A0A087YFC9_POEFO Loading...

Pyruvate kinase

AlphaFold DB , UniProt , Accession A0A087YFC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 530 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
1M36.8Very low41.7Very low240 Ų240145.4 Ų145.4100%1.18283%0.825SS**  0135.50-94.5174.7170.500107.7
2P34.5Very low43Very low125 Ų125139.3 Ų139.381%0.81279%0.787SS**PPolyproline II helixtrans-70.7136.7-179.1103.5000109.7
3L37.2Very low45.3Very low166 Ų166135.4 Ų135.487%0.86976%0.758SS**PPolyproline II helixtrans-52.7136170.1-78.5148.6000109.7
4P46.3Very low48.4Very low121 Ų121130.6 Ų130.679%0.78673%0.734SS**PPolyproline II helixtrans-65.9142174.71.59.9000110.5
5K41.9Very low51.3Low200 Ų200124.3 Ų124.387%0.8770%0.696SS**PPolyproline II helixtrans-48.1131.9177.3-73.9168167.8177.10113.4M7K5-M7 PolarHBondContact O-N 2.84Å
6D43.4Very low54.1Low166 Ų166117.4 Ų117.489%0.88866%0.657SS**  trans29.973.2137.7-123.3-3.2000116.1
7M39.9Very low56.4Low152 Ų152112.6 Ų112.675%0.74963%0.629SS**  trans-100.3126.2146.5-69.5-144.6-70.100105.9K5K5-M7 PolarHBondContact O-N 2.84Å
8G37.1Very low58.5Low56 Ų56111.2 Ų111.258%0.57762%0.62SS**  trans-45.3156.2-168.100000114.6A10G8-A10 PolarHBondContact O-N 3.49Å
9S41.8Very low60.4Low143 Ų143105.4 Ų105.4100%159%0.588SS**THydrogen-bonded Turntrans-56.925.8-171.260.30000118
10A49.7Very low62.1Low85 Ų85100.9 Ų100.970%0.70256%0.564SS**THydrogen-bonded Turntrans-138.822.2-176.100000113.8G8 I12G8-A10 PolarHBondContact O-N 3.49Å; A10-I12 PolarHBondContact O-N 3Å
11F49.6Very low63.5Low145 Ų145102.8 Ų102.864%0.63657%0.571SS**  trans-79.199.6168.9-177-101.7000110.1Q13F11-Q13 HydrophobicContact CD1-CG 4.32Å; F11-Q13 HydrophobicContact CE1-CG 4.1Å; F11-Q13 PolarHBondContact O-N 2.73Å
12I57.5Low66.3Low72 Ų7291.7 Ų91.737%0.36952%0.517SS..PPolyproline II helixtrans-77.1119.6172-57.2179.2000107.8A10 T14 D35A10-I12 PolarHBondContact O-N 3Å; I12-T14 PolarHBondContact O-N 2.88Å; I12-D35 HydrophobicContact CD1-CB 3.58Å
13Q73Confident69.3Low89 Ų8991.8 Ų91.842%0.41651%0.511SS..PPolyproline II helixtrans-67.4130174.1-65.2-177.8-28.300109.1F11 L17 S36F11-Q13 HydrophobicContact CD1-CG 4.32Å; F11-Q13 HydrophobicContact CE1-CG 4.1Å; F11-Q13 PolarHBondContact O-N 2.73Å; Q13-L17 HydrophobicContact CB-CB 4.05Å; Q13-S36 WeakPolarHBondContact O-CB 3.31Å; Q13-S36 PolarHBondContact O-OG 3.04Å
14T89.1Confident72.1Confident68 Ų6887.5 Ų87.542%0.41749%0.492SS..SBendtrans-74.3170.2179.257.70000111.9I12 Q16 L17 S36 E37I12-T14 PolarHBondContact O-N 2.88Å; T14-Q16 PolarHBondContact O-N 3.16Å; T14-Q16 VanDerWaalsContact O-N 3.16Å; T14-L17 WeakPolarHBondContact O-CB 3.15Å; T14-L17 WeakPolarHBondContact O-CD1 3.48Å; T14-L17 VanDerWaalsContact O-CG 3.24Å; T14-L17 WeakPolarHBondContact O-CG 3.5Å; T14-L17 PolarHBondContact O-N 3.09Å; T14-L17 VanDerWaalsContact O-N 3.1Å; T14-S36 VanDerWaalsContact C-OG 3.31Å; T14-S36 WeakPolarHBondContact CA-OG 3.36Å; T14-E37 WeakPolarHBondContact CB-O 3.32Å
15Q91Very high74.6Confident37 Ų3786.9 Ų86.917%0.17348%0.477CS..THydrogen-bonded Turntrans55.131175.8-48.3-178.3-76.300115L17 S36 E37 T39Q15-L17 PolarHBondContact O-N 3.08Å; Q15-L17 VanDerWaalsContact O-N 3.12Å; Q15-S36 PolarHBondContact N-OG 3.14Å; Q15-E37 PolarHBondContact N-O 3.33Å; Q15-T39 VanDerWaalsContact CD-CG2 3.42Å; Q15-T39 HydrophobicContact CG-CG2 3.95Å; Q15-T39 PolarHBondContact NE2-OG1 3.3Å
16Q96.5Very high77.3Confident14 Ų1483.2 Ų83.27%0.06547%0.466CS..THydrogen-bonded Turntrans54.931.5-177.2-49.2-61.6-28.500112.4T14 N18 A19 A20 L32 D33 S36 A386T14-Q16 PolarHBondContact O-N 3.16Å; T14-Q16 VanDerWaalsContact O-N 3.16Å; Q16-N18 VanDerWaalsContact C-N 3.26Å; Q16-N18 PolarHBondContact O-N 2.83Å; Q16-A19 HydrophobicContact CB-CB 4.27Å; Q16-A19 PolarHBondContact O-N 2.74Å; Q16-A19 VanDerWaalsContact O-N 3.16Å; Q16-A20 WeakPolarHBondContact O-CB 3.29Å; Q16-A20 PolarHBondContact O-N 2.88Å; Q16-L32 HydrophobicContact CB-CD2 4.46Å; Q16-L32 HydrophobicContact CG-CD2 4.3Å; Q16-D33 PolarHBondContact NE2-O 3.29Å; Q16-D33 PolarHBondContact OE1-O 3.22Å; Q16-S36 PolarHBondContact N-OG 3.23Å; Q16-S36 PolarHBondContact NE2-O 2.67Å; Q16-A386 HydrophobicContact CG-CB 3.96Å
17L93.2Very high79.9Confident36 Ų3679.6 Ų79.619%0.18844%0.444CS..Hα-helixtrans-60.2-34.9-174.8-86.2167.3000112.8Q13 T14 Q15 A20 M21 L423Q13-L17 HydrophobicContact CB-CB 4.05Å; T14-L17 WeakPolarHBondContact O-CB 3.15Å; T14-L17 WeakPolarHBondContact O-CD1 3.48Å; T14-L17 VanDerWaalsContact O-CG 3.24Å; T14-L17 WeakPolarHBondContact O-CG 3.5Å; T14-L17 PolarHBondContact O-N 3.09Å; T14-L17 VanDerWaalsContact O-N 3.1Å; Q15-L17 PolarHBondContact O-N 3.08Å; Q15-L17 VanDerWaalsContact O-N 3.12Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.26Å; L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 3.07Å; L17-L423 HydrophobicContact CD2-CD2 4.21Å
18N93.8Very high82.7Confident87 Ų8772.6 Ų72.647%0.46541%0.409SS..Hα-helixtrans-61.4-52.5174.4-170.920.7000110.8Q16 A20 M21Q16-N18 VanDerWaalsContact C-N 3.26Å; Q16-N18 PolarHBondContact O-N 2.83Å; N18-A20 VanDerWaalsContact C-N 3.25Å; N18-A20 PolarHBondContact O-N 3.19Å; N18-M21 PolarHBondContact O-N 2.81Å
19A95.9Very high85.6Confident0 Ų074.8 Ų74.80%041%0.406CS..Hα-helixtrans-59.8-34.5175.400000113Q16 M21 A22 H28 L31 L32Q16-A19 HydrophobicContact CB-CB 4.27Å; Q16-A19 PolarHBondContact O-N 2.74Å; Q16-A19 VanDerWaalsContact O-N 3.16Å; A19-M21 PolarHBondContact O-N 2.63Å; A19-A22 VanDerWaalsContact O-CB 3.28Å; A19-A22 WeakPolarHBondContact O-CB 3.5Å; A19-A22 PolarHBondContact O-N 2.79Å; A19-H28 PolarHBondContact O-ND1 3.38Å; A19-L31 HydrophobicContact CB-CB 3.76Å; A19-L32 HydrophobicContact CB-CD2 4.08Å
20A93.8Very high88.3Confident15 Ų1572.2 Ų72.212%0.12439%0.387CS..Hα-helixtrans-66.7-24.4-179.500000113.9Q16 L17 N18 A22Q16-A20 WeakPolarHBondContact O-CB 3.29Å; Q16-A20 PolarHBondContact O-N 2.88Å; L17-A20 WeakPolarHBondContact O-CB 3.27Å; L17-A20 PolarHBondContact O-N 3.26Å; N18-A20 VanDerWaalsContact C-N 3.25Å; N18-A20 PolarHBondContact O-N 3.19Å; A20-A22 VanDerWaalsContact C-N 3.34Å
21M92.3Very high90.6Very high142 Ų14270.3 Ų70.370%0.737%0.365SS*.THydrogen-bonded Turntrans-88.4-2.1-179.8-66.3-62.1-69.300113.2L17 N18 A19L17-M21 WeakPolarHBondContact O-CG 3.33Å; L17-M21 PolarHBondContact O-N 3.07Å; N18-M21 PolarHBondContact O-N 2.81Å; A19-M21 PolarHBondContact O-N 2.63Å
22A95.7Very high92.9Very high6 Ų667 Ų675%0.0535%0.353CS..  trans-57.3149.617600000112.5A19 A20 E27 H28 L31 F389 R391A19-A22 VanDerWaalsContact O-CB 3.28Å; A19-A22 WeakPolarHBondContact O-CB 3.5Å; A19-A22 PolarHBondContact O-N 2.79Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A22-E27 HydrophobicContact CB-CB 4.06Å; A22-E27 HydrophobicContact CB-CG 3.94Å; A22-H28 HydrophobicContact CB-CB 3.83Å; A22-L31 HydrophobicContact CB-CD1 4.27Å; A22-F389 HydrophobicContact CB-CE2 4.5Å; A22-F389 WeakPolarHBondContact O-CZ 3.27Å; A22-R391 PolarHBondContact O-NH1 2.97Å
23D95.9Very high94.8Very high128 Ų12866.5 Ų66.568%0.68435%0.351SS*.SBendtrans-87.7-18.3177.7-73.2-42.1000113.4R391D23-R391 IonicContact OD1-CZ 3.58Å; D23-R391 IonicContact OD1-NH1 2.82Å; D23-R391 PolarHBondContact OD1-NH1 3.33Å; D23-R391 IonicContact OD1-NH2 3.05Å; D23-R391 PolarHBondContact OD1-NH2 3.2Å
24T97.4Very high96Very high76 Ų7670 Ų7047%0.46637%0.371SS..SBendtrans-131.5155.8178.372.20000110.6L26 E27 H28T24-L26 VanDerWaalsContact C-N 3.27Å; T24-L26 PolarHBondContact O-N 2.79Å; T24-E27 PolarHBondContact O-N 3.5Å; T24-E27 WeakPolarHBondContact OG1-CB 3.47Å; T24-E27 PolarHBondContact OG1-N 3.3Å; T24-E27 VanDerWaalsContact OG1-N 3.12Å; T24-H28 WeakPolarHBondContact O-CB 3.39Å; T24-H28 PolarHBondContact O-N 3.28Å
25F97.9Very high96.3Very high108 Ų10872 Ų7247%0.47438%0.379SS..Hα-helixtrans-63.4-33.5174.5-176-109.9000112.5H28 M29 F389F25-H28 AromaticContact CE2-CD2 3.97Å; F25-H28 WeakPolarHBondContact O-CB 3.24Å; F25-H28 PolarHBondContact O-N 3.07Å; F25-M29 HydrophobicContact CD1-CG 4.38Å; F25-M29 HydrophobicContact CD1-SD 3.9Å; F25-M29 HydrophobicContact CE1-CG 3.99Å; F25-M29 HydrophobicContact CE1-SD 3.38Å; F25-M29 WeakPolarHBondContact CE1-SD 3.48Å; F25-M29 HydrophobicContact CE2-CG 4.45Å; F25-M29 HydrophobicContact CZ-CG 4.02Å; F25-M29 HydrophobicContact CZ-SD 3.92Å; F25-M29 WeakPolarHBondContact O-CG 3.3Å; F25-M29 PolarHBondContact O-N 3.26Å; F25-F389 HydrophobicContact CB-CD1 4.24Å; F25-F389 HydrophobicContact CB-CE1 4.41Å; F25-F389 HydrophobicContact CD2-CB 4.01Å; F25-F389 AromaticContact CD2-CD1 3.88Å; F25-F389 HydrophobicContact CD2-CD1 3.88Å; F25-F389 HydrophobicContact CD2-CG 4.26Å; F25-F389 HydrophobicContact CE2-CB 4.28Å
26L98.4Very high96.5Very high123 Ų12370.4 Ų70.464%0.64437%0.372SS*.Hα-helixtrans-64.7-47.9177.1179.661.1000111.4T24 H28 M29 C30T24-L26 VanDerWaalsContact C-N 3.27Å; T24-L26 PolarHBondContact O-N 2.79Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 2.86Å; L26-M29 WeakPolarHBondContact O-CB 3.28Å; L26-M29 PolarHBondContact O-N 3.03Å; L26-C30 PolarHBondContact O-N 2.93Å; L26-C30 PolarHBondContact O-SG 3.09Å; L26-C30 VanDerWaalsContact O-SG 3.39Å
27E98.3Very high96.5Very high90 Ų9076.6 Ų76.642%0.42140%0.401SS..Hα-helixtrans-63.8-39.9176.5-177.962.5-167.400111.4A22 T24 M29 C30 L31A22-E27 HydrophobicContact CB-CB 4.06Å; A22-E27 HydrophobicContact CB-CG 3.94Å; T24-E27 PolarHBondContact O-N 3.5Å; T24-E27 WeakPolarHBondContact OG1-CB 3.47Å; T24-E27 PolarHBondContact OG1-N 3.3Å; T24-E27 VanDerWaalsContact OG1-N 3.12Å; E27-M29 VanDerWaalsContact C-N 3.29Å; E27-M29 PolarHBondContact O-N 3.14Å; E27-C30 WeakPolarHBondContact O-CB 3.11Å; E27-C30 PolarHBondContact O-N 2.79Å; E27-C30 VanDerWaalsContact O-N 3.1Å; E27-L31 HydrophobicContact CG-CD1 3.92Å; E27-L31 HydrophobicContact CG-CG 4.34Å; E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.2Å
28H98.4Very high96.6Very high4 Ų475.7 Ų75.72%0.01940%0.397CS..Hα-helixtrans-53.4-46.9172.4168.972.8000111.6A19 A22 T24 F25 L26 C30 L31 L32 A387 F389A19-H28 PolarHBondContact O-ND1 3.38Å; A22-H28 HydrophobicContact CB-CB 3.83Å; T24-H28 WeakPolarHBondContact O-CB 3.39Å; T24-H28 PolarHBondContact O-N 3.28Å; F25-H28 AromaticContact CE2-CD2 3.97Å; F25-H28 WeakPolarHBondContact O-CB 3.24Å; F25-H28 PolarHBondContact O-N 3.07Å; L26-H28 VanDerWaalsContact C-N 3.31Å; L26-H28 PolarHBondContact O-N 2.86Å; H28-C30 PolarHBondContact O-N 3.31Å; H28-L31 PolarHBondContact O-N 2.71Å; H28-L32 PolarHBondContact O-N 2.92Å; H28-A387 PolarHBondContact CE1-O 2.99Å; H28-A387 PolarHBondContact NE2-O 2.9Å; H28-F389 HydrophobicContact CB-CD2 3.95Å; H28-F389 HydrophobicContact CB-CE2 4.17Å; H28-F389 HydrophobicContact CB-CG 4.22Å; H28-F389 AromaticContact CG-CD2 3.67Å; H28-F389 AromaticContact CG-CG 3.87Å; H28-F389 AromaticContact ND1-CD2 3.62Å
