBondContact O-N 3.37Å; E124-F127 PolarHBondContact O-N 2.9Å; E124-N128 WeakPolarHBondContact O-CB 3.46Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 3.11Å; E124-L140 HydrophobicContact CG-CD2 3.81Å
125N97.8Very high97.2Very high65 Ų6558.1 Ų58.135%0.34828%0.284SS..Hα-helixtrans-59.4-43175.5-76.6-38.6000111.5Y39 S121 N122 N128 H129Y39-N125 HydrophobicContact CD1-CB 4.41Å; S121-N125 WeakPolarHBondContact O-CB 3.36Å; S121-N125 VanDerWaalsContact O-CG 3.28Å; S121-N125 PolarHBondContact O-N 3.14Å; S121-N125 PolarHBondContact O-ND2 3.33Å; N122-N125 PolarHBondContact O-N 2.78Å; N125-N128 PolarHBondContact O-N 2.78Å; N125-H129 PolarHBondContact O-N 2.76Å; N125-H129 PolarHBondContact O-ND1 3.21Å
126W98Very high97.1Very high0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-62.5-45.8175.3169.661.4000112.3S34 V35 Y39 F40 A94 L98 N122 V123 E124 N128 H129 S130 A133 I138 L144S34-W126 PolarHBondContact O-NE1 3.5Å; V35-W126 HydrophobicContact CG2-CH2 4.36Å; V35-W126 HydrophobicContact CG2-CZ2 3.8Å; Y39-W126 HydrophobicContact CD2-CB 4.04Å; Y39-W126 AromaticContact CD2-CD1 3.93Å; Y39-W126 HydrophobicContact CD2-CG 4.4Å; Y39-W126 HydrophobicContact CG-CB 4.26Å; F40-W126 HydrophobicContact CE2-CB 3.89Å; F40-W126 AromaticContact CE2-CG 4Å; F40-W126 HydrophobicContact CE2-CG 4Å; F40-W126 HydrophobicContact CZ-CB 3.91Å; F40-W126 HydrophobicContact CZ-CD2 4.23Å; F40-W126 HydrophobicContact CZ-CE3 4.33Å; F40-W126 HydrophobicContact CZ-CG 4.07Å; A94-W126 HydrophobicContact CB-CE3 4.24Å; A94-W126 HydrophobicContact CB-CH2 4.41Å; A94-W126 HydrophobicContact CB-CZ3 3.95Å; L98-W126 HydrophobicContact CD1-CH2 4.19Å; L98-W126 HydrophobicContact CD1-CZ2 3.91Å; L98-W126 HydrophobicContact CD2-CH2 3.88Å; L98-W126 HydrophobicContact CD2-CZ2 4.14Å; L98-W126 HydrophobicContact CG-CH2 3.88Å; L98-W126 HydrophobicContact CG-CZ2 4.11Å; N122-W126 WeakPolarHBondContact O-CB 3.11Å; N122-W126 PolarHBondContact O-N 2.92Å; V123-W126 HydrophobicContact CG1-CE3 4.32Å; V123-W126 PolarHBondContact O-N 2.79Å; E124-W126 VanDerWaalsContact C-N 3.31Å; E124-W126 PolarHBondContact O-N 3.37Å; W126-N128 VanDerWaalsContact C-N 3.3Å; W126-N128 PolarHBondContact O-N 3.24Å; W126-H129 PolarHBondContact O-N 2.79Å; W126-S130 WeakPolarHBondContact O-CB 3.21Å; W126-S130 PolarHBondContact O-N 3.24Å; W126-A133 HydrophobicContact CD2-CB 3.87Å; W126-A133 VanDerWaalsContact CE2-CB 3.49Å; W126-A133 HydrophobicContact CE3-CB 4.16Å; W126-A133 HydrophobicContact CH2-CB 3.8Å; W126-A133 HydrophobicContact CZ2-CB 3.45Å; W126-A133 VanDerWaalsContact CZ2-CB 3.45Å; W126-A133 HydrophobicContact CZ3-CB 4.14Å; W126-I138 HydrophobicContact CH2-CD1 4.05Å; W126-I138 HydrophobicContact CZ3-CD1 4.23Å; W126-L144 HydrophobicContact CZ3-CD2 4.33Å
127F97.7Very high96.9Very high29 Ų2961.1 Ų61.113%0.12731%0.312CS..Hα-helixtrans-58.5-41.7174.7-82.5-62.5000112.6V123 E124 H129 A133 R134 I138 L140 L144V123-F127 HydrophobicContact CG1-CD2 3.59Å; V123-F127 HydrophobicContact CG1-CE2 3.32Å; V123-F127 HydrophobicContact CG1-CZ 4.41Å; V123-F127 WeakPolarHBondContact O-CD2 3.34Å; V123-F127 PolarHBondContact O-N 3.1Å; E124-F127 PolarHBondContact O-N 2.9Å; F127-H129 VanDerWaalsContact C-N 3.26Å; F127-H129 PolarHBondContact O-N 3.41Å; F127-A133 HydrophobicContact CD1-CB 3.59Å; F127-A133 HydrophobicContact CE1-CB 3.99Å; F127-A133 HydrophobicContact CG-CB 4.39Å; F127-R134 VanDerWaalsContact O-CG 3.26Å; F127-R134 WeakPolarHBondContact O-CG 3.44Å; F127-R134 PolarHBondContact O-NH1 2.84Å; F127-R134 VanDerWaalsContact O-NH1 3.07Å; F127-I138 HydrophobicContact CE1-CD1 4.16Å; F127-I138 HydrophobicContact CE1-CG1 3.76Å; F127-I138 HydrophobicContact CZ-CD1 3.91Å; F127-I138 HydrophobicContact CZ-CG1 3.61Å; F127-L140 HydrophobicContact CE2-CB 4.07Å; F127-L144 HydrophobicContact CE2-CD2 4.33Å; F127-L144 HydrophobicContact CZ-CD2 4.45Å
128N96.9Very high96.9Very high112 Ų11254.6 Ų54.660%0.59928%0.284SS*.Hα-helixtrans-66-28.2-178.5-71.2-25.1000112.7E124 N125 W126 R134E124-N128 WeakPolarHBondContact O-CB 3.46Å; E124-N128 PolarHBondContact O-N 2.87Å; E124-N128 PolarHBondContact O-ND2 3.11Å; N125-N128 PolarHBondContact O-N 2.78Å; W126-N128 VanDerWaalsContact C-N 3.3Å; W126-N128 PolarHBondContact O-N 3.24Å; N128-R134 VanDerWaalsContact C-NH1 3.27Å; N128-R134 PolarHBondContact O-NH1 2.81Å
129H96.7Very high96.9Very high115 Ų11557.2 Ų57.253%0.53230%0.297SS..Hα-helixtrans-113-19.4-174-59.391.3000114.7Y39 N125 W126 F127Y39-H129 HydrophobicContact CE1-CB 3.91Å; Y39-H129 HydrophobicContact CE2-CB 4.26Å; Y39-H129 WeakPolarHBondContact OH-CB 3.35Å; N125-H129 PolarHBondContact O-N 2.76Å; N125-H129 PolarHBondContact O-ND1 3.21Å; W126-H129 PolarHBondContact O-N 2.79Å; F127-H129 VanDerWaalsContact C-N 3.26Å; F127-H129 PolarHBondContact O-N 3.41Å
130S96.1Very high96.8Very high17 Ų1759.7 Ų59.712%0.11931%0.31CS..  trans-96.5118.8179.8177.90000112.3S34 W126 N132 A133 R134S34-S130 PolarHBondContact O-OG 3.34Å; W126-S130 WeakPolarHBondContact O-CB 3.21Å; W126-S130 PolarHBondContact O-N 3.24Å; S130-N132 VanDerWaalsContact C-N 3.31Å; S130-N132 PolarHBondContact O-N 3.19Å; S130-N132 PolarHBondContact OG-N 2.92Å; S130-A133 WeakPolarHBondContact O-CB 3.47Å; S130-A133 PolarHBondContact O-N 3.28Å; S130-A133 PolarHBondContact OG-N 3.36Å; S130-R134 PolarHBondContact O-N 3.31Å; S130-R134 PolarHBondContact O-NH1 3.35Å
131Q94.3Very high96.7Very high125 Ų12559.7 Ų59.758%0.58432%0.323SS*.Hα-helixtrans-63.1-38.3171.9-175.2176.4-3.900111.8A133 R134 L135Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.18Å; Q131-R134 PolarHBondContact O-N 2.93Å; Q131-L135 HydrophobicContact CG-CD1 3.79Å; Q131-L135 HydrophobicContact CG-CG 4.23Å; Q131-L135 WeakPolarHBondContact O-CB 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.41Å; Q131-L135 PolarHBondContact O-N 3.25Å
132N92.7Very high96.7Very high84 Ų8462.2 Ų62.245%0.44933%0.328SS..Hα-helixtrans-62.8-39.1177.8-69.9-6.3000111.3S34 S130 L135 S136S34-N132 PolarHBondContact OG-ND2 2.64Å; S130-N132 VanDerWaalsContact C-N 3.31Å; S130-N132 PolarHBondContact O-N 3.19Å; S130-N132 PolarHBondContact OG-N 2.92Å; N132-L135 PolarHBondContact O-N 3.45Å; N132-S136 WeakPolarHBondContact O-CB 3.41Å; N132-S136 PolarHBondContact O-N 3.28Å; N132-S136 VanDerWaalsContact O-N 3.08Å
133A94.6Very high96.7Very high0 Ų063.2 Ų63.20%033%0.332CS..Hα-helixtrans-61.3-49.5174.900000111.1W126 F127 S130 Q131 L135 S136W126-A133 HydrophobicContact CD2-CB 3.87Å; W126-A133 VanDerWaalsContact CE2-CB 3.49Å; W126-A133 HydrophobicContact CE3-CB 4.16Å; W126-A133 HydrophobicContact CH2-CB 3.8Å; W126-A133 HydrophobicContact CZ2-CB 3.45Å; W126-A133 VanDerWaalsContact CZ2-CB 3.45Å; W126-A133 HydrophobicContact CZ3-CB 4.14Å; F127-A133 HydrophobicContact CD1-CB 3.59Å; F127-A133 HydrophobicContact CE1-CB 3.99Å; F127-A133 HydrophobicContact CG-CB 4.39Å; S130-A133 WeakPolarHBondContact O-CB 3.47Å; S130-A133 PolarHBondContact O-N 3.28Å; S130-A133 PolarHBondContact OG-N 3.36Å; Q131-A133 VanDerWaalsContact C-N 3.3Å; Q131-A133 PolarHBondContact O-N 3.18Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 2.82Å; A133-S136 WeakPolarHBondContact O-CB 3.43Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.77Å
134R93.2Very high96.7Very high134 Ų13463.2 Ų63.251%0.50633%0.332SS..Hα-helixtrans-62.9-36.7179.9-68.1-172.5-68.1-91.18.9113.8F127 N128 S130 Q131F127-R134 VanDerWaalsContact O-CG 3.26Å; F127-R134 WeakPolarHBondContact O-CG 3.44Å; F127-R134 PolarHBondContact O-NH1 2.84Å; F127-R134 VanDerWaalsContact O-NH1 3.07Å; N128-R134 VanDerWaalsContact C-NH1 3.27Å; N128-R134 PolarHBondContact O-NH1 2.81Å; S130-R134 PolarHBondContact O-N 3.31Å; S130-R134 PolarHBondContact O-NH1 3.35Å; Q131-R134 PolarHBondContact O-N 2.93Å
135L96Very high96.8Very high126 Ų12660.8 Ų60.866%0.6632%0.32SS*.Hα-helixtrans-85.4-7.4-179.2-65.2-179.8000113.6Q131 N132 A133 G137Q131-L135 HydrophobicContact CG-CD1 3.79Å; Q131-L135 HydrophobicContact CG-CG 4.23Å; Q131-L135 WeakPolarHBondContact O-CB 3.27Å; Q131-L135 WeakPolarHBondContact O-CG 3.41Å; Q131-L135 PolarHBondContact O-N 3.25Å; N132-L135 PolarHBondContact O-N 3.45Å; A133-L135 VanDerWaalsContact C-N 3.34Å; A133-L135 PolarHBondContact O-N 2.82Å; L135-G137 PolarHBondContact O-N 3.23Å
136S96.6Very high96.8Very high29 Ų2958.5 Ų58.520%0.20331%0.307CS..THydrogen-bonded Turntrans-70.7-19.2-177.968.90000114N132 A133 I138N132-S136 WeakPolarHBondContact O-CB 3.41Å; N132-S136 PolarHBondContact O-N 3.28Å; N132-S136 VanDerWaalsContact O-N 3.08Å; A133-S136 WeakPolarHBondContact O-CB 3.43Å; A133-S136 PolarHBondContact O-N 2.84Å; A133-S136 PolarHBondContact O-OG 2.77Å; S136-I138 PolarHBondContact O-N 2.8Å; S136-I138 VanDerWaalsContact OG-CG1 3.24Å; S136-I138 WeakPolarHBondContact OG-CG1 3.41Å; S136-I138 PolarHBondContact OG-N 2.91Å
137G96.3Very high96.8Very high42 Ų4259.8 Ų59.843%0.43332%0.315SS..  trans72.75.2-17500000114.4L135L135-G137 PolarHBondContact O-N 3.23Å
138I98.1Very high96.9Very high9 Ų961.4 Ų61.45%0.04633%0.327CS..  trans-83.2145.9172.381.4-170.2000109.6A97 L98 W126 F127 S136 Q143A97-I138 HydrophobicContact CB-CD1 3.91Å; L98-I138 HydrophobicContact CD2-CD1 4.03Å; W126-I138 HydrophobicContact CH2-CD1 4.05Å; W126-I138 HydrophobicContact CZ3-CD1 4.23Å; F127-I138 HydrophobicContact CE1-CD1 4.16Å; F127-I138 HydrophobicContact CE1-CG1 3.76Å; F127-I138 HydrophobicContact CZ-CD1 3.91Å; F127-I138 HydrophobicContact CZ-CG1 3.61Å; S136-I138 PolarHBondContact O-N 2.8Å; S136-I138 VanDerWaalsContact OG-CG1 3.24Å; S136-I138 WeakPolarHBondContact OG-CG1 3.41Å; S136-I138 PolarHBondContact OG-N 2.91Å; I138-Q143 HydrophobicContact CB-CB 4.07Å; I138-Q143 HydrophobicContact CG2-CB 4.36Å
139E97.6Very high97Very high94 Ų9457 Ų5744%0.43931%0.309SS..  trans-123.7139.5175.4-62.5176.3-112.500110.7G141 K142 Q143 L144E139-G141 PolarHBondContact O-N 3.33Å; E139-K142 HydrophobicContact CB-CB 4.2Å; E139-K142 HydrophobicContact CB-CD 4.08Å; E139-K142 HydrophobicContact CB-CG 4.35Å; E139-K142 HydrophobicContact CG-CD 4.47Å; E139-K142 PolarHBondContact O-N 3.29Å; E139-K142 VanDerWaalsContact O-N 3.12Å; E139-K142 IonicContact OE1-NZ 3.99Å; E139-K142 PolarHBondContact OE1-NZ 3.43Å; E139-K142 WeakPolarHBondContact OE2-CE 3.36Å; E139-K142 IonicContact OE2-NZ 3.8Å; E139-K142 PolarHBondContact OE2-NZ 2.93Å; E139-Q143 PolarHBondContact O-N 2.93Å; E139-L144 PolarHBondContact O-N 3.21Å
140L97.6Very high97Very high51 Ų5154.1 Ų54.127%0.26730%0.297SS..BIsolated β-bridgetrans-63131.3171.1-177.662.1000109.8L120 V123 E124 F127 K142 L144 L146L120-L140 HydrophobicContact CD2-CD1 3.89Å; L120-L140 HydrophobicContact CD2-CD2 3.95Å; L120-L140 HydrophobicContact CD2-CG 4.23Å; V123-L140 HydrophobicContact CG1-CD1 3.98Å; V123-L140 HydrophobicContact CG1-CD2 4.38Å; E124-L140 HydrophobicContact CG-CD2 3.81Å; F127-L140 HydrophobicContact CE2-CB 4.07Å; L140-K142 VanDerWaalsContact C-N 3.32Å; L140-L144 CarbonylContact C-O 3.53Å; L140-L144 WeakPolarHBondContact CA-O 3.43Å; L140-L144 HydrophobicContact CD1-CG 4.26Å; L140-L146 HydrophobicContact CD1-CD1 4.31Å
141G97.5Very high97.1Very high55 Ų5553.6 Ų53.657%0.56730%0.295SS*.THydrogen-bonded Turntrans87.4-9.9-174.200000114.8E139 L144E139-G141 PolarHBondContact O-N 3.33Å; G141-L144 PolarHBondContact N-O 2.81Å
142K98Very high97.3Very high108 Ų10851.4 Ų51.447%0.4728%0.281SS..THydrogen-bonded Turntrans-112-85.2175.1-63.4-178.9-174.51620111E139 L140 K145E139-K142 HydrophobicContact CB-CB 4.2Å; E139-K142 HydrophobicContact CB-CD 4.08Å; E139-K142 HydrophobicContact CB-CG 4.35Å; E139-K142 HydrophobicContact CG-CD 4.47Å; E139-K142 PolarHBondContact O-N 3.29Å; E139-K142 VanDerWaalsContact O-N 3.12Å; E139-K142 IonicContact OE1-NZ 3.99Å; E139-K142 PolarHBondContact OE1-NZ 3.43Å; E139-K142 WeakPolarHBondContact OE2-CE 3.36Å; E139-K142 IonicContact OE2-NZ 3.8Å; E139-K142 PolarHBondContact OE2-NZ 2.93Å; L140-K142 VanDerWaalsContact C-N 3.32Å; K142-K145 WeakPolarHBondContact O-CE 3.11Å; K142-K145 WeakPolarHBondContact O-CG 3.34Å
143Q98.6Very high97.6Very high32 Ų3253.1 Ų53.115%0.1529%0.287CS..THydrogen-bonded Turntrans-81.4-25.8179.9-62.983.18.100112.5P102 G104 V105 A106 I138 E139P102-Q143 WeakPolarHBondContact O-CG 3.26Å; P102-Q143 PolarHBondContact O-NE2 3.19Å; P102-Q143 VanDerWaalsContact O-NE2 3.11Å; G104-Q143 WeakPolarHBondContact O-CB 3.41Å; G104-Q143 VanDerWaalsContact O-CG 3.23Å; G104-Q143 WeakPolarHBondContact O-CG 3.28Å; V105-Q143 CarbonylContact C-O 3.57Å; V105-Q143 WeakPolarHBondContact CA-O 3.36Å; A106-Q143 PolarHBondContact N-O 2.99Å; I138-Q143 HydrophobicContact CB-CB 4.07Å; I138-Q143 HydrophobicContact CG2-CB 4.36Å; E139-Q143 PolarHBondContact O-N 2.93Å
144L98.8Very high97.7Very high0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-113.5107.9171.1174.548.7000108.3T93 A94 A97 V123 W126 F127 E139 L140 G141T93-L144 HydrophobicContact CG2-CD1 3.51Å; A94-L144 HydrophobicContact CB-CD2 4.24Å; A97-L144 HydrophobicContact CB-CB 3.87Å; A97-L144 HydrophobicContact CB-CD1 4.04Å; A97-L144 HydrophobicContact CB-CD2 4.19Å; A97-L144 HydrophobicContact CB-CG 4.25Å; V123-L144 HydrophobicContact CG1-CD2 3.55Å; V123-L144 HydrophobicContact CG1-CG 4.43Å; V123-L144 HydrophobicContact CG2-CD2 4.13Å; W126-L144 HydrophobicContact CZ3-CD2 4.33Å; F127-L144 HydrophobicContact CE2-CD2 4.33Å; F127-L144 HydrophobicContact CZ-CD2 4.45Å; E139-L144 PolarHBondContact O-N 3.21Å; L140-L144 CarbonylContact C-O 3.53Å; L140-L144 WeakPolarHBondContact CA-O 3.43Å; L140-L144 HydrophobicContact CD1-CG 4.26Å; G141-L144 PolarHBondContact N-O 2.81Å
145K98.9Very high98Very high50 Ų5050.2 Ų50.222%0.21728%0.276CS..EExtended strand (participates in β ladder)trans-110.8135.2178.5-56.1-175.5-173.41780109.6V105 A106 V107 G108 K142 D158V105-K145 HydrophobicContact CG1-CD 4.18Å; V105-K145 HydrophobicContact CG1-CG 4.4Å; A106-K145 PolarHBondContact O-N 2.98Å; V107-K145 CarbonylContact C-O 3.47Å; V107-K145 WeakPolarHBondContact CA-O 3.45Å; V107-K145 HydrophobicContact CG1-CB 4.35Å; V107-K145 HydrophobicContact CG2-CB 4.26Å; V107-K145 HydrophobicContact CG2-CD 4.27Å; G108-K145 PolarHBondContact N-O 3.43Å; K142-K145 WeakPolarHBondContact O-CE 3.11Å; K142-K145 WeakPolarHBondContact O-CG 3.34Å; K145-D158 WeakPolarHBondContact CD-OD2 3.5Å; K145-D158 IonicContact NZ-OD1 3.07Å; K145-D158 PolarHBondContact NZ-OD1 3.14Å; K145-D158 IonicContact NZ-OD2 3.77Å; K145-D158 PolarHBondContact NZ-OD2 3.14Å
146L98.9Very high98.1Very high16 Ų1648.4 Ų48.48%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-125.1114.6173.2-68.5168000107.3T93 G108 L120 V123 L140T93-L146 HydrophobicContact CG2-CD2 4.13Å; G108-L146 WeakPolarHBondContact O-CA 3.43Å; L120-L146 HydrophobicContact CD2-CB 3.93Å; L120-L146 HydrophobicContact CD2-CD1 4.12Å; L120-L146 HydrophobicContact CG-CB 4.24Å; L120-L146 HydrophobicContact CG-CD1 4.35Å; V123-L146 HydrophobicContact CB-CD1 4.33Å; V123-L146 HydrophobicContact CG2-CD1 3.81Å; L140-L146 HydrophobicContact CD1-CD1 4.31Å
147V98.8Very high98.2Very high28 Ų2851.6 Ų51.617%0.1729%0.294CS..EExtended strand (participates in β ladder)trans-126.8148.3-169.9-600000111.2V107 G108 I109 E110 W155V107-V147 HydrophobicContact CG1-CG2 3.95Å; G108-V147 PolarHBondContact O-N 2.84Å; I109-V147 WeakPolarHBondContact CA-O 2.99Å; I109-V147 HydrophobicContact CB-CG2 4.02Å; I109-V147 HydrophobicContact CG1-CG2 4.15Å; E110-V147 PolarHBondContact N-O 2.73Å; V147-W155 HydrophobicContact CB-CH2 4.39Å; V147-W155 HydrophobicContact CB-CZ2 4.45Å; V147-W155 HydrophobicContact CG1-CZ2 4.15Å; V147-W155 HydrophobicContact CG2-CD2 3.99Å; V147-W155 HydrophobicContact CG2-CE3 4.01Å; V147-W155 HydrophobicContact CG2-CH2 4.41Å; V147-W155 HydrophobicContact CG2-CZ2 4.4Å; V147-W155 HydrophobicContact CG2-CZ3 4.23Å
148T98.6Very high98.2Very high62 Ų6250.6 Ų50.638%0.3828%0.279SS..EExtended strand (participates in β ladder)trans-88.9128.4171.1-56.40000109.8E110 D113 T116E110-T148 CarbonylContact O-C 3.58Å; E110-T148 WeakPolarHBondContact O-CA 3.35Å; D113-T148 HydrophobicContact CB-CG2 4.36Å; D113-T148 WeakPolarHBondContact OD1-CG2 3.25Å; T116-T148 VanDerWaalsContact CB-OG1 3.24Å; T116-T148 WeakPolarHBondContact CB-OG1 3.36Å; T116-T148 WeakPolarHBondContact CG2-OG1 3.48Å; T116-T148 PolarHBondContact OG1-OG1 2.89Å