29M98.3Very high96.6Very high102 Ų10274.1 Ų74.150%0.50239%0.391SS..Hα-helixtrans-63.3-39.7176.3-68.7176.970.200112.7F25 L26 E27 L31 L32F25-M29 HydrophobicContact CD1-CG 4.38Å; F25-M29 HydrophobicContact CD1-SD 3.9Å; F25-M29 HydrophobicContact CE1-CG 3.99Å; F25-M29 HydrophobicContact CE1-SD 3.38Å; F25-M29 WeakPolarHBondContact CE1-SD 3.48Å; F25-M29 HydrophobicContact CE2-CG 4.45Å; F25-M29 HydrophobicContact CZ-CG 4.02Å; F25-M29 HydrophobicContact CZ-SD 3.92Å; F25-M29 WeakPolarHBondContact O-CG 3.3Å; F25-M29 PolarHBondContact O-N 3.26Å; L26-M29 WeakPolarHBondContact O-CB 3.28Å; L26-M29 PolarHBondContact O-N 3.03Å; E27-M29 VanDerWaalsContact C-N 3.29Å; E27-M29 PolarHBondContact O-N 3.14Å; M29-L31 VanDerWaalsContact C-N 3.25Å; M29-L31 PolarHBondContact O-N 3.29Å; M29-L32 PolarHBondContact O-N 2.86Å
30C98.3Very high96.5Very high90 Ų9077.8 Ų77.861%0.60841%0.413SS*.Hα-helixtrans-65-28.7177.9-69.40000113.2L26 E27 H28L26-C30 PolarHBondContact O-N 2.93Å; L26-C30 PolarHBondContact O-SG 3.09Å; L26-C30 VanDerWaalsContact O-SG 3.39Å; E27-C30 WeakPolarHBondContact O-CB 3.11Å; E27-C30 PolarHBondContact O-N 2.79Å; E27-C30 VanDerWaalsContact O-N 3.1Å; H28-C30 PolarHBondContact O-N 3.31Å
31L98.1Very high96.6Very high45 Ų4577.3 Ų77.324%0.23641%0.409CS..THydrogen-bonded Turntrans-92.5-0.7-177-68.7176.6000114.3A19 A22 E27 H28 M29 D33A19-L31 HydrophobicContact CB-CB 3.76Å; A22-L31 HydrophobicContact CB-CD1 4.27Å; E27-L31 HydrophobicContact CG-CD1 3.92Å; E27-L31 HydrophobicContact CG-CG 4.34Å; E27-L31 WeakPolarHBondContact O-CG 3.42Å; E27-L31 PolarHBondContact O-N 3.2Å; H28-L31 PolarHBondContact O-N 2.71Å; M29-L31 VanDerWaalsContact C-N 3.25Å; M29-L31 PolarHBondContact O-N 3.29Å; L31-D33 PolarHBondContact O-N 2.81Å
32L98.1Very high96.8Very high76 Ų7671.3 Ų71.340%0.39838%0.379SS..  trans-62.4129.7174.7-69176.1000110.2Q16 A19 H28 M29 A387Q16-L32 HydrophobicContact CB-CD2 4.46Å; Q16-L32 HydrophobicContact CG-CD2 4.3Å; A19-L32 HydrophobicContact CB-CD2 4.08Å; H28-L32 PolarHBondContact O-N 2.92Å; M29-L32 PolarHBondContact O-N 2.86Å; L32-A387 HydrophobicContact CD2-CB 3.82Å
33D97.9Very high97Very high60 Ų6071.6 Ų71.632%0.32138%0.38SS..  trans-126.6120.2-170.9-174.6-6000110.7Q16 L31 D35 S36Q16-D33 PolarHBondContact NE2-O 3.29Å; Q16-D33 PolarHBondContact OE1-O 3.22Å; L31-D33 PolarHBondContact O-N 2.81Å; D33-D35 PolarHBondContact O-N 3.21Å; D33-D35 PolarHBondContact OD1-N 3.49Å; D33-S36 WeakPolarHBondContact O-CB 3.49Å; D33-S36 PolarHBondContact O-N 3.3Å
34I97.4Very high97.1Very high163 Ų16365.7 Ų65.784%0.83635%0.348SS*.THydrogen-bonded Turntrans-70.4-17.5-178.263.2172.8000113.4
35D96.6Very high97.2Very high110 Ų11062.2 Ų62.259%0.58833%0.327SS*.THydrogen-bonded Turntrans-91.8-3.4178.1-64-38.8000111.7I12 D33 E37I12-D35 HydrophobicContact CD1-CB 3.58Å; D33-D35 PolarHBondContact O-N 3.21Å; D33-D35 PolarHBondContact OD1-N 3.49Å; D35-E37 PolarHBondContact O-N 2.82Å
36S95.4Very high97.2Very high3 Ų357 Ų572%0.02131%0.305CS..SBendtrans-85.2103.2175.3-179.10000111.4Q13 T14 Q15 Q16 D33Q13-S36 WeakPolarHBondContact O-CB 3.31Å; Q13-S36 PolarHBondContact O-OG 3.04Å; T14-S36 VanDerWaalsContact C-OG 3.31Å; T14-S36 WeakPolarHBondContact CA-OG 3.36Å; Q15-S36 PolarHBondContact N-OG 3.14Å; Q16-S36 PolarHBondContact N-OG 3.23Å; Q16-S36 PolarHBondContact NE2-O 2.67Å; D33-S36 WeakPolarHBondContact O-CB 3.49Å; D33-S36 PolarHBondContact O-N 3.3Å
37E95.3Very high97.3Very high144 Ų14451.2 Ų51.267%0.67327%0.274SS*.PPolyproline II helixtrans-67.8140.2-177.1-63.9-171.8162.400113.5T14 Q15 D35T14-E37 WeakPolarHBondContact CB-O 3.32Å; Q15-E37 PolarHBondContact N-O 3.33Å; D35-E37 PolarHBondContact O-N 2.82Å
38P95.8Very high97.3Very high17 Ų1746.9 Ų46.911%0.1125%0.254CS..PPolyproline II helixtrans-78.6162175.133.9-37000112R382 E383 A386P38-R382 HydrophobicContact CB-CB 4.28Å; P38-R382 HydrophobicContact CG-CB 4.2Å; P38-R382 PolarHBondContact O-NH2 2.88Å; P38-E383 VanDerWaalsContact CD-OE1 3.29Å; P38-E383 WeakPolarHBondContact CD-OE1 3.12Å; P38-E383 WeakPolarHBondContact CG-OE1 3.29Å; P38-A386 HydrophobicContact CB-CB 4Å
39T93.1Very high97.3Very high54 Ų5447 Ų4733%0.33126%0.255SS..PPolyproline II helixtrans-61.1158.1172.324.30000113.3Q15 A41 R382Q15-T39 VanDerWaalsContact CD-CG2 3.42Å; Q15-T39 HydrophobicContact CG-CG2 3.95Å; Q15-T39 PolarHBondContact NE2-OG1 3.3Å; T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 3.43Å; T39-R382 PolarHBondContact O-NE 2.85Å; T39-R382 PolarHBondContact O-NH2 3.41Å
40T94.4Very high97.3Very high77 Ų7742.5 Ų42.547%0.47223%0.233SC..SBendtrans-57.2-38.5172.8-47.40000113.1R499 G500T40-R499 WeakPolarHBondContact CG2-O 3.44Å; T40-G500 PolarHBondContact OG1-O 3.1Å
41A94.9Very high97.3Very high5 Ų538.4 Ų38.44%0.04121%0.206CC..  trans-69.4136.8-179.600000111.7T39 P448 F469 F501T39-A41 VanDerWaalsContact C-N 3.28Å; T39-A41 PolarHBondContact O-N 3.43Å; A41-P448 HydrophobicContact CB-CB 4Å; A41-P448 HydrophobicContact CB-CG 3.99Å; A41-F469 HydrophobicContact CB-CE2 4.19Å; A41-F469 HydrophobicContact CB-CZ 3.76Å; A41-F501 HydrophobicContact CB-CD1 3.92Å; A41-F501 HydrophobicContact CB-CE1 3.86Å; A41-F501 HydrophobicContact CB-CG 4.49Å; A41-F501 HydrophobicContact CB-CZ 4.37Å
42R98.3Very high97.3Very high16 Ų1641.3 Ų41.36%0.0623%0.228CC..  trans-114.1114.3169.1-172.8-166.472.182.19.1110.9T44 N69 H378 A381 R382 E385 F469R42-T44 PolarHBondContact NH1-O 3.2Å; R42-T44 PolarHBondContact NH2-O 2.81Å; R42-N69 PolarHBondContact NH2-OD1 3.35Å; R42-H378 WeakPolarHBondContact CD-ND1 3.49Å; R42-A381 HydrophobicContact CG-CB 4.07Å; R42-R382 HydrophobicContact CB-CG 3.54Å; R42-R382 HydrophobicContact CG-CG 3.73Å; R42-E385 WeakPolarHBondContact CA-OE2 3.38Å; R42-F469 WeakPolarHBondContact O-CZ 3.46Å
43N98.6Very high97.3Very high13 Ų1339.3 Ų39.37%0.0722%0.222CC..  trans-80.5-37.7-171-73.9-25.4000114E385 R446 R466 G467 F469N43-E385 HydrophobicContact CB-CG 4.34Å; N43-E385 PolarHBondContact N-OE1 3.26Å; N43-E385 VanDerWaalsContact N-OE1 3.14Å; N43-E385 PolarHBondContact N-OE2 3.42Å; N43-R446 PolarHBondContact ND2-O 3.21Å; N43-R466 HydrophobicContact CB-CG 4.02Å; N43-R466 CarbonylContact O-C 3.49Å; N43-G467 PolarHBondContact O-N 3.41Å; N43-F469 WeakPolarHBondContact OD1-CE2 3.33Å
44T98.9Very high97.3Very high3 Ų336.4 Ų36.42%0.01821%0.206CC..SBendtrans-60.3159.7178.9-520000109.2R42 V351 D356 I358 E385R42-T44 PolarHBondContact NH1-O 3.2Å; R42-T44 PolarHBondContact NH2-O 2.81Å; T44-V351 HydrophobicContact CG2-CG2 4.13Å; T44-D356 CarbonylContact C-O 3.47Å; T44-D356 WeakPolarHBondContact CA-O 3.32Å; T44-D356 WeakPolarHBondContact CG2-O 3.41Å; T44-I358 HydrophobicContact CG2-CG1 4.1Å; T44-I358 HydrophobicContact CG2-CG2 4.24Å; T44-E385 VanDerWaalsContact CB-OE1 3.25Å; T44-E385 WeakPolarHBondContact CB-OE1 3.34Å; T44-E385 PolarHBondContact N-OE1 3.11Å; T44-E385 PolarHBondContact OG1-OE1 2.91Å
45G98.8Very high97.3Very high3 Ų331 Ų313%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-92.6147.6168.200000111.5D356 C357 I358G45-D356 PolarHBondContact N-O 3.44Å; G45-C357 WeakPolarHBondContact O-CA 3.12Å; G45-I358 PolarHBondContact O-N 3.32Å
46I98.9Very high97.4Very high0 Ų028.4 Ų28.40%017%0.166CC..EExtended strand (participates in β ladder)trans-111.8118.5169.6-73.6161.5000109.3C48 N69 I70 I358 V374 Q377 H378I46-C48 VanDerWaalsContact CG2-SG 3.58Å; I46-N69 PolarHBondContact N-OD1 3.17Å; I46-N69 PolarHBondContact O-N 3.46Å; I46-I70 PolarHBondContact O-N 3.2Å; I46-I358 HydrophobicContact CG1-CD1 4.29Å; I46-I358 HydrophobicContact CG1-CG1 4.07Å; I46-V374 HydrophobicContact CG2-CG1 4.47Å; I46-Q377 HydrophobicContact CD1-CB 4.02Å; I46-Q377 HydrophobicContact CG1-CB 4.29Å; I46-H378 HydrophobicContact CD1-CB 3.99Å
47I98.9Very high97.5Very high0 Ų029.3 Ų29.30%017%0.171CC..EExtended strand (participates in β ladder)trans-99.8127.2173.6-60.2159000108I70 R72 F240 T324 C357 I358 M359 L360I47-I70 WeakPolarHBondContact CA-O 3.1Å; I47-I70 HydrophobicContact CB-CB 4.41Å; I47-I70 HydrophobicContact CD1-CD1 4.41Å; I47-I70 HydrophobicContact CG1-CB 3.87Å; I47-I70 HydrophobicContact CG1-CD1 3.87Å; I47-I70 HydrophobicContact CG1-CG1 4.39Å; I47-I70 HydrophobicContact CG1-CG2 4.27Å; I47-I70 HydrophobicContact CG2-CB 4.38Å; I47-I70 HydrophobicContact CG2-CG2 4.23Å; I47-R72 HydrophobicContact CG2-CB 3.84Å; I47-F240 HydrophobicContact CD1-CZ 4.1Å; I47-F240 HydrophobicContact CG2-CE2 4Å; I47-F240 HydrophobicContact CG2-CZ 4.27Å; I47-T324 HydrophobicContact CD1-CG2 3.56Å; I47-C357 HydrophobicContact CD1-CB 3.65Å; I47-C357 HydrophobicContact CG1-CB 4.26Å; I47-I358 PolarHBondContact N-O 2.71Å; I47-M359 HydrophobicContact CB-CB 4.06Å; I47-M359 HydrophobicContact CB-CG 3.84Å; I47-M359 HydrophobicContact CB-SD 4.49Å; I47-M359 HydrophobicContact CG2-CB 4.47Å; I47-M359 HydrophobicContact CG2-CG 3.74Å; I47-M359 HydrophobicContact CG2-SD 3.93Å; I47-M359 CarbonylContact O-C 3.59Å; I47-M359 VanDerWaalsContact O-CA 3.32Å; I47-M359 WeakPolarHBondContact O-CA 3.39Å; I47-L360 PolarHBondContact O-N 2.94Å
48C98.9Very high97.7Very high0 Ų027.8 Ų27.80%017%0.168CC..EExtended strand (participates in β ladder)trans-118.6128.3178.4-62.20000110.2I46 I50 M63 M68 I70 R72 T364 V374I46-C48 VanDerWaalsContact CG2-SG 3.58Å; C48-I50 HydrophobicContact CB-CD1 4.35Å; C48-I50 PolarHBondContact O-N 3.23Å; C48-M63 HydrophobicContact CB-CE 3.5Å; C48-M63 VanDerWaalsContact CB-CE 3.5Å; C48-M68 HydrophobicContact CB-CG 3.9Å; C48-M68 HydrophobicContact CB-SD 3.69Å; C48-I70 PolarHBondContact N-O 3.29Å; C48-R72 PolarHBondContact O-N 3.44Å; C48-T364 HydrophobicContact CB-CG2 4.19Å; C48-V374 VanDerWaalsContact SG-CG2 3.56Å
49T98.9Very high97.8Very high5 Ų529.4 Ų29.43%0.03118%0.175CC..EExtended strand (participates in β ladder)trans-74.8126.2170.6-52.50000109.5R72 N74 L360 S361 T364 A365T49-R72 WeakPolarHBondContact CA-O 3.48Å; T49-R72 HydrophobicContact CG2-CG 4.47Å; T49-R72 VanDerWaalsContact CG2-NH1 3.31Å; T49-R72 WeakPolarHBondContact OG1-CD 3.32Å; T49-R72 PolarHBondContact OG1-NH1 2.98Å; T49-N74 HydrophobicContact CG2-CB 4.33Å; T49-L360 WeakPolarHBondContact CB-O 3.46Å; T49-L360 PolarHBondContact N-O 3.04Å; T49-L360 PolarHBondContact OG1-O 2.78Å; T49-S361 WeakPolarHBondContact OG1-CA 3.18Å; T49-T364 PolarHBondContact N-OG1 2.92Å; T49-T364 CarbonylContact O-C 3.44Å; T49-T364 WeakPolarHBondContact O-CB 3.46Å; T49-T364 PolarHBondContact O-OG1 2.61Å; T49-A365 HydrophobicContact CG2-CB 3.89Å; T49-A365 WeakPolarHBondContact O-CA 3.48Å; T49-A365 PolarHBondContact O-N 3.05Å
50I98.8Very high98.1Very high8 Ų826.8 Ų26.84%0.04116%0.159CC..  trans-93.5134.6-179.8-49.4-53.2000109.6C48 R55 L60 M63 M68 A71 R72 L73 T86C48-I50 HydrophobicContact CB-CD1 4.35Å; C48-I50 PolarHBondContact O-N 3.23Å; I50-R55 HydrophobicContact CG2-CB 3.99Å; I50-L60 HydrophobicContact CD1-CD2 3.85Å; I50-L60 HydrophobicContact CG1-CD2 4.4Å; I50-L60 HydrophobicContact CG2-CD2 4.33Å; I50-M63 HydrophobicContact CD1-CE 4.24Å; I50-M63 HydrophobicContact CD1-SD 4.44Å; I50-M68 HydrophobicContact CD1-SD 3.89Å; I50-A71 HydrophobicContact CD1-CB 4.25Å; I50-A71 HydrophobicContact CG1-CB 3.77Å; I50-R72 PolarHBondContact N-O 3.41Å; I50-L73 HydrophobicContact CB-CD2 4.46Å; I50-T86 HydrophobicContact CB-CG2 4Å; I50-T86 HydrophobicContact CG2-CG2 3.48Å; I50-T86 VanDerWaalsContact CG2-CG2 3.48Å
51G97.9Very high98.3Very high4 Ų425.8 Ų25.84%0.04115%0.148CC..  trans-157-163.4-179.500000111.8A53 S54 R55 A365G51-A53 PolarHBondContact O-N 3.41Å; G51-A53 VanDerWaalsContact O-N 3.1Å; G51-S54 PolarHBondContact N-OG 3.13Å; G51-S54 VanDerWaalsContact N-OG 3.1Å; G51-S54 PolarHBondContact O-N 3.46Å; G51-R55 VanDerWaalsContact O-CB 3.32Å; G51-R55 WeakPolarHBondContact O-CB 3.35Å; G51-R55 PolarHBondContact O-N 3.13Å; G51-A365 CarbonylContact C-O 3.46Å; G51-A365 VanDerWaalsContact CA-O 3.29Å; G51-A365 WeakPolarHBondContact CA-O 3.31Å
52P97.6Very high98.5Very high107 Ų10728.7 Ų28.770%0.69516%0.16SC*.THydrogen-bonded Turntrans-51.1-35.8-177.7-28.936000114.9S54 A365P52-S54 VanDerWaalsContact C-N 3.32Å; P52-S54 PolarHBondContact O-N 2.82Å; P52-A365 VanDerWaalsContact CD-O 3.28Å; P52-A365 WeakPolarHBondContact CD-O 3.19Å; P52-A365 VanDerWaalsContact N-O 3.13Å
53A97.3Very high98.5Very high33 Ų3327.9 Ų27.927%0.27316%0.158SC..THydrogen-bonded Turntrans-75.5-17.8-17900000114.1G51 A365 G367G51-A53 PolarHBondContact O-N 3.41Å; G51-A53 VanDerWaalsContact O-N 3.1Å; A53-A365 PolarHBondContact N-O 3.41Å; A53-G367 VanDerWaalsContact CB-O 3.31Å; A53-G367 WeakPolarHBondContact CB-O 3.28Å
54S98Very high98.5Very high0 Ų027.3 Ų27.30%015%0.154CC..THydrogen-bonded Turntrans-133.6-0.6-167.248.50000115.4G51 P52 S56 L60 M63 T364G51-S54 PolarHBondContact N-OG 3.13Å; G51-S54 VanDerWaalsContact N-OG 3.1Å; G51-S54 PolarHBondContact O-N 3.46Å; P52-S54 VanDerWaalsContact C-N 3.32Å; P52-S54 PolarHBondContact O-N 2.82Å; S54-S56 PolarHBondContact O-N 2.85Å; S54-L60 VanDerWaalsContact O-CD2 3.31Å; S54-L60 WeakPolarHBondContact O-CD2 3.35Å; S54-L60 VanDerWaalsContact O-CG 3.23Å; S54-L60 WeakPolarHBondContact O-CG 3.3Å; S54-M63 VanDerWaalsContact CB-SD 3.53Å; S54-T364 WeakPolarHBondContact CB-O 3.39Å; S54-T364 PolarHBondContact OG-O 3.41Å
55R97.6Very high98.4Very high50 Ų5032.2 Ų32.219%0.18918%0.176CC..  trans-79.3-10.6-173.872.5-175.2-56-128.2-0.2115.7I50 G51 Y82 E85 T86 N89I50-R55 HydrophobicContact CG2-CB 3.99Å; G51-R55 VanDerWaalsContact O-CB 3.32Å; G51-R55 WeakPolarHBondContact O-CB 3.35Å; G51-R55 PolarHBondContact O-N 3.13Å; R55-Y82 PolarHBondContact NH2-O 2.86Å; R55-E85 IonicContact CZ-OE2 2.76Å; R55-E85 IonicContact NH1-OE2 3.79Å; R55-E85 PolarHBondContact NH1-OE2 3.18Å; R55-E85 IonicContact NH2-OE1 3.05Å; R55-E85 IonicContact NH2-OE2 3.84Å; R55-E85 PolarHBondContact NH2-OE2 2.82Å; R55-T86 HydrophobicContact CB-CG2 4.43Å; R55-T86 PolarHBondContact NH2-OG1 2.93Å; R55-N89 WeakPolarHBondContact O-CB 3.28Å; R55-N89 PolarHBondContact O-ND2 3.15Å
56S98.6Very high98.4Very high55 Ų5532.7 Ų32.739%0.38518%0.178SC..SBendtrans-74.914517967.60000110.8S54 D58 I59 L60S54-S56 PolarHBondContact O-N 2.85Å; S56-D58 PolarHBondContact O-N 3.45Å; S56-I59 PolarHBondContact O-N 2.92Å; S56-I59 WeakPolarHBondContact OG-CB 3.42Å; S56-I59 VanDerWaalsContact OG-CG1 3.28Å; S56-I59 WeakPolarHBondContact OG-CG1 3.4Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 2.95Å
57V98.8Very high98.4Very high21 Ų2133.1 Ų33.113%0.12718%0.183CC..Hα-helixtrans-56.3-39.5-177.9174.50000111.8L60 K61 N89 E92 A93V57-L60 PolarHBondContact O-N 3.42Å; V57-K61 HydrophobicContact CG1-CD 4.42Å; V57-K61 WeakPolarHBondContact O-CG 3.43Å; V57-K61 PolarHBondContact O-N 3.46Å; V57-N89 HydrophobicContact CG2-CB 3.85Å; V57-E92 HydrophobicContact CG1-CG 4.22Å; V57-E92 HydrophobicContact CG2-CB 4.37Å; V57-E92 HydrophobicContact CG2-CG 4.38Å; V57-A93 HydrophobicContact CG1-CB 4.2Å
58D98.5Very high98.4Very high113 Ų11333.2 Ų33.260%0.60418%0.183SC*.Hα-helixtrans-68.2-42.6-179.1-65.8-30.2000112.8S56 L60 K61 E62S56-D58 PolarHBondContact O-N 3.45Å; D58-L60 VanDerWaalsContact C-N 3.34Å; D58-K61 PolarHBondContact O-N 3.06Å; D58-K61 IonicContact OD1-NZ 2.92Å; D58-E62 PolarHBondContact O-N 3.26Å
59I98.5Very high98.3Very high50 Ų5034.2 Ų34.226%0.25619%0.189SC..Hα-helixtrans-66.7-40.1175.2-64.4-64.9000110.4S56 K61 E62 M63 L371S56-I59 PolarHBondContact O-N 2.92Å; S56-I59 WeakPolarHBondContact OG-CB 3.42Å; S56-I59 VanDerWaalsContact OG-CG1 3.28Å; S56-I59 WeakPolarHBondContact OG-CG1 3.4Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.06Å; I59-E62 CarbonylContact O-C 3.54Å; I59-E62 PolarHBondContact O-N 3.3Å; I59-E62 VanDerWaalsContact O-N 3.11Å; I59-M63 HydrophobicContact CG2-CG 4.2Å; I59-M63 HydrophobicContact CG2-SD 4.14Å; I59-M63 WeakPolarHBondContact O-CG 3.31Å; I59-M63 PolarHBondContact O-N 3.47Å; I59-L371 HydrophobicContact CG2-CD2 4.29Å
60L98.8Very high98.4Very high0 Ų034 Ų340%019%0.187CC..Hα-helixtrans-60-41.5176.1-71.4165.7000112.1I50 S54 S56 V57 D58 E62 M63 I64 M68 N89 V90 A93I50-L60 HydrophobicContact CD1-CD2 3.85Å; I50-L60 HydrophobicContact CG1-CD2 4.4Å; I50-L60 HydrophobicContact CG2-CD2 4.33Å; S54-L60 VanDerWaalsContact O-CD2 3.31Å; S54-L60 WeakPolarHBondContact O-CD2 3.35Å; S54-L60 VanDerWaalsContact O-CG 3.23Å; S54-L60 WeakPolarHBondContact O-CG 3.3Å; S56-L60 VanDerWaalsContact O-CG 3.31Å; S56-L60 WeakPolarHBondContact O-CG 3.38Å; S56-L60 PolarHBondContact O-N 2.95Å; V57-L60 PolarHBondContact O-N 3.42Å; D58-L60 VanDerWaalsContact C-N 3.34Å; L60-E62 VanDerWaalsContact C-N 3.31Å; L60-E62 PolarHBondContact O-N 2.91Å; L60-M63 PolarHBondContact O-N 3.05Å; L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.19Å; L60-M68 HydrophobicContact CD2-CE 4.17Å; L60-N89 HydrophobicContact CD1-CB 3.77Å; L60-V90 HydrophobicContact CD1-CG2 3.93Å; L60-V90 HydrophobicContact CD2-CG2 3.96Å; L60-A93 HydrophobicContact CB-CB 3.53Å
61K98.6Very high98.4Very high56 Ų5633.7 Ų33.724%0.24319%0.186CC..Hα-helixtrans-58-44.7173.5-73.8170.2-176.4165.20111.4V57 D58 I59 I64 K65 A93 S96 F97V57-K61 HydrophobicContact CG1-CD 4.42Å; V57-K61 WeakPolarHBondContact O-CG 3.43Å; V57-K61 PolarHBondContact O-N 3.46Å; D58-K61 PolarHBondContact O-N 3.06Å; D58-K61 IonicContact OD1-NZ 2.92Å; I59-K61 VanDerWaalsContact C-N 3.33Å; I59-K61 PolarHBondContact O-N 3.06Å; K61-I64 PolarHBondContact O-N 2.8Å; K61-K65 WeakPolarHBondContact O-CG 3.23Å; K61-K65 PolarHBondContact O-N 3.39Å; K61-A93 HydrophobicContact CG-CB 3.96Å; K61-S96 VanDerWaalsContact CE-OG 3.24Å; K61-S96 WeakPolarHBondContact CE-OG 3.47Å; K61-F97 HydrophobicContact CB-CE2 4.44Å; K61-F97 HydrophobicContact CB-CZ 4.31Å; K61-F97 HydrophobicContact CG-CE2 4.31Å
62E98.7Very high98.4Very high65 Ų6534.3 Ų34.330%0.30419%0.187SC..Hα-helixtrans-69.7-33178.2-67-52.3124.800112.8D58 I59 L60 K65 S66 L371D58-E62 PolarHBondContact O-N 3.26Å; I59-E62 CarbonylContact O-C 3.54Å; I59-E62 PolarHBondContact O-N 3.3Å; I59-E62 VanDerWaalsContact O-N 3.11Å; L60-E62 VanDerWaalsContact C-N 3.31Å; L60-E62 PolarHBondContact O-N 2.91Å; E62-K65 PolarHBondContact O-N 3.15Å; E62-K65 WeakPolarHBondContact OE1-CD 3.44Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; E62-S66 VanDerWaalsContact O-CB 3.23Å; E62-S66 WeakPolarHBondContact O-CB 3.36Å; E62-S66 PolarHBondContact O-N 3.3Å; E62-S66 PolarHBondContact O-OG 2.82Å; E62-L371 HydrophobicContact CB-CD1 3.87Å; E62-L371 HydrophobicContact CB-CD2 3.65Å; E62-L371 HydrophobicContact CB-CG 4.44Å
63M98.8Very high98.5Very high0 Ų029.3 Ų29.30%015%0.154CC..Hα-helixtrans-65.9-42.3172.3-71.1-177.976.700111.8C48 I50 S54 I59 L60 K65 S66 G67 M68 T364 L371 V374C48-M63 HydrophobicContact CB-CE 3.5Å; C48-M63 VanDerWaalsContact CB-CE 3.5Å; I50-M63 HydrophobicContact CD1-CE 4.24Å; I50-M63 HydrophobicContact CD1-SD 4.44Å; S54-M63 VanDerWaalsContact CB-SD 3.53Å; I59-M63 HydrophobicContact CG2-CG 4.2Å; I59-M63 HydrophobicContact CG2-SD 4.14Å; I59-M63 WeakPolarHBondContact O-CG 3.31Å; I59-M63 PolarHBondContact O-N 3.47Å; L60-M63 PolarHBondContact O-N 3.05Å; M63-K65 VanDerWaalsContact C-N 3.34Å; M63-K65 PolarHBondContact O-N 3.19Å; M63-S66 PolarHBondContact O-N 3.24Å; M63-G67 PolarHBondContact O-N 3.36Å; M63-M68 HydrophobicContact CB-CB 4.17Å; M63-M68 HydrophobicContact CB-CE 4.11Å; M63-M68 HydrophobicContact CB-SD 4.18Å; M63-M68 HydrophobicContact CE-SD 3.89Å; M63-M68 WeakPolarHBondContact O-CB 3.47Å; M63-M68 PolarHBondContact O-N 3.07Å; M63-M68 HydrophobicContact SD-SD 4.49Å; M63-T364 HydrophobicContact CE-CG2 3.77Å; M63-L371 HydrophobicContact CB-CD2 4.47Å; M63-L371 HydrophobicContact CG-CD2 3.61Å; M63-V374 HydrophobicContact CE-CG2 3.91Å
64I98.6Very high98.5Very high1 Ų129.4 Ų29.41%0.00515%0.15CC..Hα-helixtrans-61.1-43.8175.2-67.9168.1000110.7L60 K61 S66 G67 M68 A93 C94 F97 R105 I107L60-I64 VanDerWaalsContact O-CG1 3.23Å; L60-I64 WeakPolarHBondContact O-CG1 3.27Å; L60-I64 PolarHBondContact O-N 3.19Å; K61-I64 PolarHBondContact O-N 2.8Å; I64-S66 VanDerWaalsContact C-N 3.35Å; I64-G67 PolarHBondContact O-N 3.45Å; I64-M68 HydrophobicContact CG1-CE 3.76Å; I64-A93 HydrophobicContact CD1-CB 4.09Å; I64-C94 HydrophobicContact CD1-CB 4.23Å; I64-F97 HydrophobicContact CB-CE2 4.12Å; I64-F97 HydrophobicContact CD1-CE2 4.11Å; I64-F97 HydrophobicContact CG2-CD2 4.26Å; I64-F97 HydrophobicContact CG2-CE2 3.81Å; I64-F97 HydrophobicContact CG2-CZ 4.25Å; I64-R105 HydrophobicContact CG2-CB 4.17Å; I64-R105 PolarHBondContact O-NH1 2.93Å; I64-I107 HydrophobicContact CB-CD1 4.46Å; I64-I107 HydrophobicContact CD1-CD1 4.37Å; I64-I107 HydrophobicContact CD1-CG1 3.87Å; I64-I107 HydrophobicContact CG1-CD1 3.78Å; I64-I107 HydrophobicContact CG1-CG1 3.84Å; I64-I107 HydrophobicContact CG2-CD1 4.17Å
65K97.8Very high98.4Very high106 Ų10629.6 Ų29.646%0.46115%0.151SC..Hα-helixtrans-62.5-43.3175-71.3172.5-172.11720111.6K61 E62 M63 G67 F97 R105K61-K65 WeakPolarHBondContact O-CG 3.23Å; K61-K65 PolarHBondContact O-N 3.39Å; E62-K65 PolarHBondContact O-N 3.15Å; E62-K65 WeakPolarHBondContact OE1-CD 3.44Å; E62-K65 IonicContact OE1-NZ 2.75Å; E62-K65 PolarHBondContact OE1-NZ 3.1Å; M63-K65 VanDerWaalsContact C-N 3.34Å; M63-K65 PolarHBondContact O-N 3.19Å; K65-G67 VanDerWaalsContact C-N 3.28Å; K65-G67 PolarHBondContact O-N 3.13Å; K65-F97 HydrophobicContact CD-CZ 4.47Å; K65-F97 HydrophobicContact CG-CE1 4.06Å; K65-F97 HydrophobicContact CG-CZ 3.92Å; K65-R105 PolarHBondContact O-NH1 2.75Å
66S98.3Very high98.1Very high13 Ų1328.1 Ų28.19%0.09115%0.148CC..Hα-helixtrans-70.3-20.4-178.2-61.50000113.8E62 M63 I64 R375E62-S66 VanDerWaalsContact O-CB 3.23Å; E62-S66 WeakPolarHBondContact O-CB 3.36Å; E62-S66 PolarHBondContact O-N 3.3Å; E62-S66 PolarHBondContact O-OG 2.82Å; M63-S66 PolarHBondContact O-N 3.24Å; I64-S66 VanDerWaalsContact C-N 3.35Å; S66-R375 PolarHBondContact OG-NE 2.92Å
67G97.7Very high97.6Very high9 Ų931 Ų319%0.09316%0.155CC..THydrogen-bonded Turntrans131.88169.700000116.5M63 I64 K65 N69M63-G67 PolarHBondContact O-N 3.36Å; I64-G67 PolarHBondContact O-N 3.45Å; K65-G67 VanDerWaalsContact C-N 3.28Å; K65-G67 PolarHBondContact O-N 3.13Å; G67-N69 PolarHBondContact O-N 3.15Å; G67-N69 PolarHBondContact O-OD1 2.83Å
68M98.8Very high97.2Very high1 Ų132.2 Ų32.21%0.00517%0.173CC..  trans-60.2134.8174.4-179.5179.871.200111.1C48 I50 L60 M63 I64 I107C48-M68 HydrophobicContact CB-CG 3.9Å; C48-M68 HydrophobicContact CB-SD 3.69Å; I50-M68 HydrophobicContact CD1-SD 3.89Å; L60-M68 HydrophobicContact CD2-CE 4.17Å; M63-M68 HydrophobicContact CB-CB 4.17Å; M63-M68 HydrophobicContact CB-CE 4.11Å; M63-M68 HydrophobicContact CB-SD 4.18Å; M63-M68 HydrophobicContact CE-SD 3.89Å; M63-M68 WeakPolarHBondContact O-CB 3.47Å; M63-M68 PolarHBondContact O-N 3.07Å; M63-M68 HydrophobicContact SD-SD 4.49Å; I64-M68 HydrophobicContact CG1-CE 3.76Å; M68-I107 HydrophobicContact CE-CG2 4.29Å; M68-I107 WeakPolarHBondContact O-CD1 3.49Å