149G98.1Very high98.2Very high20 Ų2051.8 Ų51.821%0.20629%0.29CS..SBendtrans179.5169.8176.100000113.1E110 H111 G151E110-G149 CarbonylContact C-O 3.56Å; E110-G149 PolarHBondContact O-N 3.42Å; H111-G149 VanDerWaalsContact CA-O 3.24Å; H111-G149 WeakPolarHBondContact CA-O 3.38Å; H111-G149 WeakPolarHBondContact CB-O 3.29Å; H111-G149 PolarHBondContact N-O 3.32Å; G149-G151 PolarHBondContact O-N 3.27Å
150D97.8Very high98.3Very high54 Ų5450.5 Ų50.529%0.28929%0.29SS..  trans-74.3106.5174.8-170.8-15.7000110.5R152 E153D150-R152 PolarHBondContact O-N 3.46Å; D150-R152 VanDerWaalsContact OD1-CB 3.27Å; D150-R152 WeakPolarHBondContact OD1-CB 3.5Å; D150-R152 WeakPolarHBondContact OD1-CG 3.49Å; D150-R152 IonicContact OD1-CZ 3.28Å; D150-R152 PolarHBondContact OD1-N 3.08Å; D150-R152 IonicContact OD1-NE 3.84Å; D150-R152 PolarHBondContact OD1-NE 3.04Å; D150-R152 IonicContact OD1-NH2 3.15Å; D150-R152 IonicContact OD2-CZ 2.64Å; D150-R152 VanDerWaalsContact OD2-CZ 3.25Å; D150-R152 IonicContact OD2-NE 3.96Å; D150-R152 PolarHBondContact OD2-NE 3.19Å; D150-R152 IonicContact OD2-NH2 3.79Å; D150-R152 PolarHBondContact OD2-NH2 2.74Å; D150-E153 HydrophobicContact CB-CG 4.26Å; D150-E153 PolarHBondContact O-N 3.23Å
151G98.2Very high98.4Very high7 Ų748.1 Ų48.17%0.07228%0.278CS..G310 helixtrans-56.9-21.7178.900000115.1V85 G149 E153 G154V85-G151 WeakPolarHBondContact CG1-O 3.5Å; G149-G151 PolarHBondContact O-N 3.27Å; G151-E153 VanDerWaalsContact C-N 3.26Å; G151-E153 PolarHBondContact O-N 2.71Å; G151-G154 PolarHBondContact O-N 3.24Å
152R98.1Very high98.4Very high79 Ų7947.4 Ų47.430%0.29826%0.261SS..G310 helixtrans-68.9-28.6177.2-60.4172.1-66.5-176.13.2112.2D150 G154 P174 L224D150-R152 PolarHBondContact O-N 3.46Å; D150-R152 VanDerWaalsContact OD1-CB 3.27Å; D150-R152 WeakPolarHBondContact OD1-CB 3.5Å; D150-R152 WeakPolarHBondContact OD1-CG 3.49Å; D150-R152 IonicContact OD1-CZ 3.28Å; D150-R152 PolarHBondContact OD1-N 3.08Å; D150-R152 IonicContact OD1-NE 3.84Å; D150-R152 PolarHBondContact OD1-NE 3.04Å; D150-R152 IonicContact OD1-NH2 3.15Å; D150-R152 IonicContact OD2-CZ 2.64Å; D150-R152 VanDerWaalsContact OD2-CZ 3.25Å; D150-R152 IonicContact OD2-NE 3.96Å; D150-R152 PolarHBondContact OD2-NE 3.19Å; D150-R152 IonicContact OD2-NH2 3.79Å; D150-R152 PolarHBondContact OD2-NH2 2.74Å; R152-G154 VanDerWaalsContact C-N 3.32Å; R152-P174 HydrophobicContact CB-CG 4.23Å; R152-P174 VanDerWaalsContact O-CB 3.25Å; R152-P174 WeakPolarHBondContact O-CB 3.28Å; R152-L224 HydrophobicContact CG-CD1 4.32Å; R152-L224 HydrophobicContact CG-CD2 3.96Å; R152-L224 HydrophobicContact CG-CG 3.87Å
153E98.4Very high98.5Very high120 Ų12042.3 Ų42.356%0.56124%0.239SC*.G310 helixtrans-87.7-3177.5-57.7-54.8129.400112.3D150 G151 Q180D150-E153 HydrophobicContact CB-CG 4.26Å; D150-E153 PolarHBondContact O-N 3.23Å; G151-E153 VanDerWaalsContact C-N 3.26Å; G151-E153 PolarHBondContact O-N 2.71Å; E153-Q180 PolarHBondContact O-NE2 2.9Å
154G98.5Very high98.5Very high3 Ų340.8 Ų40.83%0.03123%0.232CC..  trans62.1-149.4-174.200000112.4I109 G151 R152I109-G154 WeakPolarHBondContact CD1-O 3.38Å; G151-G154 PolarHBondContact O-N 3.24Å; R152-G154 VanDerWaalsContact C-N 3.32Å
155W98.6Very high98.5Very high69 Ų6941 Ų4126%0.26123%0.233SC..  trans-141.385.5177.7-173.3-106.7000111.2L83 V107 I109 V147 S157 D158 Y161L83-W155 HydrophobicContact CD1-CB 3.94Å; V107-W155 HydrophobicContact CG1-CB 4.43Å; V107-W155 HydrophobicContact CG1-CG 4.07Å; I109-W155 HydrophobicContact CD1-CB 4.48Å; I109-W155 HydrophobicContact CD1-CE3 4.14Å; V147-W155 HydrophobicContact CB-CH2 4.39Å; V147-W155 HydrophobicContact CB-CZ2 4.45Å; V147-W155 HydrophobicContact CG1-CZ2 4.15Å; V147-W155 HydrophobicContact CG2-CD2 3.99Å; V147-W155 HydrophobicContact CG2-CE3 4.01Å; V147-W155 HydrophobicContact CG2-CH2 4.41Å; V147-W155 HydrophobicContact CG2-CZ2 4.4Å; V147-W155 HydrophobicContact CG2-CZ3 4.23Å; W155-S157 PolarHBondContact O-N 3.19Å; W155-D158 PolarHBondContact NE1-OD2 2.81Å; W155-D158 PolarHBondContact O-N 2.93Å; W155-Y161 WeakPolarHBondContact CB-OH 3.22Å; W155-Y161 PolarHBondContact O-OH 3.02Å
156P98.5Very high98.5Very high88 Ų8838.7 Ų38.757%0.57122%0.223SC*.G310 helixtrans-59.2-24.5-173.1-2734.9000115.2D158 A159P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 2.88Å; P156-A159 WeakPolarHBondContact O-CB 3.43Å; P156-A159 PolarHBondContact O-N 2.93Å
157S97.9Very high98.4Very high96 Ų9638.5 Ų38.567%0.67123%0.225SC*.G310 helixtrans-67-22.1-173.5-56.60000114.7W155W155-S157 PolarHBondContact O-N 3.19Å
158D97.7Very high98.4Very high21 Ų2137.5 Ų37.511%0.11222%0.22CC..G310 helixtrans-118.13.7176.9-72.1-71.7000113H81 V107 K145 W155 P156 Y161H81-D158 PolarHBondContact ND1-O 2.97Å; H81-D158 VanDerWaalsContact ND1-O 3.08Å; V107-D158 HydrophobicContact CG2-CB 3.86Å; K145-D158 WeakPolarHBondContact CD-OD2 3.5Å; K145-D158 IonicContact NZ-OD1 3.07Å; K145-D158 PolarHBondContact NZ-OD1 3.14Å; K145-D158 IonicContact NZ-OD2 3.77Å; K145-D158 PolarHBondContact NZ-OD2 3.14Å; W155-D158 PolarHBondContact NE1-OD2 2.81Å; W155-D158 PolarHBondContact O-N 2.93Å; P156-D158 VanDerWaalsContact C-N 3.26Å; P156-D158 PolarHBondContact O-N 2.88Å; D158-Y161 HydrophobicContact CB-CE1 4.17Å
159A98Very high98.3Very high34 Ų3434.7 Ų34.728%0.28120%0.203SC..  trans-69.7157.1174.700000111.1P156 Y161 Q180P156-A159 WeakPolarHBondContact O-CB 3.43Å; P156-A159 PolarHBondContact O-N 2.93Å; A159-Y161 HydrophobicContact CB-CD2 4.18Å; A159-Y161 HydrophobicContact CB-CE2 3.85Å; A159-Q180 HydrophobicContact CB-CB 4.03Å; A159-Q180 HydrophobicContact CB-CG 3.93Å
160P98.7Very high98.2Very high68 Ų6833.8 Ų33.844%0.44219%0.193SC..SBendcis-82.4158.41.835.6-37.2000113.2Q180 K182P160-Q180 CarbonylContact C-O 3.56Å; P160-Q180 VanDerWaalsContact CA-O 3.23Å; P160-Q180 WeakPolarHBondContact CA-O 3.38Å; P160-K182 HydrophobicContact CB-CG 3.56Å; P160-K182 HydrophobicContact CG-CD 4.39Å; P160-K182 HydrophobicContact CG-CG 3.64Å; P160-K182 WeakPolarHBondContact O-CE 3.26Å
161Y98.9Very high98.1Very high1 Ų135.2 Ų35.20%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-106.4137.9-174-63.4-68.6000113.3H81 L83 V107 W155 D158 A159 I164 Q180 K182H81-Y161 HydrophobicContact CB-CD1 4.08Å; H81-Y161 CarbonylContact O-C 3.57Å; H81-Y161 WeakPolarHBondContact O-CA 3.38Å; L83-Y161 HydrophobicContact CB-CD1 3.97Å; L83-Y161 HydrophobicContact CB-CD2 3.9Å; L83-Y161 HydrophobicContact CB-CE1 3.92Å; L83-Y161 HydrophobicContact CB-CE2 3.85Å; L83-Y161 HydrophobicContact CB-CG 3.96Å; L83-Y161 HydrophobicContact CD1-CE2 4.43Å; L83-Y161 HydrophobicContact CD2-CD2 4.18Å; L83-Y161 HydrophobicContact CD2-CE2 3.8Å; L83-Y161 HydrophobicContact CG-CE2 4.25Å; V107-Y161 HydrophobicContact CG2-CE1 4.45Å; W155-Y161 WeakPolarHBondContact CB-OH 3.22Å; W155-Y161 PolarHBondContact O-OH 3.02Å; D158-Y161 HydrophobicContact CB-CE1 4.17Å; A159-Y161 HydrophobicContact CB-CD2 4.18Å; A159-Y161 HydrophobicContact CB-CE2 3.85Å; Y161-I164 HydrophobicContact CD2-CD1 4.09Å; Y161-I164 HydrophobicContact CD2-CG1 4.21Å; Y161-I164 HydrophobicContact CG-CG1 4.21Å; Y161-Q180 HydrophobicContact CD2-CB 4.02Å; Y161-Q180 HydrophobicContact CE2-CB 4.35Å; Y161-Q180 PolarHBondContact N-O 2.99Å; Y161-K182 WeakPolarHBondContact O-CB 3.36Å; Y161-K182 PolarHBondContact O-N 3.02Å
162D98.9Very high97.8Very high39 Ų3939.9 Ų39.921%0.20923%0.232CC..EExtended strand (participates in β ladder)trans-73.5-33.8169.7-57.5-81000111.4A80 H81 K182 G185 R186A80-D162 VanDerWaalsContact CA-OD2 3.32Å; A80-D162 WeakPolarHBondContact CA-OD2 3.36Å; A80-D162 HydrophobicContact CB-CB 3.99Å; H81-D162 PolarHBondContact N-OD2 3Å; H81-D162 PolarHBondContact O-N 3.23Å; D162-K182 VanDerWaalsContact CG-NZ 3.26Å; D162-K182 VanDerWaalsContact OD1-CD 3.24Å; D162-K182 WeakPolarHBondContact OD1-CD 3.04Å; D162-K182 IonicContact OD1-NZ 3.05Å; D162-K182 PolarHBondContact OD1-NZ 3.14Å; D162-K182 VanDerWaalsContact OD1-NZ 3.12Å; D162-K182 IonicContact OD2-NZ 2.65Å; D162-K182 PolarHBondContact OD2-NZ 3.33Å; D162-G185 CarbonylContact O-C 3.53Å; D162-G185 WeakPolarHBondContact O-CA 3.43Å; D162-R186 PolarHBondContact O-N 2.66Å