69N98.9Very high97.1Very high22 Ų2230.7 Ų30.712%0.11817%0.167CC..  trans-115.6-32.8177.8-59.6113.7000113.4R42 I46 G67 I107 G108 H463R42-N69 PolarHBondContact NH2-OD1 3.35Å; I46-N69 PolarHBondContact N-OD1 3.17Å; I46-N69 PolarHBondContact O-N 3.46Å; G67-N69 PolarHBondContact O-N 3.15Å; G67-N69 PolarHBondContact O-OD1 2.83Å; N69-I107 WeakPolarHBondContact O-CA 3.5Å; N69-G108 PolarHBondContact O-N 2.72Å; N69-H463 HydrophobicContact CB-CB 3.95Å; N69-H463 PolarHBondContact ND2-CE1 2.92Å; N69-H463 VanDerWaalsContact ND2-CE1 3.31Å; N69-H463 PolarHBondContact ND2-ND1 3.32Å
70I98.9Very high97.1Very high0 Ų031 Ų310%017%0.168CC..EExtended strand (participates in β ladder)trans-134.2126.1-177.5-61166000108.4I46 I47 C48 G108 A110 M238 F240 H463 L464I46-I70 PolarHBondContact O-N 3.2Å; I47-I70 WeakPolarHBondContact CA-O 3.1Å; I47-I70 HydrophobicContact CB-CB 4.41Å; I47-I70 HydrophobicContact CD1-CD1 4.41Å; I47-I70 HydrophobicContact CG1-CB 3.87Å; I47-I70 HydrophobicContact CG1-CD1 3.87Å; I47-I70 HydrophobicContact CG1-CG1 4.39Å; I47-I70 HydrophobicContact CG1-CG2 4.27Å; I47-I70 HydrophobicContact CG2-CB 4.38Å; I47-I70 HydrophobicContact CG2-CG2 4.23Å; C48-I70 PolarHBondContact N-O 3.29Å; I70-G108 CarbonylContact C-O 3.44Å; I70-G108 VanDerWaalsContact CA-O 3.3Å; I70-G108 WeakPolarHBondContact CA-O 3.34Å; I70-A110 HydrophobicContact CG2-CB 3.81Å; I70-M238 HydrophobicContact CD1-CE 4.04Å; I70-M238 HydrophobicContact CD1-SD 3.95Å; I70-M238 HydrophobicContact CG1-CE 4.36Å; I70-M238 HydrophobicContact CG2-CE 4.48Å; I70-M238 HydrophobicContact CG2-SD 3.99Å; I70-F240 HydrophobicContact CG2-CZ 4.49Å; I70-H463 HydrophobicContact CD1-CB 4Å; I70-H463 HydrophobicContact CG1-CB 3.98Å; I70-L464 HydrophobicContact CD1-CD2 4.08Å; I70-L464 HydrophobicContact CD1-CG 4.25Å
71A98.9Very high97.1Very high1 Ų137.5 Ų37.51%0.00820%0.198CC..EExtended strand (participates in β ladder)trans-89.6114.317200000109.4I50 V90 I107 G108 A110I50-A71 HydrophobicContact CD1-CB 4.25Å; I50-A71 HydrophobicContact CG1-CB 3.77Å; A71-V90 HydrophobicContact CB-CG1 3.97Å; A71-V90 HydrophobicContact CB-CG2 3.91Å; A71-I107 HydrophobicContact CB-CG2 4.42Å; A71-G108 PolarHBondContact N-O 2.66Å; A71-A110 PolarHBondContact O-N 3.12Å
72R98.9Very high97.1Very high18 Ų1837.6 Ų37.67%0.06820%0.197CC..EExtended strand (participates in β ladder)trans-91132.1175.8169.7-178.6175.6-100.5-0.9110.4I47 C48 T49 I50 D112 F240 M359I47-R72 HydrophobicContact CG2-CB 3.84Å; C48-R72 PolarHBondContact O-N 3.44Å; T49-R72 WeakPolarHBondContact CA-O 3.48Å; T49-R72 HydrophobicContact CG2-CG 4.47Å; T49-R72 VanDerWaalsContact CG2-NH1 3.31Å; T49-R72 WeakPolarHBondContact OG1-CD 3.32Å; T49-R72 PolarHBondContact OG1-NH1 2.98Å; I50-R72 PolarHBondContact N-O 3.41Å; R72-D112 HydrophobicContact CG-CB 4.19Å; R72-D112 IonicContact CZ-OD2 3.32Å; R72-D112 IonicContact NE-OD2 2.75Å; R72-D112 PolarHBondContact NE-OD2 3.4Å; R72-D112 VanDerWaalsContact NH2-CG 3.28Å; R72-D112 IonicContact NH2-OD1 3.81Å; R72-D112 IonicContact NH2-OD2 2.71Å; R72-D112 PolarHBondContact NH2-OD2 3.24Å; R72-F240 HydrophobicContact CB-CE2 4.16Å; R72-F240 HydrophobicContact CG-CD2 4.14Å; R72-F240 HydrophobicContact CG-CE2 4.08Å; R72-M359 WeakPolarHBondContact CD-SD 3.26Å
73L98.8Very high97.1Very high1 Ų134.7 Ų34.71%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-111.5117.6175-55.8171.2000108.5I50 F75 T86 I87 V109 A110 D112I50-L73 HydrophobicContact CB-CD2 4.46Å; L73-F75 HydrophobicContact CB-CD2 4.22Å; L73-F75 HydrophobicContact CB-CE2 3.8Å; L73-F75 HydrophobicContact CD1-CE2 4.45Å; L73-T86 HydrophobicContact CD2-CG2 3.51Å; L73-I87 HydrophobicContact CD1-CD1 3.68Å; L73-I87 HydrophobicContact CD1-CG1 3.38Å; L73-V109 HydrophobicContact CD1-CG1 3.81Å; L73-V109 HydrophobicContact CG-CG1 4.46Å; L73-A110 PolarHBondContact N-O 3.27Å; L73-D112 WeakPolarHBondContact O-CB 3.37Å; L73-D112 PolarHBondContact O-N 2.8Å
74N97.7Very high97.1Very high36 Ų3635.9 Ų35.919%0.19319%0.194CC..EExtended strand (participates in β ladder)trans-90.9108.2-178.5-177.4-1000110.9T49 S76 H77 H83T49-N74 HydrophobicContact CG2-CB 4.33Å; N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 3.04Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.15Å; N74-S76 PolarHBondContact OD1-N 3.39Å; N74-S76 PolarHBondContact OD1-OG 2.99Å; N74-H77 PolarHBondContact O-N 3.09Å; N74-H83 PolarHBondContact O-CE1 3.24Å; N74-H83 PolarHBondContact O-NE2 2.71Å
75F96.6Very high97.1Very high4 Ų440.3 Ų40.32%0.01821%0.214CC..THydrogen-bonded Turntrans-83.80.1-178-79.2-121.8000114.1L73 H77 H83 L111 D112 K223 D227 F230L73-F75 HydrophobicContact CB-CD2 4.22Å; L73-F75 HydrophobicContact CB-CE2 3.8Å; L73-F75 HydrophobicContact CD1-CE2 4.45Å; F75-H77 PolarHBondContact O-N 2.88Å; F75-H83 AromaticContact CD2-CD2 3.92Å; F75-H83 AromaticContact CD2-NE2 3.91Å; F75-H83 AromaticContact CE1-CD2 3.93Å; F75-H83 HydrophobicContact CE2-CB 4.21Å; F75-H83 AromaticContact CE2-CD2 3.76Å; F75-H83 AromaticContact CE2-CG 3.82Å; F75-H83 HydrophobicContact CZ-CB 3.94Å; F75-H83 AromaticContact CZ-CD2 3.79Å; F75-H83 AromaticContact CZ-CG 3.92Å; F75-L111 HydrophobicContact CD1-CD1 4.46Å; F75-L111 HydrophobicContact CD2-CD1 4.34Å; F75-L111 HydrophobicContact CD2-CD2 4.39Å; F75-L111 HydrophobicContact CD2-CG 3.79Å; F75-L111 HydrophobicContact CE1-CD1 3.9Å; F75-L111 HydrophobicContact CE1-CG 4.38Å; F75-L111 HydrophobicContact CE2-CB 4.38Å; F75-L111 HydrophobicContact CE2-CD1 3.8Å; F75-L111 HydrophobicContact CE2-CG 3.57Å; F75-L111 HydrophobicContact CG-CG 4.3Å; F75-L111 HydrophobicContact CZ-CD1 3.53Å; F75-L111 HydrophobicContact CZ-CG 3.87Å; F75-D112 VanDerWaalsContact CB-O 3.32Å; F75-D112 WeakPolarHBondContact CB-O 2.84Å; F75-D112 PolarHBondContact N-O 2.89Å; F75-K223 PolarHBondContact O-NZ 2.84Å; F75-D227 HydrophobicContact CD1-CB 3.67Å; F75-D227 HydrophobicContact CE1-CB 4.1Å; F75-F230 AromaticContact CE1-CD1 3.74Å; F75-F230 HydrophobicContact CE1-CD1 3.74Å; F75-F230 HydrophobicContact CE1-CE1 4.08Å; F75-F230 AromaticContact CZ-CD1 3.74Å; F75-F230 HydrophobicContact CZ-CD1 3.74Å; F75-F230 AromaticContact CZ-CE1 3.74Å; F75-F230 HydrophobicContact CZ-CE1 3.74Å
76S90.3Very high97.1Very high19 Ų1935.3 Ų35.313%0.13319%0.192CC..THydrogen-bonded Turntrans-62.6-19.6161.7-56.70000111.5N74 E117N74-S76 VanDerWaalsContact C-N 3.31Å; N74-S76 PolarHBondContact O-N 3.04Å; N74-S76 VanDerWaalsContact OD1-CB 3.3Å; N74-S76 WeakPolarHBondContact OD1-CB 3.15Å; N74-S76 PolarHBondContact OD1-N 3.39Å; N74-S76 PolarHBondContact OD1-OG 2.99Å; S76-E117 WeakPolarHBondContact CB-OE1 3.22Å; S76-E117 PolarHBondContact OG-OE1 3.01Å
77H89Confident97.2Very high114 Ų11434.7 Ų34.753%0.52819%0.188SC..SBendtrans-131.8163.1176.2-53.8-58.8000112N74 F75 H83N74-H77 PolarHBondContact O-N 3.09Å; F75-H77 PolarHBondContact O-N 2.88Å; H77-H83 PolarHBondContact O-NE2 2.84Å
78G91Very high97.2Very high48 Ų4840.8 Ų40.850%0.49521%0.212SC..SBendtrans76.8165.9177.800000114
79T96.3Very high97.2Very high80 Ų8041.8 Ų41.849%0.49122%0.217SC..  trans-103.1171.7174.569.50000110.5E81 Y82 H83T79-E81 WeakPolarHBondContact CB-OE2 3.36Å; T79-E81 PolarHBondContact O-N 3.31Å; T79-E81 PolarHBondContact OG1-N 3.26Å; T79-E81 PolarHBondContact OG1-OE2 2.99Å; T79-Y82 PolarHBondContact O-N 2.87Å; T79-Y82 PolarHBondContact OG1-N 2.94Å; T79-H83 PolarHBondContact O-CD2 2.91Å; T79-H83 VanDerWaalsContact O-CD2 3.24Å; T79-H83 PolarHBondContact O-N 3.26Å
80H98.4Very high97.2Very high57 Ų5740.9 Ų40.926%0.26421%0.213SC..Hα-helixtrans-59.7-36.6174.9-72.4-174.6000112H83 A84 D227 F230H80-H83 PolarHBondContact O-N 2.9Å; H80-A84 VanDerWaalsContact O-CB 3.26Å; H80-A84 WeakPolarHBondContact O-CB 3.41Å; H80-A84 PolarHBondContact O-N 2.66Å; H80-D227 IonicContact CD2-OD1 2.83Å; H80-D227 IonicContact CE1-OD1 3.35Å; H80-D227 IonicContact NE2-OD1 3.92Å; H80-D227 PolarHBondContact NE2-OD1 3.32Å; H80-F230 HydrophobicContact CB-CD2 3.91Å; H80-F230 HydrophobicContact CB-CE2 3.79Å; H80-F230 HydrophobicContact CB-CG 4.39Å; H80-F230 HydrophobicContact CB-CZ 4.18Å; H80-F230 AromaticContact CG-CD2 3.86Å; H80-F230 AromaticContact CG-CG 3.92Å; H80-F230 AromaticContact ND1-CD2 3.8Å; H80-F230 AromaticContact ND1-CG 3.86Å; H80-F230 VanDerWaalsContact O-CZ 3.24Å; H80-F230 WeakPolarHBondContact O-CZ 3.17Å
81E98.4Very high97.2Very high136 Ų13645.1 Ų45.164%0.63623%0.229SC*.Hα-helixtrans-64.6-44.4177.4-57.674-159.400111.4T79 H83 A84 E85T79-E81 WeakPolarHBondContact CB-OE2 3.36Å; T79-E81 PolarHBondContact O-N 3.31Å; T79-E81 PolarHBondContact OG1-N 3.26Å; T79-E81 PolarHBondContact OG1-OE2 2.99Å; E81-H83 VanDerWaalsContact C-N 3.34Å; E81-H83 PolarHBondContact O-N 3.21Å; E81-A84 PolarHBondContact O-N 3.12Å; E81-E85 PolarHBondContact O-N 3.34Å
82Y98.1Very high97.2Very high58 Ų5849.6 Ų49.623%0.22725%0.25CC..Hα-helixtrans-59.9-44.8176.4177.2-89.1000111.6R55 T79 T86R55-Y82 PolarHBondContact NH2-O 2.86Å; T79-Y82 PolarHBondContact O-N 2.87Å; T79-Y82 PolarHBondContact OG1-N 2.94Å; Y82-T86 WeakPolarHBondContact O-CB 3.21Å; Y82-T86 PolarHBondContact O-N 3.11Å; Y82-T86 PolarHBondContact O-OG1 2.86Å
83H98.6Very high97.1Very high5 Ų548.8 Ų48.82%0.02325%0.246CC..Hα-helixtrans-72.1-36.1179.1-70.8-50.3000112.2N74 F75 H77 T79 H80 E81 T86 I87 F230N74-H83 PolarHBondContact O-CE1 3.24Å; N74-H83 PolarHBondContact O-NE2 2.71Å; F75-H83 AromaticContact CD2-CD2 3.92Å; F75-H83 AromaticContact CD2-NE2 3.91Å; F75-H83 AromaticContact CE1-CD2 3.93Å; F75-H83 HydrophobicContact CE2-CB 4.21Å; F75-H83 AromaticContact CE2-CD2 3.76Å; F75-H83 AromaticContact CE2-CG 3.82Å; F75-H83 HydrophobicContact CZ-CB 3.94Å; F75-H83 AromaticContact CZ-CD2 3.79Å; F75-H83 AromaticContact CZ-CG 3.92Å; H77-H83 PolarHBondContact O-NE2 2.84Å; T79-H83 PolarHBondContact O-CD2 2.91Å; T79-H83 VanDerWaalsContact O-CD2 3.24Å; T79-H83 PolarHBondContact O-N 3.26Å; H80-H83 PolarHBondContact O-N 2.9Å; E81-H83 VanDerWaalsContact C-N 3.34Å; E81-H83 PolarHBondContact O-N 3.21Å; H83-T86 PolarHBondContact O-N 3.28Å; H83-I87 VanDerWaalsContact O-CG1 3.25Å; H83-I87 WeakPolarHBondContact O-CG1 3.16Å; H83-I87 PolarHBondContact O-N 2.91Å; H83-F230 HydrophobicContact CB-CE1 4.14Å; H83-F230 HydrophobicContact CB-CZ 4.43Å
84A98.8Very high97.1Very high25 Ų2549 Ų4921%0.20725%0.248CC..Hα-helixtrans-61.2-45.4174.400000111.6H80 E81 T86 I87 K88 F230H80-A84 VanDerWaalsContact O-CB 3.26Å; H80-A84 WeakPolarHBondContact O-CB 3.41Å; H80-A84 PolarHBondContact O-N 2.66Å; E81-A84 PolarHBondContact O-N 3.12Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.35Å; A84-I87 PolarHBondContact O-N 2.71Å; A84-K88 WeakPolarHBondContact O-CB 3.15Å; A84-K88 PolarHBondContact O-N 3.19Å; A84-F230 HydrophobicContact CB-CE2 4.2Å; A84-F230 HydrophobicContact CB-CZ 3.89Å
85E98.7Very high97Very high94 Ų9452.9 Ų52.944%0.43927%0.265SS..Hα-helixtrans-61.5-41.6174.3-172.2-170.3176.700111R55 E81 K88 N89R55-E85 IonicContact CZ-OE2 2.76Å; R55-E85 IonicContact NH1-OE2 3.79Å; R55-E85 PolarHBondContact NH1-OE2 3.18Å; R55-E85 IonicContact NH2-OE1 3.05Å; R55-E85 IonicContact NH2-OE2 3.84Å; R55-E85 PolarHBondContact NH2-OE2 2.82Å; E81-E85 PolarHBondContact O-N 3.34Å; E85-K88 WeakPolarHBondContact O-CB 3.44Å; E85-K88 PolarHBondContact O-N 3.15Å; E85-N89 VanDerWaalsContact O-CG 3.24Å; E85-N89 PolarHBondContact O-N 2.91Å; E85-N89 PolarHBondContact O-OD1 2.97Å