163A99Very high97.7Very high1 Ų136.1 Ų36.11%0.00822%0.218CC..EExtended strand (participates in β ladder)trans-139.9139.4176.900000112.4L72 H75 L76 V82 L83 R186L72-A163 HydrophobicContact CB-CB 4.49Å; L72-A163 HydrophobicContact CD1-CB 4.49Å; L72-A163 HydrophobicContact CD2-CB 3.94Å; H75-A163 HydrophobicContact CB-CB 3.82Å; L76-A163 HydrophobicContact CD2-CB 3.97Å; V82-A163 CarbonylContact C-O 3.59Å; V82-A163 WeakPolarHBondContact CA-O 3.36Å; V82-A163 HydrophobicContact CB-CB 4.31Å; V82-A163 HydrophobicContact CG1-CB 3.83Å; L83-A163 PolarHBondContact N-O 3.47Å; A163-R186 CarbonylContact C-O 3.56Å; A163-R186 VanDerWaalsContact CA-O 3.23Å; A163-R186 WeakPolarHBondContact CA-O 3.28Å
164I98.9Very high97.7Very high0 Ų031.6 Ų31.60%020%0.199CC..EExtended strand (participates in β ladder)trans-126.8127.4172.5-58.4178000108.7L83 Y161 V166 L177 L181 R186 L187 I188L83-I164 HydrophobicContact CB-CG1 4.14Å; L83-I164 HydrophobicContact CB-CG2 4.35Å; L83-I164 HydrophobicContact CD2-CG2 4.29Å; L83-I164 CarbonylContact O-C 3.51Å; L83-I164 WeakPolarHBondContact O-CA 3.45Å; Y161-I164 HydrophobicContact CD2-CD1 4.09Å; Y161-I164 HydrophobicContact CD2-CG1 4.21Å; Y161-I164 HydrophobicContact CG-CG1 4.21Å; I164-V166 HydrophobicContact CG2-CG2 4.45Å; I164-L177 WeakPolarHBondContact CD1-O 3.42Å; I164-L181 HydrophobicContact CB-CD1 4.38Å; I164-L181 HydrophobicContact CD1-CB 4.23Å; I164-L181 HydrophobicContact CD1-CD1 3.85Å; I164-L181 HydrophobicContact CG1-CD1 3.78Å; I164-R186 PolarHBondContact N-O 2.88Å; I164-L187 HydrophobicContact CB-CB 4.2Å; I164-L187 HydrophobicContact CB-CD1 4.24Å; I164-L187 HydrophobicContact CB-CG 4.08Å; I164-L187 HydrophobicContact CD1-CD1 4.45Å; I164-L187 HydrophobicContact CG2-CD1 4.11Å; I164-L187 HydrophobicContact CG2-CG 4.16Å; I164-L187 CarbonylContact O-C 3.52Å; I164-L187 VanDerWaalsContact O-CA 3.26Å; I164-L187 WeakPolarHBondContact O-CA 3.29Å; I164-I188 PolarHBondContact O-N 3.05Å
165H98.9Very high97.7Very high6 Ų636.4 Ų36.43%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-108.1143.1167.1169.5-97.5000109.6L72 L83 D84 V85 L92 M96 G167 I188L72-H165 HydrophobicContact CD1-CB 3.93Å; L83-H165 PolarHBondContact O-N 3.04Å; D84-H165 IonicContact OD1-CE1 3.92Å; D84-H165 IonicContact OD1-CG 2.8Å; D84-H165 IonicContact OD1-ND1 3.62Å; D84-H165 PolarHBondContact OD1-ND1 3.03Å; V85-H165 PolarHBondContact N-O 3.44Å; L92-H165 HydrophobicContact CD2-CB 4.36Å; L92-H165 WeakPolarHBondContact CD2-CE1 3.38Å; L92-H165 VanDerWaalsContact CD2-ND1 3.28Å; L92-H165 WeakPolarHBondContact CD2-ND1 3.39Å; M96-H165 HydrophobicContact CE-CB 3.46Å; M96-H165 VanDerWaalsContact CE-CB 3.46Å; H165-G167 WeakPolarHBondContact CE1-CA 3.42Å; H165-G167 PolarHBondContact CE1-N 3.19Å; H165-G167 VanDerWaalsContact CE1-N 3.32Å; H165-I188 CarbonylContact C-O 3.58Å; H165-I188 WeakPolarHBondContact CA-O 3.35Å
166V98.8Very high97.7Very high0 Ų034 Ų340%022%0.219CC..EExtended strand (participates in β ladder)trans-119.2113.9169.3-168.80000109.1V85 I164 A168 L177 I188 C189 P190 L224V85-V166 HydrophobicContact CB-CB 4.39Å; V85-V166 HydrophobicContact CB-CG1 4.14Å; V85-V166 HydrophobicContact CB-CG2 4.26Å; V85-V166 HydrophobicContact CG1-CG1 4.02Å; I164-V166 HydrophobicContact CG2-CG2 4.45Å; V166-A168 VanDerWaalsContact CG1-O 3.28Å; V166-A168 WeakPolarHBondContact CG1-O 3.18Å; V166-A168 PolarHBondContact O-N 2.87Å; V166-L177 HydrophobicContact CG2-CD1 3.73Å; V166-I188 PolarHBondContact N-O 3.16Å; V166-C189 HydrophobicContact CB-CB 3.87Å; V166-C189 HydrophobicContact CG2-CB 3.74Å; V166-P190 WeakPolarHBondContact O-CD 3.46Å; V166-L224 HydrophobicContact CG1-CD1 4.27Å; V166-L224 HydrophobicContact CG1-CD2 4.24Å
167G98.1Very high97.7Very high12 Ų1229.9 Ų29.912%0.12419%0.192CC..SBendtrans-81.418.3178.200000114.5V85 H165 Y221V85-G167 WeakPolarHBondContact O-CA 3.4Å; V85-G167 PolarHBondContact O-N 3.39Å; H165-G167 WeakPolarHBondContact CE1-CA 3.42Å; H165-G167 PolarHBondContact CE1-N 3.19Å; H165-G167 VanDerWaalsContact CE1-N 3.32Å; G167-Y221 WeakPolarHBondContact O-CD1 3.5Å
168A97.2Very high97.7Very high8 Ų827.3 Ų27.37%0.06617%0.169CC..SBendtrans-149.8151.9-17900000110.8V166 V222 L224V166-A168 VanDerWaalsContact CG1-O 3.28Å; V166-A168 WeakPolarHBondContact CG1-O 3.18Å; V166-A168 PolarHBondContact O-N 2.87Å; A168-V222 CarbonylContact C-O 3.42Å; A168-V222 WeakPolarHBondContact CA-O 3.32Å; A168-V222 HydrophobicContact CB-CG2 4.43Å; A168-L224 HydrophobicContact CB-CB 3.88Å; A168-L224 HydrophobicContact CB-CD1 4.09Å
169A96.9Very high97.7Very high3 Ų332.9 Ų32.93%0.02519%0.194CC..BIsolated β-bridgetrans-82121-177.600000113.1P190 Q198 V222 L224A169-P190 CarbonylContact C-O 3.59Å; A169-P190 VanDerWaalsContact CA-O 3.27Å; A169-P190 WeakPolarHBondContact CA-O 3.33Å; A169-P190 HydrophobicContact CB-CB 4.06Å; A169-Q198 HydrophobicContact CB-CG 4.06Å; A169-Q198 VanDerWaalsContact CB-NE2 3.3Å; A169-V222 PolarHBondContact N-O 2.97Å; A169-L224 WeakPolarHBondContact O-CB 3.43Å; A169-L224 PolarHBondContact O-N 3.27Å
170A96.7Very high97.8Very high1 Ų132.2 Ų32.21%0.00819%0.185CC..BIsolated β-bridgetrans-95133.3174.500000110.7V172 P190 E191 G192 L224A170-V172 PolarHBondContact O-N 3.31Å; A170-P190 PolarHBondContact N-O 3.09Å; A170-E191 VanDerWaalsContact O-CA 3.26Å; A170-E191 WeakPolarHBondContact O-CA 3.34Å; A170-E191 WeakPolarHBondContact O-CG 3.43Å; A170-G192 PolarHBondContact O-N 3.04Å; A170-L224 HydrophobicContact CB-CB 4.29Å; A170-L224 HydrophobicContact CB-CD2 3.85Å
171P94.4Very high97.8Very high83 Ų8329 Ų2954%0.53916%0.164SC..SBendtrans-60-37.1168.3-24.134.2000112.1G192P171-G192 WeakPolarHBondContact CA-O 3.26Å
172V93.3Very high97.8Very high105 Ų10531.7 Ų31.764%0.63618%0.176SC*.SBendtrans-140.1129.5171.4179.30000107.1A170 P174A170-V172 PolarHBondContact O-N 3.31Å; V172-P174 WeakPolarHBondContact O-CD 3.39Å
173I96.2Very high97.8Very high0 Ų034 Ų340%019%0.188CC..  trans-60.1121.4177.6-66.2163.6000110.1K178 L187 C189 E191 V201 I203I173-K178 HydrophobicContact CG2-CG 4.37Å; I173-L187 HydrophobicContact CD1-CD2 4.34Å; I173-L187 HydrophobicContact CG2-CD1 4.17Å; I173-L187 HydrophobicContact CG2-CD2 4.11Å; I173-C189 HydrophobicContact CD1-CB 3.99Å; I173-C189 HydrophobicContact CG1-CB 3.97Å; I173-E191 HydrophobicContact CD1-CB 4.4Å; I173-E191 HydrophobicContact CG1-CB 4.42Å; I173-E191 HydrophobicContact CG1-CG 4.34Å; I173-E191 WeakPolarHBondContact CG1-OE1 3.16Å; I173-E191 PolarHBondContact N-OE1 2.87Å; I173-V201 HydrophobicContact CD1-CB 4.34Å; I173-V201 HydrophobicContact CD1-CG1 4.19Å; I173-I203 HydrophobicContact CD1-CD1 3.48Å; I173-I203 VanDerWaalsContact CD1-CD1 3.48Å; I173-I203 HydrophobicContact CD1-CG1 4.27Å; I173-I203 HydrophobicContact CG2-CD1 4.41Å
174P97.7Very high97.7Very high25 Ų2536.2 Ų36.216%0.16221%0.21CC..  trans-56.2138.2-178-2633.2000113.3R152 V172 A176 L177 L224R152-P174 HydrophobicContact CB-CG 4.23Å; R152-P174 VanDerWaalsContact O-CB 3.25Å; R152-P174 WeakPolarHBondContact O-CB 3.28Å; V172-P174 WeakPolarHBondContact O-CD 3.39Å; P174-A176 VanDerWaalsContact C-N 3.31Å; P174-A176 PolarHBondContact O-N 2.94Å; P174-L177 HydrophobicContact CB-CD1 4.44Å; P174-L177 HydrophobicContact CB-CG 4.24Å; P174-L177 HydrophobicContact CG-CD1 4.25Å; P174-L177 PolarHBondContact O-N 3.43Å; P174-L224 HydrophobicContact CG-CD2 3.89Å
175N97.8Very high97.7Very high105 Ų10536.2 Ų36.256%0.56121%0.21SC*.Hα-helixtrans-65-35.6179.7-74.7-19.1000112.2L177 K178 E179N175-L177 PolarHBondContact O-N 3.46Å; N175-K178 WeakPolarHBondContact O-CA 3.29Å; N175-K178 WeakPolarHBondContact O-CB 3.32Å; N175-K178 PolarHBondContact O-N 2.99Å; N175-E179 WeakPolarHBondContact O-CG 3.44Å; N175-E179 PolarHBondContact O-N 3.13Å
176A98.6Very high97.7Very high19 Ų1937.9 Ų37.916%0.15722%0.217CC..Hα-helixtrans-53.8-39.1176.500000112.2P174 E179 Q180P174-A176 VanDerWaalsContact C-N 3.31Å; P174-A176 PolarHBondContact O-N 2.94Å; A176-E179 PolarHBondContact O-N 3.05Å; A176-Q180 WeakPolarHBondContact O-CB 3.38Å; A176-Q180 VanDerWaalsContact O-CG 3.25Å; A176-Q180 WeakPolarHBondContact O-CG 3.46Å; A176-Q180 PolarHBondContact O-N 2.93Å
177L98.8Very high97.7Very high0 Ų037.9 Ų37.90%022%0.217CC..Hα-helixtrans-68.2-38.3176.8-59.7-176.8000112.3L83 V85 I164 V166 P174 N175 L181 L187L83-L177 HydrophobicContact CD2-CD2 4.03Å; V85-L177 HydrophobicContact CG2-CD1 4.32Å; V85-L177 HydrophobicContact CG2-CD2 3.89Å; I164-L177 WeakPolarHBondContact CD1-O 3.42Å; V166-L177 HydrophobicContact CG2-CD1 3.73Å; P174-L177 HydrophobicContact CB-CD1 4.44Å; P174-L177 HydrophobicContact CB-CG 4.24Å; P174-L177 HydrophobicContact CG-CD1 4.25Å; P174-L177 PolarHBondContact O-N 3.43Å; N175-L177 PolarHBondContact O-N 3.46Å; L177-L181 PolarHBondContact O-N 3.45Å; L177-L187 HydrophobicContact CB-CD1 3.71Å
178K98.5Very high97.8Very high43 Ų4337.3 Ų37.319%0.18721%0.211CC..Hα-helixtrans-67.9-39.1176-64.3177-172.9162.50111.6I173 N175 L181 F211I173-K178 HydrophobicContact CG2-CG 4.37Å; N175-K178 WeakPolarHBondContact O-CA 3.29Å; N175-K178 WeakPolarHBondContact O-CB 3.32Å; N175-K178 PolarHBondContact O-N 2.99Å; K178-L181 WeakPolarHBondContact O-CB 3.5Å; K178-L181 PolarHBondContact O-N 2.84Å; K178-F211 HydrophobicContact CB-CE1 3.83Å; K178-F211 HydrophobicContact CB-CE2 4.4Å; K178-F211 HydrophobicContact CB-CZ 3.75Å; K178-F211 HydrophobicContact CG-CE1 4.46Å
179E98.2Very high97.8Very high137 Ų13737 Ų3764%0.6421%0.207SC*.Hα-helixtrans-68-37.1179.4-72.4171.8-177.300112.2N175 A176 L181 R205N175-E179 WeakPolarHBondContact O-CG 3.44Å; N175-E179 PolarHBondContact O-N 3.13Å; A176-E179 PolarHBondContact O-N 3.05Å; E179-L181 PolarHBondContact O-N 3.4Å; E179-R205 PolarHBondContact O-NH1 3.22Å
180Q98.7Very high97.9Very high20 Ų2036.8 Ų36.89%0.09321%0.206CC..THydrogen-bonded Turntrans-76-6.5175.7-69172.940.100113.5E153 A159 P160 Y161 A176E153-Q180 PolarHBondContact O-NE2 2.9Å; A159-Q180 HydrophobicContact CB-CB 4.03Å; A159-Q180 HydrophobicContact CB-CG 3.93Å; P160-Q180 CarbonylContact C-O 3.56Å; P160-Q180 VanDerWaalsContact CA-O 3.23Å; P160-Q180 WeakPolarHBondContact CA-O 3.38Å; Y161-Q180 HydrophobicContact CD2-CB 4.02Å; Y161-Q180 HydrophobicContact CE2-CB 4.35Å; Y161-Q180 PolarHBondContact N-O 2.99Å; A176-Q180 WeakPolarHBondContact O-CB 3.38Å; A176-Q180 VanDerWaalsContact O-CG 3.25Å; A176-Q180 WeakPolarHBondContact O-CG 3.46Å; A176-Q180 PolarHBondContact O-N 2.93Å
181L98.8Very high97.9Very high0 Ų038.6 Ų38.60%022%0.215CC..EExtended strand (participates in β ladder)trans-81.1129.9177-163.167.2000110.8I164 L177 K178 E179 G185 L187 R205I164-L181 HydrophobicContact CB-CD1 4.38Å; I164-L181 HydrophobicContact CD1-CB 4.23Å; I164-L181 HydrophobicContact CD1-CD1 3.85Å; I164-L181 HydrophobicContact CG1-CD1 3.78Å; L177-L181 PolarHBondContact O-N 3.45Å; K178-L181 WeakPolarHBondContact O-CB 3.5Å; K178-L181 PolarHBondContact O-N 2.84Å; E179-L181 PolarHBondContact O-N 3.4Å; L181-G185 WeakPolarHBondContact CD2-O 3.27Å; L181-L187 HydrophobicContact CD1-CB 4.44Å; L181-L187 HydrophobicContact CD2-CB 3.97Å; L181-R205 HydrophobicContact CD2-CB 4.09Å; L181-R205 HydrophobicContact CG-CB 4.47Å; L181-R205 WeakPolarHBondContact O-CD 3.22Å; L181-R205 PolarHBondContact O-NH1 3.07Å
182K98.6Very high97.9Very high59 Ų5935.1 Ų35.126%0.25719%0.193SC..EExtended strand (participates in β ladder)trans-60.4155.8174.1-73.2178.8-174.1172.10111.2P160 Y161 D162 G184 G185 R205P160-K182 HydrophobicContact CB-CG 3.56Å; P160-K182 HydrophobicContact CG-CD 4.39Å; P160-K182 HydrophobicContact CG-CG 3.64Å; P160-K182 WeakPolarHBondContact O-CE 3.26Å; Y161-K182 WeakPolarHBondContact O-CB 3.36Å; Y161-K182 PolarHBondContact O-N 3.02Å; D162-K182 VanDerWaalsContact CG-NZ 3.26Å; D162-K182 VanDerWaalsContact OD1-CD 3.24Å; D162-K182 WeakPolarHBondContact OD1-CD 3.04Å; D162-K182 IonicContact OD1-NZ 3.05Å; D162-K182 PolarHBondContact OD1-NZ 3.14Å; D162-K182 VanDerWaalsContact OD1-NZ 3.12Å; D162-K182 IonicContact OD2-NZ 2.65Å; D162-K182 PolarHBondContact OD2-NZ 3.33Å; K182-G184 PolarHBondContact O-N 3.39Å; K182-G185 WeakPolarHBondContact O-CA 3.35Å; K182-G185 PolarHBondContact O-N 2.77Å; K182-R205 WeakPolarHBondContact O-CB 3.45Å
183I98.7Very high97.7Very high88 Ų8833.9 Ų33.945%0.45119%0.187SC..EExtended strand (participates in β ladder)trans-57.8128.8161.1-62.6-67.9000108.2G185 R205 L206I183-G185 VanDerWaalsContact C-N 3.27Å; I183-R205 HydrophobicContact CD1-CG 4.04Å; I183-L206 WeakPolarHBondContact CD1-O 3.47Å
184G98.5Very high97.2Very high46 Ų4638.5 Ų38.547%0.47421%0.209SC..EExtended strand (participates in β ladder)trans79.71.2-172.100000114.7H75 K182 R205H75-G184 PolarHBondContact CD2-O 2.9Å; H75-G184 PolarHBondContact NE2-O 2.79Å; K182-G184 PolarHBondContact O-N 3.39Å; G184-R205 VanDerWaalsContact CA-O 3.29Å; G184-R205 WeakPolarHBondContact CA-O 3.2Å; G184-R205 PolarHBondContact N-O 2.85Å
185G98.8Very high96.4Very high1 Ų141.3 Ų41.31%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-81.3162.117700000113.1D162 L181 K182 I183 D204 R205D162-G185 CarbonylContact O-C 3.53Å; D162-G185 WeakPolarHBondContact O-CA 3.43Å; L181-G185 WeakPolarHBondContact CD2-O 3.27Å; K182-G185 WeakPolarHBondContact O-CA 3.35Å; K182-G185 PolarHBondContact O-N 2.77Å; I183-G185 VanDerWaalsContact C-N 3.27Å; G185-D204 WeakPolarHBondContact O-CA 3.24Å; G185-R205 PolarHBondContact O-N 3.35Å
186R98.9Very high95.9Very high41 Ų4138 Ų3816%0.15523%0.233CC..EExtended strand (participates in β ladder)trans-123.4133.5179.9178.3171.3-70.1167.55.2113.3A71 L72 D162 A163 I164 I188 Q202 I203 D204A71-R186 WeakPolarHBondContact O-CD 3.46Å; A71-R186 PolarHBondContact O-NH1 2.96Å; L72-R186 HydrophobicContact CD2-CB 4.18Å; L72-R186 HydrophobicContact CD2-CG 3.78Å; D162-R186 PolarHBondContact O-N 2.66Å; A163-R186 CarbonylContact C-O 3.56Å; A163-R186 VanDerWaalsContact CA-O 3.23Å; A163-R186 WeakPolarHBondContact CA-O 3.28Å; I164-R186 PolarHBondContact N-O 2.88Å; R186-I188 HydrophobicContact CG-CD1 4.43Å; R186-I188 HydrophobicContact CG-CG1 4.34Å; R186-Q202 HydrophobicContact CG-CG 3.99Å; R186-Q202 VanDerWaalsContact CZ-NE2 3.29Å; R186-Q202 VanDerWaalsContact NE-CD 3.34Å; R186-I203 CarbonylContact C-O 3.56Å; R186-I203 WeakPolarHBondContact CA-O 3.45Å; R186-D204 IonicContact CZ-OD1 3.27Å; R186-D204 VanDerWaalsContact CZ-OD1 3.27Å; R186-D204 IonicContact NE-OD1 2.88Å; R186-D204 PolarHBondContact NE-OD1 2.98Å; R186-D204 IonicContact NE-OD2 3.25Å; R186-D204 IonicContact NH2-OD1 2.89Å; R186-D204 PolarHBondContact NH2-OD1 3.06Å; R186-D204 IonicContact NH2-OD2 3.81Å
187L98.9Very high95.6Very high0 Ų044.7 Ų44.70%027%0.266CS..EExtended strand (participates in β ladder)trans-111.3133.7170.5179.5158000110.2I164 I173 L177 L181 C189 Q202 I203I164-L187 HydrophobicContact CB-CB 4.2Å; I164-L187 HydrophobicContact CB-CD1 4.24Å; I164-L187 HydrophobicContact CB-CG 4.08Å; I164-L187 HydrophobicContact CD1-CD1 4.45Å; I164-L187 HydrophobicContact CG2-CD1 4.11Å; I164-L187 HydrophobicContact CG2-CG 4.16Å; I164-L187 CarbonylContact O-C 3.52Å; I164-L187 VanDerWaalsContact O-CA 3.26Å; I164-L187 WeakPolarHBondContact O-CA 3.29Å; I173-L187 HydrophobicContact CD1-CD2 4.34Å; I173-L187 HydrophobicContact CG2-CD1 4.17Å; I173-L187 HydrophobicContact CG2-CD2 4.11Å; L177-L187 HydrophobicContact CB-CD1 3.71Å; L181-L187 HydrophobicContact CD1-CB 4.44Å; L181-L187 HydrophobicContact CD2-CB 3.97Å; L187-C189 HydrophobicContact CD2-CB 3.52Å; L187-Q202 CarbonylContact O-C 3.56Å; L187-Q202 WeakPolarHBondContact O-CA 3.49Å; L187-I203 HydrophobicContact CB-CB 4.35Å; L187-I203 HydrophobicContact CD2-CB 4.49Å; L187-I203 PolarHBondContact N-O 3.08Å; L187-I203 PolarHBondContact O-N 3.27Å
188I98.7Very high95.4Very high0 Ų045.5 Ų45.50%027%0.27CS..EExtended strand (participates in β ladder)trans-118.4120.8171.3-61.8-72.9000108.7A71 L72 I164 H165 V166 R186 L200 V201 Q202 L216A71-I188 HydrophobicContact CB-CD1 3.68Å; A71-I188 HydrophobicContact CB-CG1 3.94Å; L72-I188 HydrophobicContact CD1-CG1 4.46Å; L72-I188 HydrophobicContact CD2-CB 4.38Å; L72-I188 HydrophobicContact CD2-CG1 3.56Å; L72-I188 HydrophobicContact CG-CG1 3.86Å; I164-I188 PolarHBondContact O-N 3.05Å; H165-I188 CarbonylContact C-O 3.58Å; H165-I188 WeakPolarHBondContact CA-O 3.35Å; V166-I188 PolarHBondContact N-O 3.16Å; R186-I188 HydrophobicContact CG-CD1 4.43Å; R186-I188 HydrophobicContact CG-CG1 4.34Å; I188-L200 HydrophobicContact CG2-CD1 3.59Å; I188-L200 HydrophobicContact CG2-CD2 4Å; I188-L200 HydrophobicContact CG2-CG 3.77Å; I188-V201 CarbonylContact C-O 3.53Å; I188-V201 WeakPolarHBondContact CA-O 3.43Å; I188-Q202 HydrophobicContact CD1-CB 3.61Å; I188-Q202 HydrophobicContact CD1-CG 3.77Å; I188-L216 HydrophobicContact CD1-CD1 3.8Å