86T98.8Very high97Very high0 Ų055.4 Ų55.40%028%0.283CS..Hα-helixtrans-65.4-42.2179.1-56.20000111.5I50 R55 L73 Y82 H83 A84 K88 N89 V90I50-T86 HydrophobicContact CB-CG2 4Å; I50-T86 HydrophobicContact CG2-CG2 3.48Å; I50-T86 VanDerWaalsContact CG2-CG2 3.48Å; R55-T86 HydrophobicContact CB-CG2 4.43Å; R55-T86 PolarHBondContact NH2-OG1 2.93Å; L73-T86 HydrophobicContact CD2-CG2 3.51Å; Y82-T86 WeakPolarHBondContact O-CB 3.21Å; Y82-T86 PolarHBondContact O-N 3.11Å; Y82-T86 PolarHBondContact O-OG1 2.86Å; H83-T86 PolarHBondContact O-N 3.28Å; A84-T86 VanDerWaalsContact C-N 3.31Å; A84-T86 PolarHBondContact O-N 3.35Å; T86-K88 VanDerWaalsContact C-N 3.33Å; T86-K88 PolarHBondContact O-N 2.95Å; T86-N89 PolarHBondContact O-N 2.96Å; T86-V90 WeakPolarHBondContact O-CG2 3.27Å; T86-V90 PolarHBondContact O-N 2.88Å
87I98.9Very high97.3Very high1 Ų156.5 Ų56.51%0.00529%0.286CS..Hα-helixtrans-60.4-44.4174.2-69.6167.5000110.6L73 H83 A84 N89 V90 R91 V109 F230 Q234 V236L73-I87 HydrophobicContact CD1-CD1 3.68Å; L73-I87 HydrophobicContact CD1-CG1 3.38Å; H83-I87 VanDerWaalsContact O-CG1 3.25Å; H83-I87 WeakPolarHBondContact O-CG1 3.16Å; H83-I87 PolarHBondContact O-N 2.91Å; A84-I87 PolarHBondContact O-N 2.71Å; I87-N89 PolarHBondContact O-N 2.81Å; I87-V90 PolarHBondContact O-N 2.85Å; I87-R91 WeakPolarHBondContact O-CG 3.39Å; I87-R91 PolarHBondContact O-N 2.95Å; I87-V109 HydrophobicContact CG1-CG1 4.15Å; I87-F230 HydrophobicContact CD1-CE1 4.35Å; I87-Q234 HydrophobicContact CD1-CB 3.75Å; I87-Q234 HydrophobicContact CD1-CG 3.84Å; I87-V236 HydrophobicContact CD1-CG1 4.41Å
88K98.8Very high97.5Very high137 Ų13757.7 Ų57.760%0.59629%0.292SS*.Hα-helixtrans-58.2-48.5175.9-178.9-173.9171.9-168.90111A84 E85 T86 V90 R91 E92A84-K88 WeakPolarHBondContact O-CB 3.15Å; A84-K88 PolarHBondContact O-N 3.19Å; E85-K88 WeakPolarHBondContact O-CB 3.44Å; E85-K88 PolarHBondContact O-N 3.15Å; T86-K88 VanDerWaalsContact C-N 3.33Å; T86-K88 PolarHBondContact O-N 2.95Å; K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.41Å; K88-R91 PolarHBondContact O-N 3.41Å; K88-E92 WeakPolarHBondContact O-CB 3.5Å; K88-E92 PolarHBondContact O-N 2.97Å
89N98.8Very high97.6Very high21 Ų2158.5 Ų58.511%0.11229%0.288CS..Hα-helixtrans-63.7-39-179.5-66.4-4.4000112.3R55 V57 L60 E85 T86 I87 E92 A93R55-N89 WeakPolarHBondContact O-CB 3.28Å; R55-N89 PolarHBondContact O-ND2 3.15Å; V57-N89 HydrophobicContact CG2-CB 3.85Å; L60-N89 HydrophobicContact CD1-CB 3.77Å; E85-N89 VanDerWaalsContact O-CG 3.24Å; E85-N89 PolarHBondContact O-N 2.91Å; E85-N89 PolarHBondContact O-OD1 2.97Å; T86-N89 PolarHBondContact O-N 2.96Å; I87-N89 PolarHBondContact O-N 2.81Å; N89-E92 PolarHBondContact O-N 3.38Å; N89-A93 VanDerWaalsContact O-CB 3.32Å; N89-A93 WeakPolarHBondContact O-CB 3.26Å; N89-A93 PolarHBondContact O-N 3.4Å
90V98.8Very high97.2Very high3 Ų355.3 Ų55.32%0.01827%0.271CS..Hα-helixtrans-61.8-44.3175170.40000111L60 A71 T86 I87 K88 C94 I107 V109L60-V90 HydrophobicContact CD1-CG2 3.93Å; L60-V90 HydrophobicContact CD2-CG2 3.96Å; A71-V90 HydrophobicContact CB-CG1 3.97Å; A71-V90 HydrophobicContact CB-CG2 3.91Å; T86-V90 WeakPolarHBondContact O-CG2 3.27Å; T86-V90 PolarHBondContact O-N 2.88Å; I87-V90 PolarHBondContact O-N 2.85Å; K88-V90 VanDerWaalsContact C-N 3.35Å; K88-V90 PolarHBondContact O-N 3.41Å; V90-C94 WeakPolarHBondContact O-CB 3.11Å; V90-C94 PolarHBondContact O-N 2.82Å; V90-I107 HydrophobicContact CG1-CG2 3.93Å; V90-V109 HydrophobicContact CG1-CG2 4.21Å
91R98.6Very high96.9Very high89 Ų8954 Ų5434%0.33627%0.269SS..Hα-helixtrans-64.6-47.3177.2-72.8175.4172.7161.10.5111.7I87 K88 A93 C94 E95 Q234 G235I87-R91 WeakPolarHBondContact O-CG 3.39Å; I87-R91 PolarHBondContact O-N 2.95Å; K88-R91 PolarHBondContact O-N 3.41Å; R91-A93 PolarHBondContact O-N 2.71Å; R91-C94 PolarHBondContact O-N 3.29Å; R91-E95 WeakPolarHBondContact O-CB 3.49Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.27Å; R91-Q234 VanDerWaalsContact CZ-O 3.27Å; R91-Q234 PolarHBondContact NH1-O 2.66Å; R91-Q234 PolarHBondContact NH2-O 2.89Å; R91-G235 PolarHBondContact NH2-O 3.15Å
92E98.6Very high96.5Very high96 Ų9650.1 Ų50.145%0.44925%0.252SS..Hα-helixtrans-59.3-44.6177.6-173.6179.1149.700111.9V57 K88 N89 C94 E95 S96V57-E92 HydrophobicContact CG1-CG 4.22Å; V57-E92 HydrophobicContact CG2-CB 4.37Å; V57-E92 HydrophobicContact CG2-CG 4.38Å; K88-E92 WeakPolarHBondContact O-CB 3.5Å; K88-E92 PolarHBondContact O-N 2.97Å; N89-E92 PolarHBondContact O-N 3.38Å; E92-C94 PolarHBondContact O-N 3.45Å; E92-E95 PolarHBondContact O-N 2.97Å; E92-S96 PolarHBondContact O-N 2.68Å; E92-S96 VanDerWaalsContact O-N 3.1Å
93A98.5Very high96.1Very high0 Ų052.9 Ų52.90%027%0.266CS..Hα-helixtrans-61.7-43.5175.400000112.1V57 L60 K61 I64 N89 R91 S96 F97V57-A93 HydrophobicContact CG1-CB 4.2Å; L60-A93 HydrophobicContact CB-CB 3.53Å; K61-A93 HydrophobicContact CG-CB 3.96Å; I64-A93 HydrophobicContact CD1-CB 4.09Å; N89-A93 VanDerWaalsContact O-CB 3.32Å; N89-A93 WeakPolarHBondContact O-CB 3.26Å; N89-A93 PolarHBondContact O-N 3.4Å; R91-A93 PolarHBondContact O-N 2.71Å; A93-S96 PolarHBondContact O-OG 2.94Å; A93-F97 VanDerWaalsContact O-CD2 3.27Å; A93-F97 WeakPolarHBondContact O-CD2 3.48Å; A93-F97 WeakPolarHBondContact O-CE2 3.33Å
94C97.5Very high96Very high7 Ų753.8 Ų53.85%0.04727%0.269CS..Hα-helixtrans-66.8-44.6178.4-177.60000112.4I64 V90 R91 E92 S96 F97 Y104 R105 I107I64-C94 HydrophobicContact CD1-CB 4.23Å; V90-C94 WeakPolarHBondContact O-CB 3.11Å; V90-C94 PolarHBondContact O-N 2.82Å; R91-C94 PolarHBondContact O-N 3.29Å; E92-C94 PolarHBondContact O-N 3.45Å; C94-S96 PolarHBondContact O-N 3.21Å; C94-F97 PolarHBondContact O-N 2.84Å; C94-Y104 WeakPolarHBondContact O-CE2 3.33Å; C94-Y104 VanDerWaalsContact SG-CE2 3.59Å; C94-Y104 PolarHBondContact SG-OH 3.49Å; C94-Y104 VanDerWaalsContact SG-OH 3.33Å; C94-R105 PolarHBondContact SG-O 3.07Å; C94-I107 HydrophobicContact CB-CB 4.43Å; C94-I107 HydrophobicContact CB-CG1 4.18Å
95E96Very high95.9Very high117 Ų11756.8 Ų56.855%0.54728%0.275SS..Hα-helixtrans-68.2-22.6-179.2-72.7172.7-175.300112.7R91 E92 F97 E98 P99R91-E95 WeakPolarHBondContact O-CB 3.49Å; R91-E95 WeakPolarHBondContact O-CG 3.49Å; R91-E95 PolarHBondContact O-N 3.27Å; E92-E95 PolarHBondContact O-N 2.97Å; E95-F97 PolarHBondContact O-N 2.81Å; E95-F97 VanDerWaalsContact O-N 3.08Å; E95-E98 PolarHBondContact O-N 3.34Å; E95-P99 HydrophobicContact CG-CG 4.25Å
96S96.9Very high95.8Very high57 Ų5752.4 Ų52.440%0.39926%0.255SS..THydrogen-bonded Turntrans-62.3-13.5172.878.80000114.6K61 E92 A93 C94K61-S96 VanDerWaalsContact CE-OG 3.24Å; K61-S96 WeakPolarHBondContact CE-OG 3.47Å; E92-S96 PolarHBondContact O-N 2.68Å; E92-S96 VanDerWaalsContact O-N 3.1Å; A93-S96 PolarHBondContact O-OG 2.94Å; C94-S96 PolarHBondContact O-N 3.21Å
97F95Very high95.8Very high42 Ų4252.7 Ų52.718%0.18426%0.257CS..THydrogen-bonded Turntrans-94.412.6172.4-60.6-83.7000113.6K61 I64 K65 A93 C94 E95 S101 Y104K61-F97 HydrophobicContact CB-CE2 4.44Å; K61-F97 HydrophobicContact CB-CZ 4.31Å; K61-F97 HydrophobicContact CG-CE2 4.31Å; I64-F97 HydrophobicContact CB-CE2 4.12Å; I64-F97 HydrophobicContact CD1-CE2 4.11Å; I64-F97 HydrophobicContact CG2-CD2 4.26Å; I64-F97 HydrophobicContact CG2-CE2 3.81Å; I64-F97 HydrophobicContact CG2-CZ 4.25Å; K65-F97 HydrophobicContact CD-CZ 4.47Å; K65-F97 HydrophobicContact CG-CE1 4.06Å; K65-F97 HydrophobicContact CG-CZ 3.92Å; A93-F97 VanDerWaalsContact O-CD2 3.27Å; A93-F97 WeakPolarHBondContact O-CD2 3.48Å; A93-F97 WeakPolarHBondContact O-CE2 3.33Å; C94-F97 PolarHBondContact O-N 2.84Å; E95-F97 PolarHBondContact O-N 2.81Å; E95-F97 VanDerWaalsContact O-N 3.08Å; F97-S101 PolarHBondContact O-OG 2.94Å; F97-Y104 HydrophobicContact CB-CD2 4.37Å
98E94.3Very high95.8Very high139 Ų13952.6 Ų52.665%0.6526%0.256SS*.  trans58.5101.9177.6-62.4-179.6-178.600114.4E95 G100 S101 Y104E95-E98 PolarHBondContact O-N 3.34Å; E98-G100 PolarHBondContact O-N 2.9Å; E98-S101 VanDerWaalsContact O-CB 3.25Å; E98-S101 WeakPolarHBondContact O-CB 3.46Å; E98-S101 PolarHBondContact O-N 2.84Å; E98-S101 PolarHBondContact O-OG 3.42Å; E98-S101 VanDerWaalsContact O-OG 3.1Å; E98-Y104 WeakPolarHBondContact O-CB 3.48Å
99P92.5Very high95.8Very high64 Ų6446.3 Ų46.342%0.41623%0.229SC..THydrogen-bonded Turntrans-53.3125.6178.9-27.835.8000113.7E95 S101 Y104E95-P99 HydrophobicContact CG-CG 4.25Å; P99-S101 VanDerWaalsContact C-N 3.35Å; P99-Y104 HydrophobicContact CB-CD2 4.45Å; P99-Y104 HydrophobicContact CB-CE2 4.18Å; P99-Y104 HydrophobicContact CG-CD2 4.44Å; P99-Y104 HydrophobicContact CG-CE2 3.96Å
100G87.4Confident95.8Very high13 Ų1345.3 Ų45.313%0.13422%0.224CC..THydrogen-bonded Turntrans85.22.4-178.200000115.1E98 L472 F491E98-G100 PolarHBondContact O-N 2.9Å; G100-L472 WeakPolarHBondContact CA-O 3.41Å; G100-F491 WeakPolarHBondContact O-CZ 3.42Å
101S93.2Very high95.8Very high31 Ų3145.1 Ų45.122%0.21722%0.223CC..SBendtrans-72.7160.3165.883.20000111.2F97 E98 P99 H103 Y104F97-S101 PolarHBondContact O-OG 2.94Å; E98-S101 VanDerWaalsContact O-CB 3.25Å; E98-S101 WeakPolarHBondContact O-CB 3.46Å; E98-S101 PolarHBondContact O-N 2.84Å; E98-S101 PolarHBondContact O-OG 3.42Å; E98-S101 VanDerWaalsContact O-OG 3.1Å; P99-S101 VanDerWaalsContact C-N 3.35Å; S101-H103 PolarHBondContact O-N 2.74Å; S101-H103 PolarHBondContact OG-N 3.17Å; S101-Y104 WeakPolarHBondContact O-CB 3.45Å; S101-Y104 PolarHBondContact O-N 3.36Å; S101-Y104 PolarHBondContact OG-N 3.04Å
102I90.8Very high95.8Very high54 Ų5440.9 Ų40.928%0.27721%0.207SC..THydrogen-bonded Turntrans-61.9-24.1174.555.1170.1000113F491 A498 R499I102-F491 HydrophobicContact CG2-CE2 4.14Å; I102-A498 HydrophobicContact CD1-CB 3.9Å; I102-R499 PolarHBondContact O-NE 3.25Å; I102-R499 PolarHBondContact O-NH2 3.39Å
103H88.9Confident95.8Very high115 Ų11536.6 Ų36.653%0.53219%0.187SC..THydrogen-bonded Turntrans-92.7-14-179.1-59.4-55.2000113.1S101 R105 R499S101-H103 PolarHBondContact O-N 2.74Å; S101-H103 PolarHBondContact OG-N 3.17Å; H103-R105 PolarHBondContact O-N 3.06Å; H103-R499 PolarHBondContact O-NH2 3.49Å
104Y95.9Very high95.4Very high24 Ų2438.8 Ų38.89%0.09420%0.197CC..  trans-58.5134.8-179.5-175.1-108.7000112.2C94 F97 E98 P99 S101 P106 L472 R499C94-Y104 WeakPolarHBondContact O-CE2 3.33Å; C94-Y104 VanDerWaalsContact SG-CE2 3.59Å; C94-Y104 PolarHBondContact SG-OH 3.49Å; C94-Y104 VanDerWaalsContact SG-OH 3.33Å; F97-Y104 HydrophobicContact CB-CD2 4.37Å; E98-Y104 WeakPolarHBondContact O-CB 3.48Å; P99-Y104 HydrophobicContact CB-CD2 4.45Å; P99-Y104 HydrophobicContact CB-CE2 4.18Å; P99-Y104 HydrophobicContact CG-CD2 4.44Å; P99-Y104 HydrophobicContact CG-CE2 3.96Å; S101-Y104 WeakPolarHBondContact O-CB 3.45Å; S101-Y104 PolarHBondContact O-N 3.36Å; S101-Y104 PolarHBondContact OG-N 3.04Å; Y104-P106 HydrophobicContact CD1-CG 4.18Å; Y104-P106 HydrophobicContact CE1-CB 4.29Å; Y104-P106 HydrophobicContact CE1-CG 3.84Å; Y104-L472 HydrophobicContact CD1-CB 4.15Å; Y104-L472 HydrophobicContact CD1-CD2 4.29Å; Y104-L472 HydrophobicContact CE1-CB 4.13Å; Y104-L472 HydrophobicContact CE1-CD2 3.68Å; Y104-R499 PolarHBondContact O-NH2 2.91Å