189C98.5Very high95.3Very high0 Ų044.6 Ų44.60%027%0.271CS..EExtended strand (participates in β ladder)trans-144.4130.6-177.1-179.20000111.1V166 I173 L187 E191 V201V166-C189 HydrophobicContact CB-CB 3.87Å; V166-C189 HydrophobicContact CG2-CB 3.74Å; I173-C189 HydrophobicContact CD1-CB 3.99Å; I173-C189 HydrophobicContact CG1-CB 3.97Å; L187-C189 HydrophobicContact CD2-CB 3.52Å; C189-E191 PolarHBondContact O-N 3.11Å; C189-V201 PolarHBondContact N-O 2.97Å; C189-V201 WeakPolarHBondContact O-CB 3.27Å; C189-V201 PolarHBondContact O-N 2.83Å
190P97.9Very high95.3Very high0 Ų038.2 Ų38.20%024%0.241CC..EExtended strand (participates in β ladder)trans-62.8122.6164-14.427.8000109.4V166 A169 A170 A199 L200 V219 Y221V166-P190 WeakPolarHBondContact O-CD 3.46Å; A169-P190 CarbonylContact C-O 3.59Å; A169-P190 VanDerWaalsContact CA-O 3.27Å; A169-P190 WeakPolarHBondContact CA-O 3.33Å; A169-P190 HydrophobicContact CB-CB 4.06Å; A170-P190 PolarHBondContact N-O 3.09Å; P190-A199 CarbonylContact C-O 3.56Å; P190-A199 WeakPolarHBondContact CA-O 3.49Å; P190-L200 HydrophobicContact CG-CD1 3.97Å; P190-V219 HydrophobicContact CB-CG2 3.86Å; P190-Y221 HydrophobicContact CB-CD2 3.68Å; P190-Y221 HydrophobicContact CB-CE2 4.11Å; P190-Y221 HydrophobicContact CB-CG 3.91Å; P190-Y221 HydrophobicContact CG-CD1 3.69Å; P190-Y221 HydrophobicContact CG-CD2 3.39Å; P190-Y221 HydrophobicContact CG-CE1 3.74Å; P190-Y221 HydrophobicContact CG-CE2 3.46Å; P190-Y221 VanDerWaalsContact CG-CE2 3.46Å; P190-Y221 HydrophobicContact CG-CG 3.5Å; P190-Y221 VanDerWaalsContact CG-CG 3.5Å
191E97.6Very high95.3Very high39 Ų3937.3 Ų37.318%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-121.5133.1178.4-168.3175.5-118.900110.3A170 I173 C189 Q198 A199 V201 R213A170-E191 VanDerWaalsContact O-CA 3.26Å; A170-E191 WeakPolarHBondContact O-CA 3.34Å; A170-E191 WeakPolarHBondContact O-CG 3.43Å; I173-E191 HydrophobicContact CD1-CB 4.4Å; I173-E191 HydrophobicContact CG1-CB 4.42Å; I173-E191 HydrophobicContact CG1-CG 4.34Å; I173-E191 WeakPolarHBondContact CG1-OE1 3.16Å; I173-E191 PolarHBondContact N-OE1 2.87Å; C189-E191 PolarHBondContact O-N 3.11Å; E191-Q198 WeakPolarHBondContact O-CA 3.14Å; E191-A199 PolarHBondContact N-O 3.32Å; E191-A199 PolarHBondContact O-N 3.29Å; E191-V201 HydrophobicContact CB-CB 4.49Å; E191-V201 HydrophobicContact CB-CG2 3.75Å; E191-R213 IonicContact OE2-CZ 2.72Å; E191-R213 IonicContact OE2-NE 3.92Å; E191-R213 PolarHBondContact OE2-NE 3.24Å; E191-R213 IonicContact OE2-NH2 2.84Å; E191-R213 PolarHBondContact OE2-NH2 2.94Å
192G94.4Very high95.3Very high9 Ų938.3 Ų38.39%0.09324%0.241CC..SBendtrans161.3162.1177.500000112.3A170 P171A170-G192 PolarHBondContact O-N 3.04Å; P171-G192 WeakPolarHBondContact CA-O 3.26Å
193P89.6Confident95.3Very high79 Ų7935.8 Ų35.851%0.51323%0.231SC..  trans-66150.1177.928.9-34000110.8G195 G196P193-G195 PolarHBondContact O-N 3.18Å; P193-G196 PolarHBondContact O-N 3.35Å; P193-G196 VanDerWaalsContact O-N 3.07Å
194E85Confident95.3Very high97 Ų9732.4 Ų32.445%0.45321%0.214SC..THydrogen-bonded Turntrans-61.3131172.6-175.4171.2169.900110.7G196 P223 R229E194-G196 PolarHBondContact O-N 3.01Å; E194-P223 HydrophobicContact CG-CB 4.39Å; E194-P223 HydrophobicContact CG-CG 3.73Å; E194-R229 IonicContact OE1-CZ 2.65Å; E194-R229 IonicContact OE1-NH2 2.81Å; E194-R229 PolarHBondContact OE1-NH2 2.65Å; E194-R229 VanDerWaalsContact OE1-NH2 3.15Å; E194-R229 IonicContact OE2-CZ 2.71Å; E194-R229 IonicContact OE2-NH1 2.66Å; E194-R229 PolarHBondContact OE2-NH1 3.18Å; E194-R229 IonicContact OE2-NH2 3.2Å; E194-R229 PolarHBondContact OE2-NH2 3.03Å
195G80.5Confident95.3Very high85 Ų8533.3 Ų33.388%0.87620%0.203SC*.THydrogen-bonded Turntrans72.6-0.1-174.900000115.4P193P193-G195 PolarHBondContact O-N 3.18Å
196G87.7Confident95.3Very high35 Ų3536.1 Ų36.136%0.36122%0.217SC..SBendtrans-109-170.5176.300000113.7P193 E194 Q198P193-G196 PolarHBondContact O-N 3.35Å; P193-G196 VanDerWaalsContact O-N 3.07Å; E194-G196 PolarHBondContact O-N 3.01Å; G196-Q198 PolarHBondContact O-N 3.38Å
197N92Very high95.2Very high159 Ų15943.1 Ų43.185%0.8525%0.252SS*.  trans-70.1125.6178.2-67.3-24.3000110.1
198Q95.5Very high95.2Very high18 Ų1849.2 Ų49.28%0.08428%0.284CS..EExtended strand (participates in β ladder)trans-110.8147.4175.2-56.5164-1.600109.6A169 E191 G196 G218 V219 Y221A169-Q198 HydrophobicContact CB-CG 4.06Å; A169-Q198 VanDerWaalsContact CB-NE2 3.3Å; E191-Q198 WeakPolarHBondContact O-CA 3.14Å; G196-Q198 PolarHBondContact O-N 3.38Å; Q198-G218 WeakPolarHBondContact O-CA 3.43Å; Q198-V219 HydrophobicContact CB-CG2 4.12Å; Q198-V219 WeakPolarHBondContact CB-O 3.19Å; Q198-V219 PolarHBondContact O-N 3.47Å; Q198-Y221 PolarHBondContact NE2-O 2.95Å; Q198-Y221 PolarHBondContact OE1-O 3.37Å
199A96.6Very high95.1Very high23 Ų2350.4 Ų50.419%0.1930%0.296CS..EExtended strand (participates in β ladder)trans-122.4140.9171.900000110P190 E191 V201 M217P190-A199 CarbonylContact C-O 3.56Å; P190-A199 WeakPolarHBondContact CA-O 3.49Å; E191-A199 PolarHBondContact N-O 3.32Å; E191-A199 PolarHBondContact O-N 3.29Å; A199-V201 PolarHBondContact O-N 3.3Å; A199-M217 CarbonylContact C-O 3.56Å; A199-M217 VanDerWaalsContact CA-O 3.27Å; A199-M217 WeakPolarHBondContact CA-O 3.31Å
200L97.5Very high95Very high4 Ų452.7 Ų52.72%0.02131%0.313CS..EExtended strand (participates in β ladder)trans-70.8118.5166.5-165.468.3000108I188 P190 L216 M217 V219I188-L200 HydrophobicContact CG2-CD1 3.59Å; I188-L200 HydrophobicContact CG2-CD2 4Å; I188-L200 HydrophobicContact CG2-CG 3.77Å; P190-L200 HydrophobicContact CG-CD1 3.97Å; L200-L216 HydrophobicContact CB-CB 4.43Å; L200-L216 HydrophobicContact CD2-CD1 4.19Å; L200-L216 HydrophobicContact CG-CD1 4.38Å; L200-L216 WeakPolarHBondContact O-CB 3.34Å; L200-L216 PolarHBondContact O-N 3.2Å; L200-M217 HydrophobicContact CB-CG 4.18Å; L200-M217 HydrophobicContact CD2-CE 3.96Å; L200-M217 PolarHBondContact N-O 2.84Å; L200-V219 HydrophobicContact CB-CG1 3.82Å; L200-V219 HydrophobicContact CB-CG2 4.3Å
201V98.3Very high95Very high0 Ų056.9 Ų56.90%033%0.331CS..EExtended strand (participates in β ladder)trans-109.4136.9-177.1178.60000109.3I173 I188 C189 E191 A199 I203 R213I173-V201 HydrophobicContact CD1-CB 4.34Å; I173-V201 HydrophobicContact CD1-CG1 4.19Å; I188-V201 CarbonylContact C-O 3.53Å; I188-V201 WeakPolarHBondContact CA-O 3.43Å; C189-V201 PolarHBondContact N-O 2.97Å; C189-V201 WeakPolarHBondContact O-CB 3.27Å; C189-V201 PolarHBondContact O-N 2.83Å; E191-V201 HydrophobicContact CB-CB 4.49Å; E191-V201 HydrophobicContact CB-CG2 3.75Å; A199-V201 PolarHBondContact O-N 3.3Å; V201-I203 HydrophobicContact CG1-CG1 4.04Å; V201-R213 HydrophobicContact CG1-CG 3.56Å; V201-R213 VanDerWaalsContact CG2-NH2 3.3Å
202Q98.6Very high95.1Very high21 Ų2160.3 Ų60.310%0.09835%0.347CS..EExtended strand (participates in β ladder)trans-101.5133.7166.6-178.6-179.9-53.900109.6R186 L187 I188 D204 R213 K214 L216R186-Q202 HydrophobicContact CG-CG 3.99Å; R186-Q202 VanDerWaalsContact CZ-NE2 3.29Å; R186-Q202 VanDerWaalsContact NE-CD 3.34Å; L187-Q202 CarbonylContact O-C 3.56Å; L187-Q202 WeakPolarHBondContact O-CA 3.49Å; I188-Q202 HydrophobicContact CD1-CB 3.61Å; I188-Q202 HydrophobicContact CD1-CG 3.77Å; Q202-D204 PolarHBondContact NE2-OD2 3.46Å; Q202-R213 CarbonylContact O-C 3.57Å; Q202-R213 WeakPolarHBondContact O-CA 3.33Å; Q202-K214 HydrophobicContact CB-CB 4.38Å; Q202-K214 PolarHBondContact N-O 2.96Å; Q202-K214 PolarHBondContact O-N 3.05Å; Q202-L216 HydrophobicContact CB-CD1 4.06Å; Q202-L216 HydrophobicContact CB-CD2 4.15Å; Q202-L216 HydrophobicContact CB-CG 4.12Å
203I98.7Very high95.2Very high6 Ų666.3 Ų66.33%0.03137%0.367CS..EExtended strand (participates in β ladder)trans-124.9123.5170.1-61.1-175.3000108.2I173 R186 L187 V201 F211 Q212 R213I173-I203 HydrophobicContact CD1-CD1 3.48Å; I173-I203 VanDerWaalsContact CD1-CD1 3.48Å; I173-I203 HydrophobicContact CD1-CG1 4.27Å; I173-I203 HydrophobicContact CG2-CD1 4.41Å; R186-I203 CarbonylContact C-O 3.56Å; R186-I203 WeakPolarHBondContact CA-O 3.45Å; L187-I203 HydrophobicContact CB-CB 4.35Å; L187-I203 HydrophobicContact CD2-CB 4.49Å; L187-I203 PolarHBondContact N-O 3.08Å; L187-I203 PolarHBondContact O-N 3.27Å; V201-I203 HydrophobicContact CG1-CG1 4.04Å; I203-F211 HydrophobicContact CG2-CB 3.98Å; I203-F211 HydrophobicContact CG2-CD1 3.76Å; I203-F211 HydrophobicContact CG2-CG 4.27Å; I203-Q212 CarbonylContact C-O 3.56Å; I203-Q212 VanDerWaalsContact CA-O 3.28Å; I203-Q212 WeakPolarHBondContact CA-O 3.41Å; I203-R213 HydrophobicContact CG1-CG 4.26Å