105R96.1Very high95Very high88 Ų8838.7 Ų38.733%0.33220%0.197SC..  trans-122.3109.9175.1-65.1176.9-172.4-177.20107.2I64 K65 C94 H103 I107I64-R105 HydrophobicContact CG2-CB 4.17Å; I64-R105 PolarHBondContact O-NH1 2.93Å; K65-R105 PolarHBondContact O-NH1 2.75Å; C94-R105 PolarHBondContact SG-O 3.07Å; H103-R105 PolarHBondContact O-N 3.06Å; R105-I107 PolarHBondContact O-N 3.01Å
106P97.9Very high94.6Very high3 Ų333.8 Ų33.82%0.01918%0.175CC..  trans-54.7138.8170.2-22.332.7000109.7Y104 A459 R460 H463 P470Y104-P106 HydrophobicContact CD1-CG 4.18Å; Y104-P106 HydrophobicContact CE1-CB 4.29Å; Y104-P106 HydrophobicContact CE1-CG 3.84Å; P106-A459 HydrophobicContact CB-CB 4.06Å; P106-A459 HydrophobicContact CG-CB 3.86Å; P106-R460 HydrophobicContact CB-CG 4.05Å; P106-H463 PolarHBondContact O-CD2 3.43Å; P106-H463 PolarHBondContact O-NE2 2.88Å; P106-P470 HydrophobicContact CB-CG 4.33Å; P106-P470 HydrophobicContact CG-CB 4.15Å; P106-P470 HydrophobicContact CG-CG 3.99Å
107I98.6Very high94.1Very high5 Ų532.7 Ų32.73%0.02616%0.164CC..  trans-123.1118.6175.8-60.2-63000108.7I64 M68 N69 A71 V90 C94 R105 R460I64-I107 HydrophobicContact CB-CD1 4.46Å; I64-I107 HydrophobicContact CD1-CD1 4.37Å; I64-I107 HydrophobicContact CD1-CG1 3.87Å; I64-I107 HydrophobicContact CG1-CD1 3.78Å; I64-I107 HydrophobicContact CG1-CG1 3.84Å; I64-I107 HydrophobicContact CG2-CD1 4.17Å; M68-I107 HydrophobicContact CE-CG2 4.29Å; M68-I107 WeakPolarHBondContact O-CD1 3.49Å; N69-I107 WeakPolarHBondContact O-CA 3.5Å; A71-I107 HydrophobicContact CB-CG2 4.42Å; V90-I107 HydrophobicContact CG1-CG2 3.93Å; C94-I107 HydrophobicContact CB-CB 4.43Å; C94-I107 HydrophobicContact CB-CG1 4.18Å; R105-I107 PolarHBondContact O-N 3.01Å; I107-R460 WeakPolarHBondContact O-CD 3.42Å; I107-R460 WeakPolarHBondContact O-CG 3.45Å
108G98.8Very high93.9Very high0 Ų031 Ų310%016%0.157CC..EExtended strand (participates in β ladder)trans-73.2148.6175.200000112.2N69 I70 A71 D237N69-G108 PolarHBondContact O-N 2.72Å; I70-G108 CarbonylContact C-O 3.44Å; I70-G108 VanDerWaalsContact CA-O 3.3Å; I70-G108 WeakPolarHBondContact CA-O 3.34Å; A71-G108 PolarHBondContact N-O 2.66Å; G108-D237 WeakPolarHBondContact CA-OD2 3.23Å
109V98.9Very high93.8Very high4 Ų426.8 Ų26.82%0.02414%0.135CC..EExtended strand (participates in β ladder)trans-113.6123.3172-178.60000109.2L73 I87 V90 V236 D237 M238L73-V109 HydrophobicContact CD1-CG1 3.81Å; L73-V109 HydrophobicContact CG-CG1 4.46Å; I87-V109 HydrophobicContact CG1-CG1 4.15Å; V90-V109 HydrophobicContact CG1-CG2 4.21Å; V109-V236 HydrophobicContact CG1-CB 4.46Å; V109-V236 HydrophobicContact CG1-CG1 4.04Å; V109-D237 PolarHBondContact N-OD2 3.07Å; V109-D237 PolarHBondContact O-N 3.22Å; V109-M238 PolarHBondContact O-N 3.32Å
110A98.9Very high93.9Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-112125.9179.100000111.2I70 A71 L73 M238 F240I70-A110 HydrophobicContact CG2-CB 3.81Å; A71-A110 PolarHBondContact O-N 3.12Å; L73-A110 PolarHBondContact N-O 3.27Å; A110-M238 WeakPolarHBondContact CA-O 3.23Å; A110-M238 HydrophobicContact CB-CG 3.47Å; A110-M238 VanDerWaalsContact CB-CG 3.47Å; A110-M238 HydrophobicContact CB-SD 4.07Å; A110-F240 HydrophobicContact CB-CD1 4.21Å; A110-F240 HydrophobicContact CB-CD2 4.01Å; A110-F240 HydrophobicContact CB-CE1 3.72Å; A110-F240 HydrophobicContact CB-CE2 3.46Å; A110-F240 VanDerWaalsContact CB-CE2 3.46Å; A110-F240 HydrophobicContact CB-CG 4.38Å; A110-F240 HydrophobicContact CB-CZ 3.31Å
111L98.8Very high94.2Very high0 Ų023.3 Ų23.30%011%0.11CC..EExtended strand (participates in β ladder)trans-90.1117.2169.5-177154.2000108.9F75 T113 D227 L228 V236 M238 V239 F240F75-L111 HydrophobicContact CD1-CD1 4.46Å; F75-L111 HydrophobicContact CD2-CD1 4.34Å; F75-L111 HydrophobicContact CD2-CD2 4.39Å; F75-L111 HydrophobicContact CD2-CG 3.79Å; F75-L111 HydrophobicContact CE1-CD1 3.9Å; F75-L111 HydrophobicContact CE1-CG 4.38Å; F75-L111 HydrophobicContact CE2-CB 4.38Å; F75-L111 HydrophobicContact CE2-CD1 3.8Å; F75-L111 HydrophobicContact CE2-CG 3.57Å; F75-L111 HydrophobicContact CG-CG 4.3Å; F75-L111 HydrophobicContact CZ-CD1 3.53Å; F75-L111 HydrophobicContact CZ-CG 3.87Å; L111-T113 HydrophobicContact CD2-CG2 3.77Å; L111-D227 VanDerWaalsContact CD1-O 3.25Å; L111-D227 WeakPolarHBondContact CD1-O 3.26Å; L111-L228 HydrophobicContact CD2-CD2 4.36Å; L111-V236 HydrophobicContact CB-CG1 4.41Å; L111-V236 HydrophobicContact CB-CG2 4.31Å; L111-M238 PolarHBondContact N-O 2.95Å; L111-V239 CarbonylContact O-C 3.57Å; L111-V239 VanDerWaalsContact O-CA 3.28Å; L111-V239 WeakPolarHBondContact O-CA 3.48Å; L111-F240 PolarHBondContact O-N 3.34Å
112D98.6Very high94.2Very high0 Ų023.7 Ų23.70%011%0.11CC..EExtended strand (participates in β ladder)trans-99.5113.7173.2-167.6-46.1000109.4R72 L73 F75 F240 S242 K269R72-D112 HydrophobicContact CG-CB 4.19Å; R72-D112 IonicContact CZ-OD2 3.32Å; R72-D112 IonicContact NE-OD2 2.75Å; R72-D112 PolarHBondContact NE-OD2 3.4Å; R72-D112 VanDerWaalsContact NH2-CG 3.28Å; R72-D112 IonicContact NH2-OD1 3.81Å; R72-D112 IonicContact NH2-OD2 2.71Å; R72-D112 PolarHBondContact NH2-OD2 3.24Å; L73-D112 WeakPolarHBondContact O-CB 3.37Å; L73-D112 PolarHBondContact O-N 2.8Å; F75-D112 VanDerWaalsContact CB-O 3.32Å; F75-D112 WeakPolarHBondContact CB-O 2.84Å; F75-D112 PolarHBondContact N-O 2.89Å; D112-F240 WeakPolarHBondContact CA-O 3.2Å; D112-F240 HydrophobicContact CB-CB 4.05Å; D112-F240 HydrophobicContact CB-CD2 4.24Å; D112-S242 PolarHBondContact OD1-OG 2.95Å; D112-K269 IonicContact OD1-NZ 3.69Å; D112-K269 PolarHBondContact OD1-NZ 3.14Å; D112-K269 IonicContact OD2-NZ 2.71Å; D112-K269 PolarHBondContact OD2-NZ 3.13Å
113T97.3Very high94.3Very high6 Ų621.3 Ų21.34%0.03710%0.097CC..  trans-67.8151.2-174.454.30000111.2L111 L228 V239 F240 A241 S242L111-T113 HydrophobicContact CD2-CG2 3.77Å; T113-L228 HydrophobicContact CG2-CD2 3.99Å; T113-L228 HydrophobicContact CG2-CG 4.45Å; T113-V239 HydrophobicContact CG2-CG1 3.96Å; T113-F240 PolarHBondContact N-O 3.38Å; T113-F240 PolarHBondContact OG1-O 3.08Å; T113-A241 WeakPolarHBondContact OG1-CA 3.28Å; T113-S242 PolarHBondContact O-OG 2.97Å; T113-S242 PolarHBondContact OG1-N 3.41Å; T113-S242 PolarHBondContact OG1-OG 3.34Å
114K91.3Very high94.2Very high46 Ų4622.4 Ų22.420%0.210%0.101CC..  trans-63.6-48.7168.5-179.8179.6168.4173.90110.4E117K114-E117 WeakPolarHBondContact CE-OE2 3.31Å; K114-E117 HydrophobicContact CG-CG 4.33Å
115G88.9Confident93.5Very high5 Ų524.7 Ų24.75%0.05213%0.131CC..  trans68.1-168.5-175.900000113.4E117 D224G115-E117 PolarHBondContact O-N 3.46Å; G115-D224 PolarHBondContact N-OD1 3.19Å
116P87.4Confident92.2Very high14 Ų1423.7 Ų23.79%0.09114%0.138CC..SBendtrans-77.449.7-175.333.4-38.4000113.4L217 F243P116-L217 HydrophobicContact CB-CB 3.48Å; P116-L217 VanDerWaalsContact CB-CB 3.48Å; P116-L217 HydrophobicContact CB-CD1 3.98Å; P116-L217 HydrophobicContact CB-CG 4.37Å; P116-L217 WeakPolarHBondContact O-CD1 3.45Å; P116-F243 HydrophobicContact CG-CB 3.63Å; P116-F243 HydrophobicContact CG-CD2 4.29Å; P116-F243 HydrophobicContact CG-CG 4.16Å
117E85.6Confident90.8Very high33 Ų3325.9 Ų25.915%0.15416%0.161CC..  trans-66.6137.7172.6-72.2178.5176.700111.1S76 K114 G115 R119 F243S76-E117 WeakPolarHBondContact CB-OE1 3.22Å; S76-E117 PolarHBondContact OG-OE1 3.01Å; K114-E117 WeakPolarHBondContact CE-OE2 3.31Å; K114-E117 HydrophobicContact CG-CG 4.33Å; G115-E117 PolarHBondContact O-N 3.46Å; E117-R119 IonicContact OE1-NH2 3.08Å; E117-R119 PolarHBondContact OE1-NH2 2.76Å; E117-R119 IonicContact OE2-CZ 2.78Å; E117-R119 IonicContact OE2-NE 2.7Å; E117-R119 PolarHBondContact OE2-NE 3.05Å; E117-R119 IonicContact OE2-NH2 3.44Å; E117-R119 PolarHBondContact OE2-NH2 2.88Å; E117-F243 HydrophobicContact CG-CE2 3.77Å; E117-F243 HydrophobicContact CG-CZ 4.37Å
118I91.4Very high89.9Confident8 Ų831.3 Ų31.34%0.04120%0.195CC..EExtended strand (participates in β ladder)trans-94.3134.1167.7-52.2172.9000107.8L158 D159 Y160 G207 V208 L210 V215 L217I118-L158 HydrophobicContact CG2-CB 4.47Å; I118-D159 WeakPolarHBondContact CA-OD1 3.47Å; I118-Y160 HydrophobicContact CD1-CD1 3.59Å; I118-Y160 HydrophobicContact CD1-CE1 4.25Å; I118-Y160 HydrophobicContact CD1-CG 3.91Å; I118-Y160 HydrophobicContact CG1-CD1 4.38Å; I118-Y160 HydrophobicContact CG1-CG 4.2Å; I118-G207 CarbonylContact O-C 3.58Å; I118-G207 WeakPolarHBondContact O-CA 3.41Å; I118-V208 HydrophobicContact CB-CB 3.96Å; I118-V208 HydrophobicContact CG2-CB 3.77Å; I118-V208 HydrophobicContact CG2-CG1 4.27Å; I118-V208 HydrophobicContact CG2-CG2 4.27Å; I118-V208 PolarHBondContact O-N 3.48Å; I118-L210 HydrophobicContact CD1-CD1 3.58Å; I118-L210 HydrophobicContact CD1-CG 4.12Å; I118-V215 HydrophobicContact CD1-CG1 4.43Å; I118-L217 HydrophobicContact CG1-CD1 3.91Å
119R92.5Very high89.2Confident49 Ų4932.6 Ų32.619%0.18521%0.206CC..EExtended strand (participates in β ladder)trans-130147.8-177.1-65.1-77.4-175.5172.4-10.4112E117 L158 D159 K205 K206E117-R119 IonicContact OE1-NH2 3.08Å; E117-R119 PolarHBondContact OE1-NH2 2.76Å; E117-R119 IonicContact OE2-CZ 2.78Å; E117-R119 IonicContact OE2-NE 2.7Å; E117-R119 PolarHBondContact OE2-NE 3.05Å; E117-R119 IonicContact OE2-NH2 3.44Å; E117-R119 PolarHBondContact OE2-NH2 2.88Å; R119-L158 WeakPolarHBondContact O-CA 3.25Å; R119-D159 PolarHBondContact N-OD1 2.64Å; R119-D159 PolarHBondContact N-OD2 3.34Å; R119-D159 PolarHBondContact O-N 2.86Å; R119-D159 VanDerWaalsContact O-N 3.13Å; R119-K205 WeakPolarHBondContact CD-O 3.33Å; R119-K205 PolarHBondContact NH1-O 3.38Å; R119-K206 CarbonylContact C-O 3.58Å; R119-K206 VanDerWaalsContact CA-O 3.3Å; R119-K206 WeakPolarHBondContact CA-O 3.47Å
120T94.8Very high88.8Confident2 Ų238.7 Ų38.71%0.01223%0.234CC..BIsolated β-bridgetrans-77.3167.8169.965.80000112.5L156 W157 I175 K205 K206 V208T120-L156 HydrophobicContact CG2-CD1 3.89Å; T120-L156 HydrophobicContact CG2-CD2 3.99Å; T120-L156 HydrophobicContact CG2-CG 4.19Å; T120-W157 CarbonylContact C-O 3.54Å; T120-W157 WeakPolarHBondContact CA-O 3.5Å; T120-I175 HydrophobicContact CG2-CG2 4.01Å; T120-K205 WeakPolarHBondContact O-CA 3.39Å; T120-K205 PolarHBondContact OG1-N 3.35Å; T120-K206 PolarHBondContact N-O 3.07Å; T120-K206 PolarHBondContact OG1-N 2.8Å; T120-V208 HydrophobicContact CG2-CG2 3.68Å
121G93.1Very high88.6Confident2 Ų239.9 Ų39.92%0.02124%0.241CC..  trans-76.4-169.1176.200000114.5Q148 W157 K205G121-Q148 CarbonylContact C-O 3.18Å; G121-Q148 WeakPolarHBondContact CA-O 3.38Å; G121-W157 PolarHBondContact N-O 3.32Å; G121-K205 PolarHBondContact O-N 3.1Å
122L93.2Very high88.4Confident39 Ų3945.7 Ų45.720%0.20427%0.268CS..PPolyproline II helixtrans-84137.6167.1-56.5178.6000110.3Q148 D149 N150 C151 S204 K205L122-Q148 PolarHBondContact N-O 2.87Å; L122-D149 HydrophobicContact CB-CB 4.45Å; L122-D149 HydrophobicContact CD1-CB 4.38Å; L122-D149 WeakPolarHBondContact CD1-OD1 3.45Å; L122-D149 WeakPolarHBondContact CG-OD1 3.25Å; L122-D149 CarbonylContact O-C 3.52Å; L122-N150 PolarHBondContact O-N 2.81Å; L122-C151 VanDerWaalsContact O-CB 3.29Å; L122-C151 WeakPolarHBondContact O-CB 3.37Å; L122-C151 PolarHBondContact O-N 3.15Å; L122-S204 WeakPolarHBondContact CA-OG 3.46Å; L122-K205 HydrophobicContact CD2-CD 4.07Å; L122-K205 HydrophobicContact CD2-CG 4.08Å