204D98.8Very high95.6Very high18 Ų1868.4 Ų68.410%0.09637%0.368CS..EExtended strand (participates in β ladder)trans-107.9134.1171.9-59.1-85000108.9G185 R186 Q202 F211 Q212G185-D204 WeakPolarHBondContact O-CA 3.24Å; R186-D204 IonicContact CZ-OD1 3.27Å; R186-D204 VanDerWaalsContact CZ-OD1 3.27Å; R186-D204 IonicContact NE-OD1 2.88Å; R186-D204 PolarHBondContact NE-OD1 2.98Å; R186-D204 IonicContact NE-OD2 3.25Å; R186-D204 IonicContact NH2-OD1 2.89Å; R186-D204 PolarHBondContact NH2-OD1 3.06Å; R186-D204 IonicContact NH2-OD2 3.81Å; Q202-D204 PolarHBondContact NE2-OD2 3.46Å; D204-F211 WeakPolarHBondContact O-CA 3.24Å; D204-Q212 PolarHBondContact N-O 3.06Å; D204-Q212 PolarHBondContact O-N 3.5Å
205R98.7Very high96.2Very high64 Ų6467 Ų6724%0.24237%0.369CS..EExtended strand (participates in β ladder)trans-87.8116.3172.4-168.2178-175.61750.9109.1E179 L181 K182 I183 G184 G185 F211E179-R205 PolarHBondContact O-NH1 3.22Å; L181-R205 HydrophobicContact CD2-CB 4.09Å; L181-R205 HydrophobicContact CG-CB 4.47Å; L181-R205 WeakPolarHBondContact O-CD 3.22Å; L181-R205 PolarHBondContact O-NH1 3.07Å; K182-R205 WeakPolarHBondContact O-CB 3.45Å; I183-R205 HydrophobicContact CD1-CG 4.04Å; G184-R205 VanDerWaalsContact CA-O 3.29Å; G184-R205 WeakPolarHBondContact CA-O 3.2Å; G184-R205 PolarHBondContact N-O 2.85Å; G185-R205 PolarHBondContact O-N 3.35Å; R205-F211 HydrophobicContact CB-CD1 4.03Å; R205-F211 HydrophobicContact CB-CE1 3.85Å; R205-F211 HydrophobicContact CG-CD1 4.08Å; R205-F211 HydrophobicContact CG-CE1 3.64Å; R205-F211 HydrophobicContact CG-CZ 4.16Å
206L98.6Very high96.9Very high61 Ų6165.8 Ų65.832%0.31934%0.342SS..  trans-80168.5-175.1-58.4-172.5000112.2I183 D208 G209 S210 Q212I183-L206 WeakPolarHBondContact CD1-O 3.47Å; L206-D208 WeakPolarHBondContact CB-OD1 3.36Å; L206-D208 PolarHBondContact O-N 3.15Å; L206-G209 PolarHBondContact O-N 3.15Å; L206-S210 PolarHBondContact N-O 3.24Å; L206-Q212 HydrophobicContact CD1-CB 4.14Å; L206-Q212 HydrophobicContact CD2-CB 4.04Å; L206-Q212 HydrophobicContact CG-CB 4.14Å
207Q97.9Very high97.3Very high187 Ų18766.7 Ų66.787%0.87434%0.337SS*.THydrogen-bonded Turntrans-60.6-30.7-178.5-72.9-169.7-1700113.9G209Q207-G209 PolarHBondContact O-N 3.41Å
208D97.6Very high97.4Very high128 Ų12862.1 Ų62.168%0.68433%0.328SS*.THydrogen-bonded Turntrans-80.31.617666.8-4.3000113.3L206 S210L206-D208 WeakPolarHBondContact CB-OD1 3.36Å; L206-D208 PolarHBondContact O-N 3.15Å; D208-S210 VanDerWaalsContact C-N 3.3Å; D208-S210 PolarHBondContact O-N 2.88Å; D208-S210 VanDerWaalsContact OD1-CB 3.22Å; D208-S210 WeakPolarHBondContact OD1-CB 3.47Å; D208-S210 PolarHBondContact OD1-N 3.07Å; D208-S210 PolarHBondContact OD1-OG 2.91Å; D208-S210 PolarHBondContact OD2-OG 2.95Å
209G96.4Very high97.3Very high25 Ų2562 Ų6226%0.25833%0.329SS..SBendtrans84.4-4.1-177.900000114.7L206 Q207L206-G209 PolarHBondContact O-N 3.15Å; Q207-G209 PolarHBondContact O-N 3.41Å
210S97.9Very high97Very high49 Ų4968.6 Ų68.634%0.34336%0.359SS..  trans-74.5169.1174.773.90000112.1L206 D208L206-S210 PolarHBondContact N-O 3.24Å; D208-S210 VanDerWaalsContact C-N 3.3Å; D208-S210 PolarHBondContact O-N 2.88Å; D208-S210 VanDerWaalsContact OD1-CB 3.22Å; D208-S210 WeakPolarHBondContact OD1-CB 3.47Å; D208-S210 PolarHBondContact OD1-N 3.07Å; D208-S210 PolarHBondContact OD1-OG 2.91Å; D208-S210 PolarHBondContact OD2-OG 2.95Å
211F98.1Very high96.9Very high87 Ų8769.4 Ų69.438%0.38236%0.362SS..EExtended strand (participates in β ladder)trans-117.1122.6-178.4-64-80.5000110.9K178 I203 D204 R205K178-F211 HydrophobicContact CB-CE1 3.83Å; K178-F211 HydrophobicContact CB-CE2 4.4Å; K178-F211 HydrophobicContact CB-CZ 3.75Å; K178-F211 HydrophobicContact CG-CE1 4.46Å; I203-F211 HydrophobicContact CG2-CB 3.98Å; I203-F211 HydrophobicContact CG2-CD1 3.76Å; I203-F211 HydrophobicContact CG2-CG 4.27Å; D204-F211 WeakPolarHBondContact O-CA 3.24Å; R205-F211 HydrophobicContact CB-CD1 4.03Å; R205-F211 HydrophobicContact CB-CE1 3.85Å; R205-F211 HydrophobicContact CG-CD1 4.08Å; R205-F211 HydrophobicContact CG-CE1 3.64Å; R205-F211 HydrophobicContact CG-CZ 4.16Å
212Q98.3Very high96.6Very high112 Ų11271.7 Ų71.752%0.52338%0.376SS..EExtended strand (participates in β ladder)trans-93.7129.3170.8-178.6173.482.300109.6I203 D204 L206I203-Q212 CarbonylContact C-O 3.56Å; I203-Q212 VanDerWaalsContact CA-O 3.28Å; I203-Q212 WeakPolarHBondContact CA-O 3.41Å; D204-Q212 PolarHBondContact N-O 3.06Å; D204-Q212 PolarHBondContact O-N 3.5Å; L206-Q212 HydrophobicContact CD1-CB 4.14Å; L206-Q212 HydrophobicContact CD2-CB 4.04Å; L206-Q212 HydrophobicContact CG-CB 4.14Å
213R97.7Very high96.4Very high135 Ų13572.5 Ų72.551%0.50938%0.383SS..EExtended strand (participates in β ladder)trans-112.9137.7-178.7-174178.4176.7-77.32.5111.2E191 V201 Q202 I203E191-R213 IonicContact OE2-CZ 2.72Å; E191-R213 IonicContact OE2-NE 3.92Å; E191-R213 PolarHBondContact OE2-NE 3.24Å; E191-R213 IonicContact OE2-NH2 2.84Å; E191-R213 PolarHBondContact OE2-NH2 2.94Å; V201-R213 HydrophobicContact CG1-CG 3.56Å; V201-R213 VanDerWaalsContact CG2-NH2 3.3Å; Q202-R213 CarbonylContact O-C 3.57Å; Q202-R213 WeakPolarHBondContact O-CA 3.33Å; I203-R213 HydrophobicContact CG1-CG 4.26Å
214K97.8Very high96.2Very high123 Ų12373.4 Ų73.454%0.53539%0.388SS..EExtended strand (participates in β ladder)trans-136.8130.6174.4-176.7-179.6179.5-1780110.5Q202 L216Q202-K214 HydrophobicContact CB-CB 4.38Å; Q202-K214 PolarHBondContact N-O 2.96Å; Q202-K214 PolarHBondContact O-N 3.05Å; K214-L216 HydrophobicContact CD-CD2 4Å; K214-L216 HydrophobicContact CG-CD2 4.13Å
215S97.2Very high96Very high67 Ų6773.1 Ų73.147%0.46939%0.387SS..EExtended strand (participates in β ladder)trans-82.4132.5168.1-173.60000109.4
216L96.3Very high95.7Very high60 Ų6072.5 Ų72.531%0.31439%0.388SS..EExtended strand (participates in β ladder)trans-100.1-55.6-175.9-58.9-177.8000111.9A71 I188 L200 Q202 K214A71-L216 HydrophobicContact CB-CD1 4.46Å; I188-L216 HydrophobicContact CD1-CD1 3.8Å; L200-L216 HydrophobicContact CB-CB 4.43Å; L200-L216 HydrophobicContact CD2-CD1 4.19Å; L200-L216 HydrophobicContact CG-CD1 4.38Å; L200-L216 WeakPolarHBondContact O-CB 3.34Å; L200-L216 PolarHBondContact O-N 3.2Å; Q202-L216 HydrophobicContact CB-CD1 4.06Å; Q202-L216 HydrophobicContact CB-CD2 4.15Å; Q202-L216 HydrophobicContact CB-CG 4.12Å; K214-L216 HydrophobicContact CD-CD2 4Å; K214-L216 HydrophobicContact CG-CD2 4.13Å
217M94.4Very high95.3Very high53 Ų5371.2 Ų71.226%0.26138%0.38SS..EExtended strand (participates in β ladder)trans-163.8162.7-177.267.2-165.5-164.700111.7M64 Y67 A199 L200 V219M64-M217 HydrophobicContact CE-CE 3.48Å; M64-M217 VanDerWaalsContact CE-CE 3.48Å; M64-M217 HydrophobicContact SD-CE 3.66Å; Y67-M217 HydrophobicContact CD2-CE 3.44Å; Y67-M217 VanDerWaalsContact CD2-CE 3.44Å; Y67-M217 HydrophobicContact CD2-SD 4.1Å; Y67-M217 HydrophobicContact CE2-CE 3.91Å; Y67-M217 HydrophobicContact CE2-SD 4.12Å; Y67-M217 HydrophobicContact CG-CE 3.87Å; Y67-M217 HydrophobicContact CG-SD 4.31Å; A199-M217 CarbonylContact C-O 3.56Å; A199-M217 VanDerWaalsContact CA-O 3.27Å; A199-M217 WeakPolarHBondContact CA-O 3.31Å; L200-M217 HydrophobicContact CB-CG 4.18Å; L200-M217 HydrophobicContact CD2-CE 3.96Å; L200-M217 PolarHBondContact N-O 2.84Å; M217-V219 HydrophobicContact CE-CG1 3.7Å; M217-V219 HydrophobicContact CG-CG1 4.03Å
218G94.1Very high95Very high64 Ų6467.2 Ų67.266%0.6637%0.365SS*.EExtended strand (participates in β ladder)trans-70.2142.4169.600000111.8Q198Q198-G218 WeakPolarHBondContact O-CA 3.43Å