123I93Very high88.3Confident4 Ų445.9 Ų45.92%0.02127%0.269CS..BIsolated β-bridgetrans-66.5137.1169.9-59.6-53.3000109.3G125 A129 V131 C151 L202 S204I123-G125 PolarHBondContact O-N 2.64Å; I123-A129 HydrophobicContact CB-CB 4.36Å; I123-A129 WeakPolarHBondContact CB-O 3.35Å; I123-A129 HydrophobicContact CG2-CB 3.88Å; I123-V131 HydrophobicContact CD1-CG2 3.84Å; I123-V131 HydrophobicContact CG2-CG1 3.63Å; I123-C151 WeakPolarHBondContact CA-O 3.29Å; I123-C151 HydrophobicContact CD1-CB 3.89Å; I123-L202 HydrophobicContact CD1-CD2 4.33Å; I123-L202 HydrophobicContact CD1-CG 4.32Å; I123-S204 PolarHBondContact N-OG 3.12Å
124K86.8Confident88.3Confident138 Ų13851 Ų5160%0.629%0.291SS*.SBendtrans-52.6128.5178.5-179.3180-170.3179.20111N150 C151K124-N150 WeakPolarHBondContact CD-OD1 3.34Å; K124-N150 WeakPolarHBondContact CG-OD1 3.44Å; K124-C151 WeakPolarHBondContact CB-O 3.43Å; K124-C151 PolarHBondContact N-O 3.17Å
125G81.8Confident88.6Confident72 Ų7256 Ų5674%0.74231%0.313SS*.SBendtrans117.1-127.7-179.300000111.3I123I123-G125 PolarHBondContact O-N 2.64Å
126S68Low89Confident67 Ų6757.7 Ų57.747%0.46933%0.329SS..SBendtrans-82151.9169.764.30000110.1T128 A129S126-T128 PolarHBondContact O-N 3.05Å; S126-T128 PolarHBondContact OG-OG1 2.87Å; S126-A129 VanDerWaalsContact O-CB 3.3Å; S126-A129 WeakPolarHBondContact O-CB 3.28Å; S126-A129 PolarHBondContact O-N 3.33Å
127G69.4Low89.5Confident49 Ų4961 Ų6151%0.50535%0.347SS..THydrogen-bonded Turntrans-62.63173.900000115.2
128T79.1Confident90.1Very high120 Ų12063.7 Ų63.774%0.73636%0.36SS*.THydrogen-bonded Turntrans-111.91.1174.963.80000112.8S126S126-T128 PolarHBondContact O-N 3.05Å; S126-T128 PolarHBondContact OG-OG1 2.87Å
129A85.1Confident90.4Very high27 Ų2763.3 Ų63.322%0.22336%0.358CS..  trans-69.2151.8176.200000110.5I123 S126I123-A129 HydrophobicContact CB-CB 4.36Å; I123-A129 WeakPolarHBondContact CB-O 3.35Å; I123-A129 HydrophobicContact CG2-CB 3.88Å; S126-A129 VanDerWaalsContact O-CB 3.3Å; S126-A129 WeakPolarHBondContact O-CB 3.28Å; S126-A129 PolarHBondContact O-N 3.33Å
130E90.9Very high90.6Very high131 Ų13164.2 Ų64.261%0.61236%0.363SS*.  trans-129.7149.7177.9-61.4-177.7156.200109T201 L202E130-T201 HydrophobicContact CB-CG2 3.59Å; E130-T201 HydrophobicContact CG-CG2 4.12Å; E130-T201 WeakPolarHBondContact OE2-CG2 3.48Å; E130-L202 VanDerWaalsContact CA-O 3.31Å; E130-L202 WeakPolarHBondContact CA-O 3.41Å
131V93.2Very high90.8Very high26 Ų2664.2 Ų64.216%0.15836%0.364CS..EExtended strand (participates in β ladder)trans-122.4145.9175.7-680000110.4I123 L133 D153 L202I123-V131 HydrophobicContact CD1-CG2 3.84Å; I123-V131 HydrophobicContact CG2-CG1 3.63Å; V131-L133 HydrophobicContact CG2-CD2 4.46Å; V131-D153 HydrophobicContact CB-CB 4.4Å; V131-L202 HydrophobicContact CG2-CB 4.03Å; V131-L202 HydrophobicContact CG2-CD2 4.41Å; V131-L202 PolarHBondContact N-O 3.28Å; V131-L202 PolarHBondContact O-N 3.05Å
132E95.9Very high91Very high122 Ų12264.3 Ų64.357%0.5736%0.364SS*.EExtended strand (participates in β ladder)trans-92.7113.7177.8-171.4-173.9-174.800109.9K134E132-K134 HydrophobicContact CG-CG 4.46Å
133L96.2Very high91.1Very high3 Ų363.4 Ų63.42%0.01636%0.359CS..EExtended strand (participates in β ladder)trans-85.4121.7171.8-61.8-168.1000109.6V131 I139 D153 I180 I196 G199 G200 L202V131-L133 HydrophobicContact CG2-CD2 4.46Å; L133-I139 HydrophobicContact CD1-CD1 4.2Å; L133-I139 HydrophobicContact CD2-CD1 3.86Å; L133-D153 HydrophobicContact CD2-CB 4.03Å; L133-I180 HydrophobicContact CD1-CD1 4.23Å; L133-I180 HydrophobicContact CD1-CG2 3.9Å; L133-I196 HydrophobicContact CB-CD1 3.99Å; L133-I196 HydrophobicContact CB-CG2 4.35Å; L133-I196 HydrophobicContact CD2-CD1 4.31Å; L133-G199 CarbonylContact O-C 3.6Å; L133-G199 WeakPolarHBondContact O-CA 3.41Å; L133-G200 PolarHBondContact N-O 3.37Å; L133-G200 PolarHBondContact O-N 3.32Å; L133-L202 HydrophobicContact CD1-CB 4.27Å; L133-L202 HydrophobicContact CD1-CD2 4.06Å; L133-L202 HydrophobicContact CG-CB 4.2Å
134K96.9Very high91.2Very high113 Ų11366.6 Ų66.649%0.49138%0.376SS..PPolyproline II helixtrans-99.6133.9-177.7-65-179.5-177.4174.50111.3E132 G136 N137 I196E132-K134 HydrophobicContact CG-CG 4.46Å; K134-G136 PolarHBondContact O-N 2.91Å; K134-N137 WeakPolarHBondContact O-CB 3.15Å; K134-N137 PolarHBondContact O-N 3.35Å; K134-I196 WeakPolarHBondContact O-CB 3.47Å; K134-I196 WeakPolarHBondContact O-CD1 3.32Å
135K97.6Very high91.6Very high153 Ų15364.2 Ų64.267%0.66537%0.37SS*.THydrogen-bonded Turntrans-55.8135.6177.2176.9170.7-174.7167.70111.6N137 I196 E197K135-N137 VanDerWaalsContact C-N 3.27Å; K135-N137 PolarHBondContact O-N 3.37Å; K135-I196 WeakPolarHBondContact CA-O 3.21Å; K135-E197 WeakPolarHBondContact CD-O 3.37Å; K135-E197 VanDerWaalsContact CE-O 3.23Å; K135-E197 WeakPolarHBondContact CE-O 3.39Å; K135-E197 VanDerWaalsContact CG-O 3.28Å; K135-E197 WeakPolarHBondContact CG-O 3.43Å
136G96.6Very high92.2Very high39 Ų3964.2 Ų64.240%0.40236%0.363SS..THydrogen-bonded Turntrans84.4-11.418000000114.5K134 I196K134-G136 PolarHBondContact O-N 2.91Å; G136-I196 PolarHBondContact N-O 3.25Å
137N97.7Very high93.4Very high85 Ų8564.6 Ų64.646%0.45536%0.355SS..  trans-74.6154.6172.6-72.79.7000110.7K134 K135 I196K134-N137 WeakPolarHBondContact O-CB 3.15Å; K134-N137 PolarHBondContact O-N 3.35Å; K135-N137 VanDerWaalsContact C-N 3.27Å; K135-N137 PolarHBondContact O-N 3.37Å; N137-I196 HydrophobicContact CB-CD1 4.02Å; N137-I196 PolarHBondContact O-N 3.2Å
138M98.1Very high94.5Very high89 Ų8966.2 Ų66.244%0.43835%0.349SS..EExtended strand (participates in β ladder)trans-90.8140.6172.8-61.6-56.6-62.700110.3K185 M193 C194 E195M138-K185 HydrophobicContact CE-CB 4.15Å; M138-K185 HydrophobicContact CE-CG 3.94Å; M138-M193 HydrophobicContact CB-SD 4.27Å; M138-M193 HydrophobicContact CE-CG 3.52Å; M138-M193 HydrophobicContact CE-SD 4.25Å; M138-C194 CarbonylContact C-O 3.42Å; M138-C194 WeakPolarHBondContact CA-O 3.3Å; M138-C194 WeakPolarHBondContact CE-O 3.38Å; M138-E195 HydrophobicContact CE-CB 4.49Å; M138-E195 HydrophobicContact SD-CB 3.84Å; M138-E195 HydrophobicContact SD-CG 4.26Å
139I98.1Very high95.2Very high0 Ų065.4 Ų65.40%034%0.34CS..EExtended strand (participates in β ladder)trans-131.5135.8174.4-169.6171.9000109.8L133 L156 L182 C194 I196L133-I139 HydrophobicContact CD1-CD1 4.2Å; L133-I139 HydrophobicContact CD2-CD1 3.86Å; I139-L156 HydrophobicContact CD1-CB 3.94Å; I139-L156 HydrophobicContact CG1-CB 4.42Å; I139-L182 HydrophobicContact CG2-CD1 3.88Å; I139-L182 HydrophobicContact CG2-CD2 3.95Å; I139-C194 HydrophobicContact CG2-CB 4.08Å; I139-C194 PolarHBondContact N-O 3.37Å; I139-C194 PolarHBondContact O-N 2.84Å; I139-I196 HydrophobicContact CB-CD1 4.25Å; I139-I196 HydrophobicContact CB-CG1 4.36Å; I139-I196 HydrophobicContact CG2-CD1 4.35Å; I139-I196 HydrophobicContact CG2-CG1 3.92Å
140K98.1Very high95.6Very high67 Ų6767.1 Ų67.129%0.29135%0.345SS..EExtended strand (participates in β ladder)trans-90.6114.2174.4-174.4-179.4179.7-177.90109.6E154 I155 L156 Y191 M193K140-E154 PolarHBondContact N-O 3.47Å; K140-I155 HydrophobicContact CB-CG1 4.4Å; K140-I155 CarbonylContact O-C 3.45Å; K140-I155 VanDerWaalsContact O-CA 3.31Å; K140-I155 WeakPolarHBondContact O-CA 3.3Å; K140-L156 PolarHBondContact O-N 3.21Å; K140-Y191 HydrophobicContact CD-CD2 4.49Å; K140-Y191 HydrophobicContact CD-CG 4.47Å; K140-Y191 HydrophobicContact CG-CD2 4.19Å; K140-Y191 HydrophobicContact CG-CG 4.39Å; K140-M193 HydrophobicContact CB-CE 3.85Å; K140-M193 HydrophobicContact CB-SD 4.31Å; K140-M193 HydrophobicContact CD-CE 4.44Å; K140-M193 HydrophobicContact CG-CE 4.06Å
141V97.8Very high95.8Very high3 Ų360.9 Ų60.92%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-87.8120.9169.6178.80000108.5L156 L158 L182 Y191 L192V141-L156 CarbonylContact C-O 3.44Å; V141-L156 VanDerWaalsContact CA-O 3.23Å; V141-L156 WeakPolarHBondContact CA-O 3.43Å; V141-L158 HydrophobicContact CG1-CD2 3.15Å; V141-L158 HydrophobicContact CG1-CG 3.7Å; V141-L182 HydrophobicContact CG2-CD1 3.97Å; V141-Y191 CarbonylContact O-C 3.58Å; V141-Y191 WeakPolarHBondContact O-CA 3.2Å; V141-Y191 VanDerWaalsContact O-CB 3.28Å; V141-Y191 WeakPolarHBondContact O-CB 3.39Å; V141-L192 HydrophobicContact CB-CB 4.15Å; V141-L192 PolarHBondContact N-O 2.97Å; V141-L192 PolarHBondContact O-N 2.91Å
142T96.8Very high95.8Very high3 Ų360.9 Ų60.92%0.01832%0.317CS..EExtended strand (participates in β ladder)trans-121.7152-171.4-169.90000112.6D144 Y147 I155 L156 W157 L158T142-D144 PolarHBondContact OG1-N 3.15Å; T142-Y147 HydrophobicContact CG2-CD2 4.09Å; T142-Y147 HydrophobicContact CG2-CG 4.08Å; T142-I155 HydrophobicContact CG2-CG2 3.64Å; T142-L156 PolarHBondContact N-O 2.88Å; T142-W157 HydrophobicContact CG2-CB 4.22Å; T142-W157 WeakPolarHBondContact O-CA 3.45Å; T142-L158 PolarHBondContact O-N 3.03Å
143L95.2Very high95.7Very high20 Ų2058.7 Ų58.711%0.10531%0.31CS..  trans-101.3-4.6172.7-58.8179.7000113.3D145 L158 Y160 K161 I163 D190L143-D145 PolarHBondContact O-N 2.78Å; L143-L158 HydrophobicContact CD2-CD1 3.49Å; L143-L158 VanDerWaalsContact CD2-CD1 3.49Å; L143-L158 HydrophobicContact CD2-CG 4.46Å; L143-Y160 VanDerWaalsContact CD2-O 3.3Å; L143-Y160 WeakPolarHBondContact CD2-O 3.11Å; L143-K161 HydrophobicContact CB-CD 4.38Å; L143-K161 VanDerWaalsContact CD1-O 3.24Å; L143-K161 WeakPolarHBondContact CD1-O 3.42Å; L143-K161 PolarHBondContact O-NZ 3.01Å; L143-I163 HydrophobicContact CD1-CG2 4.25Å; L143-I163 HydrophobicContact CD2-CG2 3.85Å; L143-I163 HydrophobicContact CG-CG2 4.32Å; L143-D190 WeakPolarHBondContact CB-O 3.44Å; L143-D190 WeakPolarHBondContact CG-O 3.47Å; L143-D190 PolarHBondContact N-O 3.41Å
144D95.5Very high95.7Very high72 Ų7264.8 Ų64.839%0.38534%0.338SS..  trans-70.7112.7-178.8-179.82.8000111.2T142 A146 Y147T142-D144 PolarHBondContact OG1-N 3.15Å; D144-A146 PolarHBondContact O-N 2.89Å; D144-A146 VanDerWaalsContact OD1-CB 3.29Å; D144-A146 WeakPolarHBondContact OD1-CB 3.42Å; D144-A146 PolarHBondContact OD1-N 2.91Å; D144-Y147 HydrophobicContact CB-CD2 4.09Å; D144-Y147 PolarHBondContact O-N 2.81Å
145D94.9Very high95.7Very high87 Ų8761 Ų6147%0.46532%0.323SS..G310 helixtrans-61-14.4-177.9-66.8-28.1000113.5L143 Y147 Q148 W157 K161L143-D145 PolarHBondContact O-N 2.78Å; D145-Y147 PolarHBondContact O-N 2.66Å; D145-Y147 VanDerWaalsContact O-N 3.14Å; D145-Q148 VanDerWaalsContact O-CB 3.29Å; D145-Q148 WeakPolarHBondContact O-CB 3.48Å; D145-Q148 PolarHBondContact O-N 3.03Å; D145-Q148 VanDerWaalsContact O-N 3.09Å; D145-W157 WeakPolarHBondContact OD1-CZ2 3.5Å; D145-W157 PolarHBondContact OD1-NE1 2.77Å; D145-K161 IonicContact OD1-NZ 2.63Å; D145-K161 PolarHBondContact OD1-NZ 2.95Å; D145-K161 IonicContact OD2-NZ 3.55Å
146A94.3Very high95.7Very high72 Ų7253.8 Ų53.860%0.59529%0.292SS*.G310 helixtrans-58.1-23.1168.200000113.2D144D144-A146 PolarHBondContact O-N 2.89Å; D144-A146 VanDerWaalsContact OD1-CB 3.29Å; D144-A146 WeakPolarHBondContact OD1-CB 3.42Å; D144-A146 PolarHBondContact OD1-N 2.91Å