219V94Very high94.6Very high15 Ų1568.3 Ų68.39%0.09136%0.359CS..EExtended strand (participates in β ladder)trans-144.7168.1-179-66.20000111.2M64 P190 Q198 L200 M217 Y221M64-V219 HydrophobicContact CE-CG1 3.69Å; M64-V219 HydrophobicContact SD-CG1 4.36Å; P190-V219 HydrophobicContact CB-CG2 3.86Å; Q198-V219 HydrophobicContact CB-CG2 4.12Å; Q198-V219 WeakPolarHBondContact CB-O 3.19Å; Q198-V219 PolarHBondContact O-N 3.47Å; L200-V219 HydrophobicContact CB-CG1 3.82Å; L200-V219 HydrophobicContact CB-CG2 4.3Å; M217-V219 HydrophobicContact CE-CG1 3.7Å; M217-V219 HydrophobicContact CG-CG1 4.03Å; V219-Y221 HydrophobicContact CB-CD2 3.83Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG2-CD2 3.77Å; V219-Y221 HydrophobicContact CG2-CE2 3.93Å
220I91.3Very high94.4Very high161 Ų16168.9 Ų68.983%0.82636%0.355SS*.  trans-135111.8172.5-57175.2000107.4
221Y93.5Very high94Very high21 Ų2169.4 Ų69.48%0.08236%0.356CS..  trans-123.6156.5178.4-82.5-107.3000110.4M64 G167 P190 Q198 V219M64-Y221 HydrophobicContact CE-CE2 3.63Å; M64-Y221 WeakPolarHBondContact CE-OH 3.3Å; G167-Y221 WeakPolarHBondContact O-CD1 3.5Å; P190-Y221 HydrophobicContact CB-CD2 3.68Å; P190-Y221 HydrophobicContact CB-CE2 4.11Å; P190-Y221 HydrophobicContact CB-CG 3.91Å; P190-Y221 HydrophobicContact CG-CD1 3.69Å; P190-Y221 HydrophobicContact CG-CD2 3.39Å; P190-Y221 HydrophobicContact CG-CE1 3.74Å; P190-Y221 HydrophobicContact CG-CE2 3.46Å; P190-Y221 VanDerWaalsContact CG-CE2 3.46Å; P190-Y221 HydrophobicContact CG-CG 3.5Å; P190-Y221 VanDerWaalsContact CG-CG 3.5Å; Q198-Y221 PolarHBondContact NE2-O 2.95Å; Q198-Y221 PolarHBondContact OE1-O 3.37Å; V219-Y221 HydrophobicContact CB-CD2 3.83Å; V219-Y221 HydrophobicContact CB-CE2 3.77Å; V219-Y221 HydrophobicContact CG1-CE2 4.14Å; V219-Y221 HydrophobicContact CG2-CD2 3.77Å; V219-Y221 HydrophobicContact CG2-CE2 3.93Å
222V92.5Very high93.2Very high49 Ų4966.5 Ų66.530%0.29735%0.35SS..  trans-63.1151165.3-62.50000110.1A168 A169A168-V222 CarbonylContact C-O 3.42Å; A168-V222 WeakPolarHBondContact CA-O 3.32Å; A168-V222 HydrophobicContact CB-CG2 4.43Å; A169-V222 PolarHBondContact N-O 2.97Å
223P94.1Very high91.7Very high37 Ų3766.1 Ų66.124%0.2436%0.358CS..BIsolated β-bridgetrans-67.2142.5-177.3-19.633.8000112.6E194 T225E194-P223 HydrophobicContact CG-CB 4.39Å; E194-P223 HydrophobicContact CG-CG 3.73Å; P223-T225 PolarHBondContact O-N 2.88Å; P223-T225 VanDerWaalsContact O-N 3.15Å
224L95.9Very high89.8Confident26 Ų2666.9 Ų66.914%0.13636%0.361CS..  trans-74.399.6165.3-177.668.3000107.7V85 R152 V166 A168 A169 A170 P174V85-L224 HydrophobicContact CG1-CD1 3.94Å; R152-L224 HydrophobicContact CG-CD1 4.32Å; R152-L224 HydrophobicContact CG-CD2 3.96Å; R152-L224 HydrophobicContact CG-CG 3.87Å; V166-L224 HydrophobicContact CG1-CD1 4.27Å; V166-L224 HydrophobicContact CG1-CD2 4.24Å; A168-L224 HydrophobicContact CB-CB 3.88Å; A168-L224 HydrophobicContact CB-CD1 4.09Å; A169-L224 WeakPolarHBondContact O-CB 3.43Å; A169-L224 PolarHBondContact O-N 3.27Å; A170-L224 HydrophobicContact CB-CB 4.29Å; A170-L224 HydrophobicContact CB-CD2 3.85Å; P174-L224 HydrophobicContact CG-CD2 3.89Å
225T93.6Very high87.6Confident12 Ų1269.5 Ų69.57%0.07437%0.372CS..  trans-136.1176.2-166.3-163.80000112.3H111 P223 R229 Q230H111-T225 PolarHBondContact CE1-O 3.08Å; H111-T225 PolarHBondContact ND1-O 2.87Å; P223-T225 PolarHBondContact O-N 2.88Å; P223-T225 VanDerWaalsContact O-N 3.15Å; T225-R229 WeakPolarHBondContact OG1-CD 3.22Å; T225-Q230 HydrophobicContact CG2-CB 3.86Å
226D93.2Very high85Confident51 Ų5178.1 Ų78.127%0.27339%0.394SS..  trans-84.4157.4171.963.392.7000111.4D228 R229 Q230D226-D228 VanDerWaalsContact C-N 3.35Å; D226-D228 PolarHBondContact O-N 3.41Å; D226-D228 PolarHBondContact OD1-N 2.89Å; D226-R229 PolarHBondContact O-N 3.15Å; D226-R229 WeakPolarHBondContact OD1-CB 3.4Å; D226-R229 PolarHBondContact OD1-N 2.65Å; D226-R229 WeakPolarHBondContact OD2-CB 3.5Å; D226-Q230 PolarHBondContact O-N 3.18Å; D226-Q230 VanDerWaalsContact O-N 3.14Å
227K90.1Very high82.4Confident34 Ų3487.1 Ų87.115%0.14843%0.434CS..Hα-helixtrans-56.4-45.5-177.8176.4167.3-161.2170.30112.5I112 D113 E114 R229 Q230 V231I112-K227 HydrophobicContact CD1-CB 4.09Å; I112-K227 HydrophobicContact CD1-CD 4.02Å; I112-K227 HydrophobicContact CD1-CG 3.56Å; D113-K227 IonicContact OD1-NZ 3.47Å; D113-K227 PolarHBondContact OD1-NZ 3.01Å; D113-K227 IonicContact OD2-NZ 2.8Å; E114-K227 IonicContact OE2-NZ 3.57Å; K227-R229 VanDerWaalsContact C-N 3.34Å; K227-R229 PolarHBondContact O-N 2.81Å; K227-Q230 PolarHBondContact O-N 3.14Å; K227-V231 HydrophobicContact CG-CG2 4.13Å; K227-V231 VanDerWaalsContact O-CG2 3.28Å; K227-V231 WeakPolarHBondContact O-CG2 3.39Å; K227-V231 PolarHBondContact O-N 3.29Å
228D90.4Very high81.8Confident103 Ų10388.8 Ų88.855%0.55144%0.443SS*.Hα-helixtrans-67-36.7-174.9-69.3-27.5000111.8D226 G232D226-D228 VanDerWaalsContact C-N 3.35Å; D226-D228 PolarHBondContact O-N 3.41Å; D226-D228 PolarHBondContact OD1-N 2.89Å; D228-G232 CarbonylContact O-C 3.34Å; D228-G232 WeakPolarHBondContact O-CA 3.05Å; D228-G232 PolarHBondContact O-N 2.94Å
229R89.5Confident81.1Confident151 Ų15190.1 Ų90.157%0.5743%0.432SS*.Hα-helixtrans-68.8-34.7173.7-171.3166.7-175.2-135.2-8.2112.9E194 T225 D226 K227E194-R229 IonicContact OE1-CZ 2.65Å; E194-R229 IonicContact OE1-NH2 2.81Å; E194-R229 PolarHBondContact OE1-NH2 2.65Å; E194-R229 VanDerWaalsContact OE1-NH2 3.15Å; E194-R229 IonicContact OE2-CZ 2.71Å; E194-R229 IonicContact OE2-NH1 2.66Å; E194-R229 PolarHBondContact OE2-NH1 3.18Å; E194-R229 IonicContact OE2-NH2 3.2Å; E194-R229 PolarHBondContact OE2-NH2 3.03Å; T225-R229 WeakPolarHBondContact OG1-CD 3.22Å; D226-R229 PolarHBondContact O-N 3.15Å; D226-R229 WeakPolarHBondContact OD1-CB 3.4Å; D226-R229 PolarHBondContact OD1-N 2.65Å; D226-R229 WeakPolarHBondContact OD2-CB 3.5Å; K227-R229 VanDerWaalsContact C-N 3.34Å; K227-R229 PolarHBondContact O-N 2.81Å
230Q91.8Very high80.4Confident37 Ų3794.3 Ų94.317%0.17345%0.45CS..Hα-helixtrans-75.4-46.5-178.1-174.8167.7-51.900113.7Y55 A56 H111 T225 D226 K227Y55-Q230 WeakPolarHBondContact O-CG 3.28Å; Y55-Q230 PolarHBondContact O-NE2 3.44Å; A56-Q230 HydrophobicContact CB-CG 4.02Å; H111-Q230 PolarHBondContact CE1-OE1 2.87Å; H111-Q230 VanDerWaalsContact NE2-CD 3.34Å; H111-Q230 PolarHBondContact NE2-NE2 3.36Å; H111-Q230 PolarHBondContact NE2-OE1 3.38Å; T225-Q230 HydrophobicContact CG2-CB 3.86Å; D226-Q230 PolarHBondContact O-N 3.18Å; D226-Q230 VanDerWaalsContact O-N 3.14Å; K227-Q230 PolarHBondContact O-N 3.14Å
231V89.9Confident79.7Confident59 Ų5990.4 Ų90.436%0.35843%0.428SS..Hα-helixtrans-111.5-1-173.5-61.80000114Y55 I112 K227Y55-V231 HydrophobicContact CD1-CG1 4.11Å; Y55-V231 HydrophobicContact CG-CG1 4.43Å; I112-V231 HydrophobicContact CD1-CG1 4.17Å; I112-V231 HydrophobicContact CD1-CG2 4.4Å; K227-V231 HydrophobicContact CG-CG2 4.13Å; K227-V231 VanDerWaalsContact O-CG2 3.28Å; K227-V231 WeakPolarHBondContact O-CG2 3.39Å; K227-V231 PolarHBondContact O-N 3.29Å
232G81.4Confident78.9Confident26 Ų2694.7 Ų94.727%0.26845%0.45SS..  trans77.9169.3-17000000112.1D228 R234D228-G232 CarbonylContact O-C 3.34Å; D228-G232 WeakPolarHBondContact O-CA 3.05Å; D228-G232 PolarHBondContact O-N 2.94Å; G232-R234 PolarHBondContact O-N 2.92Å
233P67.3Low78Confident105 Ų10597.7 Ų97.768%0.68246%0.46SS*.SBendtrans-60.4135.6173.725.7-32.7000109.2K235P233-K235 PolarHBondContact O-N 3.39Å
234R58.7Low76.8Confident151 Ų151102.1 Ų102.157%0.5748%0.476SS*.  trans-54112.9168.9-66.4-169.2-149.3-160.73.4107.1D113 G232 W236D113-R234 IonicContact OD2-NH2 3.07Å; G232-R234 PolarHBondContact O-N 2.92Å; R234-W236 PolarHBondContact O-N 3.02Å
235K49.9Very low75.4Confident178 Ų178107.9 Ų107.977%0.77450%0.502SS*.  trans-67.5106.8166.5-69.8-168.5179.1-176.10105.8P233 H237P233-K235 PolarHBondContact O-N 3.39Å; K235-H237 PolarHBondContact O-N 3.12Å; K235-H237 VanDerWaalsContact O-N 3.12Å
236W43Very low73.8Confident247 Ų247115.9 Ų115.994%0.93654%0.538SS*.  trans-53.7116.2168.7-63.485.5000107.6R234R234-W236 PolarHBondContact O-N 3.02Å
237H41Very low72.1Confident249 Ų249121.8 Ų121.8100%1.15356%0.562SS**  trans-109.20162.9-74-58.2000107.7K235K235-H237 PolarHBondContact O-N 3.12Å; K235-H237 VanDerWaalsContact O-N 3.12Å

Retrieved 237 of 237 residues in 116.1 ms (Link to these results)

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