147Y94Very high95.7Very high76 Ų7652.7 Ų52.730%0.29828%0.275SS..G310 helixtrans-102.11.3178.7-65.4-87.4000114T142 D144 D145 D149 N150 C151 I155T142-Y147 HydrophobicContact CG2-CD2 4.09Å; T142-Y147 HydrophobicContact CG2-CG 4.08Å; D144-Y147 HydrophobicContact CB-CD2 4.09Å; D144-Y147 PolarHBondContact O-N 2.81Å; D145-Y147 PolarHBondContact O-N 2.66Å; D145-Y147 VanDerWaalsContact O-N 3.14Å; Y147-D149 PolarHBondContact O-N 3.46Å; Y147-N150 CarbonylContact O-C 3.55Å; Y147-N150 PolarHBondContact O-N 2.83Å; Y147-C151 PolarHBondContact O-SG 2.84Å; Y147-I155 HydrophobicContact CD1-CB 4.38Å; Y147-I155 HydrophobicContact CD1-CD1 4.21Å; Y147-I155 HydrophobicContact CD1-CG2 3.7Å; Y147-I155 HydrophobicContact CE1-CD1 3.57Å; Y147-I155 HydrophobicContact CE1-CG2 4.11Å; Y147-I155 HydrophobicContact CG-CG2 3.96Å
148Q93.6Very high95.6Very high82 Ų8248.7 Ų48.738%0.38325%0.254SS..THydrogen-bonded Turntrans-53.8-41-178-178.6177.24.800112.2G121 L122 D145 W157G121-Q148 CarbonylContact C-O 3.18Å; G121-Q148 WeakPolarHBondContact CA-O 3.38Å; L122-Q148 PolarHBondContact N-O 2.87Å; D145-Q148 VanDerWaalsContact O-CB 3.29Å; D145-Q148 WeakPolarHBondContact O-CB 3.48Å; D145-Q148 PolarHBondContact O-N 3.03Å; D145-Q148 VanDerWaalsContact O-N 3.09Å; Q148-W157 HydrophobicContact CB-CD2 3.99Å; Q148-W157 HydrophobicContact CB-CE3 4.41Å; Q148-W157 HydrophobicContact CB-CG 4.29Å; Q148-W157 HydrophobicContact CB-CZ2 4.22Å; Q148-W157 HydrophobicContact CG-CD2 4.08Å; Q148-W157 HydrophobicContact CG-CE3 4.04Å; Q148-W157 HydrophobicContact CG-CH2 3.83Å; Q148-W157 HydrophobicContact CG-CZ2 3.89Å; Q148-W157 HydrophobicContact CG-CZ3 3.93Å
149D92.8Very high95.4Very high104 Ų10447.2 Ų47.256%0.55625%0.248SC*.THydrogen-bonded Turntrans-108.418.4179.5-63.6-31.5000113.5L122 Y147L122-D149 HydrophobicContact CB-CB 4.45Å; L122-D149 HydrophobicContact CD1-CB 4.38Å; L122-D149 WeakPolarHBondContact CD1-OD1 3.45Å; L122-D149 WeakPolarHBondContact CG-OD1 3.25Å; L122-D149 CarbonylContact O-C 3.52Å; Y147-D149 PolarHBondContact O-N 3.46Å
150N93.4Very high95.2Very high62 Ų6247.4 Ų47.433%0.33225%0.249SC..  trans-140.939.1-172.2-169.143.9000112L122 K124 Y147L122-N150 PolarHBondContact O-N 2.81Å; K124-N150 WeakPolarHBondContact CD-OD1 3.34Å; K124-N150 WeakPolarHBondContact CG-OD1 3.44Å; Y147-N150 CarbonylContact O-C 3.55Å; Y147-N150 PolarHBondContact O-N 2.83Å
151C94.5Very high94.9Very high0 Ų048.9 Ų48.90%026%0.255CS..BIsolated β-bridgetrans-71.1147.5175.6-64.10000111.5L122 I123 K124 Y147 I155 L156 W157L122-C151 VanDerWaalsContact O-CB 3.29Å; L122-C151 WeakPolarHBondContact O-CB 3.37Å; L122-C151 PolarHBondContact O-N 3.15Å; I123-C151 WeakPolarHBondContact CA-O 3.29Å; I123-C151 HydrophobicContact CD1-CB 3.89Å; K124-C151 WeakPolarHBondContact CB-O 3.43Å; K124-C151 PolarHBondContact N-O 3.17Å; Y147-C151 PolarHBondContact O-SG 2.84Å; C151-I155 CarbonylContact C-O 3.6Å; C151-I155 WeakPolarHBondContact CA-O 3.32Å; C151-L156 HydrophobicContact CB-CD1 4.18Å; C151-W157 PolarHBondContact SG-N 3.02Å
152S94.6Very high94.7Very high26 Ų2650 Ų5018%0.18226%0.261CS..  trans-141.6-172.2178.269.60000111.4E154 I155S152-E154 PolarHBondContact O-N 3.21Å; S152-E154 PolarHBondContact OG-N 3.47Å; S152-I155 PolarHBondContact N-O 2.77Å; S152-I155 PolarHBondContact OG-N 2.79Å
153D93.9Very high94.6Very high77 Ų7750 Ų5041%0.41226%0.261SS..SBendtrans-71.3-12.3170.658.3-34.1000114V131 L133V131-D153 HydrophobicContact CB-CB 4.4Å; L133-D153 HydrophobicContact CD2-CB 4.03Å
154E95.9Very high94.6Very high130 Ų13050.1 Ų50.161%0.60726%0.262SS*.SBendtrans-105-32.2178.1-63.1-179.7171.800113.1K140 S152K140-E154 PolarHBondContact N-O 3.47Å; S152-E154 PolarHBondContact O-N 3.21Å; S152-E154 PolarHBondContact OG-N 3.47Å
155I96.7Very high94.6Very high34 Ų3454.6 Ų54.617%0.17428%0.278CS..EExtended strand (participates in β ladder)trans-133.5126-175.9-57.3176.8000110.5K140 T142 Y147 C151 S152K140-I155 HydrophobicContact CB-CG1 4.4Å; K140-I155 CarbonylContact O-C 3.45Å; K140-I155 VanDerWaalsContact O-CA 3.31Å; K140-I155 WeakPolarHBondContact O-CA 3.3Å; T142-I155 HydrophobicContact CG2-CG2 3.64Å; Y147-I155 HydrophobicContact CD1-CB 4.38Å; Y147-I155 HydrophobicContact CD1-CD1 4.21Å; Y147-I155 HydrophobicContact CD1-CG2 3.7Å; Y147-I155 HydrophobicContact CE1-CD1 3.57Å; Y147-I155 HydrophobicContact CE1-CG2 4.11Å; Y147-I155 HydrophobicContact CG-CG2 3.96Å; C151-I155 CarbonylContact C-O 3.6Å; C151-I155 WeakPolarHBondContact CA-O 3.32Å; S152-I155 PolarHBondContact N-O 2.77Å; S152-I155 PolarHBondContact OG-N 2.79Å
156L97.1Very high94.5Very high1 Ų151.8 Ų51.81%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-122.9118.6179-176.762.3000111T120 I139 K140 V141 T142 C151 I175 L202T120-L156 HydrophobicContact CG2-CD1 3.89Å; T120-L156 HydrophobicContact CG2-CD2 3.99Å; T120-L156 HydrophobicContact CG2-CG 4.19Å; I139-L156 HydrophobicContact CD1-CB 3.94Å; I139-L156 HydrophobicContact CG1-CB 4.42Å; K140-L156 PolarHBondContact O-N 3.21Å; V141-L156 CarbonylContact C-O 3.44Å; V141-L156 VanDerWaalsContact CA-O 3.23Å; V141-L156 WeakPolarHBondContact CA-O 3.43Å; T142-L156 PolarHBondContact N-O 2.88Å; C151-L156 HydrophobicContact CB-CD1 4.18Å; L156-I175 HydrophobicContact CD2-CD1 3.5Å; L156-I175 VanDerWaalsContact CD2-CD1 3.5Å; L156-L202 HydrophobicContact CD1-CD2 3.73Å; L156-L202 HydrophobicContact CD2-CD2 4.26Å
157W97.3Very high94.6Very high16 Ų1648.7 Ų48.76%0.06124%0.238CC..EExtended strand (participates in β ladder)trans-83.5148171.3178.893.5000111.6T120 G121 T142 D145 Q148 C151 D159T120-W157 CarbonylContact C-O 3.54Å; T120-W157 WeakPolarHBondContact CA-O 3.5Å; G121-W157 PolarHBondContact N-O 3.32Å; T142-W157 HydrophobicContact CG2-CB 4.22Å; T142-W157 WeakPolarHBondContact O-CA 3.45Å; D145-W157 WeakPolarHBondContact OD1-CZ2 3.5Å; D145-W157 PolarHBondContact OD1-NE1 2.77Å; Q148-W157 HydrophobicContact CB-CD2 3.99Å; Q148-W157 HydrophobicContact CB-CE3 4.41Å; Q148-W157 HydrophobicContact CB-CG 4.29Å; Q148-W157 HydrophobicContact CB-CZ2 4.22Å; Q148-W157 HydrophobicContact CG-CD2 4.08Å; Q148-W157 HydrophobicContact CG-CE3 4.04Å; Q148-W157 HydrophobicContact CG-CH2 3.83Å; Q148-W157 HydrophobicContact CG-CZ2 3.89Å; Q148-W157 HydrophobicContact CG-CZ3 3.93Å; C151-W157 PolarHBondContact SG-N 3.02Å; W157-D159 HydrophobicContact CH2-CB 3.47Å; W157-D159 VanDerWaalsContact CH2-CB 3.47Å; W157-D159 HydrophobicContact CZ2-CB 4.25Å; W157-D159 HydrophobicContact CZ3-CB 3.83Å
158L95.3Very high94.7Very high2 Ų252.1 Ų52.11%0.0126%0.257CS..BIsolated β-bridgetrans-140.8156168.651.783.8000113.5I118 R119 V141 T142 L143 Y160 I163I118-L158 HydrophobicContact CG2-CB 4.47Å; R119-L158 WeakPolarHBondContact O-CA 3.25Å; V141-L158 HydrophobicContact CG1-CD2 3.15Å; V141-L158 HydrophobicContact CG1-CG 3.7Å; T142-L158 PolarHBondContact O-N 3.03Å; L143-L158 HydrophobicContact CD2-CD1 3.49Å; L143-L158 VanDerWaalsContact CD2-CD1 3.49Å; L143-L158 HydrophobicContact CD2-CG 4.46Å; L158-Y160 PolarHBondContact O-N 3.28Å; L158-I163 HydrophobicContact CD1-CB 4.26Å; L158-I163 HydrophobicContact CD1-CD1 3.87Å; L158-I163 HydrophobicContact CD1-CG2 4.06Å; L158-I163 HydrophobicContact CD2-CD1 3.73Å; L158-I163 HydrophobicContact CG-CD1 4.49Å
159D93.1Very high94.8Very high58 Ų5852.9 Ų52.931%0.3127%0.267SS..SBendtrans-83.8-6.5-170.862.71.7000114.8I118 R119 W157 K161I118-D159 WeakPolarHBondContact CA-OD1 3.47Å; R119-D159 PolarHBondContact N-OD1 2.64Å; R119-D159 PolarHBondContact N-OD2 3.34Å; R119-D159 PolarHBondContact O-N 2.86Å; R119-D159 VanDerWaalsContact O-N 3.13Å; W157-D159 HydrophobicContact CH2-CB 3.47Å; W157-D159 VanDerWaalsContact CH2-CB 3.47Å; W157-D159 HydrophobicContact CZ2-CB 4.25Å; W157-D159 HydrophobicContact CZ3-CB 3.83Å; D159-K161 PolarHBondContact O-N 3.22Å
160Y93.9Very high95Very high4 Ų449.6 Ų49.62%0.01626%0.258CS..  trans-9292.6-179.3179.1-134.1000113I118 L143 L158 N162 I163 V166 L210 V215 D216 L217I118-Y160 HydrophobicContact CD1-CD1 3.59Å; I118-Y160 HydrophobicContact CD1-CE1 4.25Å; I118-Y160 HydrophobicContact CD1-CG 3.91Å; I118-Y160 HydrophobicContact CG1-CD1 4.38Å; I118-Y160 HydrophobicContact CG1-CG 4.2Å; L143-Y160 VanDerWaalsContact CD2-O 3.3Å; L143-Y160 WeakPolarHBondContact CD2-O 3.11Å; L158-Y160 PolarHBondContact O-N 3.28Å; Y160-N162 HydrophobicContact CD2-CB 4.39Å; Y160-N162 HydrophobicContact CE2-CB 3.69Å; Y160-N162 PolarHBondContact O-N 2.85Å; Y160-I163 HydrophobicContact CD1-CB 3.65Å; Y160-I163 HydrophobicContact CD1-CG1 4.06Å; Y160-I163 HydrophobicContact CE1-CB 4.09Å; Y160-I163 HydrophobicContact CE1-CG1 4.42Å; Y160-I163 HydrophobicContact CG-CB 4.49Å; Y160-I163 WeakPolarHBondContact O-CB 3.3Å; Y160-I163 PolarHBondContact O-N 3.44Å; Y160-V166 HydrophobicContact CE1-CG2 3.56Å; Y160-V166 WeakPolarHBondContact OH-CG1 3.39Å; Y160-V166 WeakPolarHBondContact OH-CG2 3.45Å; Y160-L210 HydrophobicContact CD1-CD1 4.02Å; Y160-L210 HydrophobicContact CE1-CD1 4.01Å; Y160-V215 HydrophobicContact CE1-CG1 4.3Å; Y160-V215 HydrophobicContact CE2-CG1 4.36Å; Y160-D216 PolarHBondContact OH-N 2.73Å; Y160-D216 PolarHBondContact OH-OD1 2.92Å; Y160-L217 HydrophobicContact CD2-CD1 4Å; Y160-L217 HydrophobicContact CD2-CD2 3.7Å; Y160-L217 HydrophobicContact CD2-CG 3.72Å; Y160-L217 HydrophobicContact CE2-CD1 4.37Å; Y160-L217 HydrophobicContact CE2-CD2 3.94Å; Y160-L217 HydrophobicContact CE2-CG 3.72Å
161K92.4Very high95.1Very high97 Ų9748.4 Ų48.442%0.42225%0.254SS..THydrogen-bonded Turntrans-61.9-17.6-174.8-56.7-52-173.6-172.20115.5L143 D145 D159L143-K161 HydrophobicContact CB-CD 4.38Å; L143-K161 VanDerWaalsContact CD1-O 3.24Å; L143-K161 WeakPolarHBondContact CD1-O 3.42Å; L143-K161 PolarHBondContact O-NZ 3.01Å; D145-K161 IonicContact OD1-NZ 2.63Å; D145-K161 PolarHBondContact OD1-NZ 2.95Å; D145-K161 IonicContact OD2-NZ 3.55Å; D159-K161 PolarHBondContact O-N 3.22Å
162N94.3Very high95.1Very high28 Ų2852.2 Ų52.215%0.1527%0.271CS..THydrogen-bonded Turntrans-100.910.2-177.7-154.144.9000113.4Y160 T164 K165 D216Y160-N162 HydrophobicContact CD2-CB 4.39Å; Y160-N162 HydrophobicContact CE2-CB 3.69Å; Y160-N162 PolarHBondContact O-N 2.85Å; N162-T164 VanDerWaalsContact C-N 3.3Å; N162-T164 PolarHBondContact O-N 3.04Å; N162-K165 PolarHBondContact O-N 2.97Å; N162-K165 VanDerWaalsContact O-N 3.09Å; N162-K165 WeakPolarHBondContact OD1-CD 3.5Å; N162-K165 VanDerWaalsContact OD1-CE 3.31Å; N162-K165 WeakPolarHBondContact OD1-CE 3.4Å; N162-K165 WeakPolarHBondContact OD1-CG 3.49Å; N162-K165 PolarHBondContact OD1-NZ 3.33Å; N162-D216 PolarHBondContact ND2-OD1 2.75Å; N162-D216 PolarHBondContact ND2-OD2 2.88Å
163I94.8Very high95.2Very high1 Ų151 Ų511%0.00526%0.262CS..Hα-helixtrans-55.1-42.1-174.6-162172.9000113.1L143 L158 Y160 K165 V166 V167 L192 L210L143-I163 HydrophobicContact CD1-CG2 4.25Å; L143-I163 HydrophobicContact CD2-CG2 3.85Å; L143-I163 HydrophobicContact CG-CG2 4.32Å; L158-I163 HydrophobicContact CD1-CB 4.26Å; L158-I163 HydrophobicContact CD1-CD1 3.87Å; L158-I163 HydrophobicContact CD1-CG2 4.06Å; L158-I163 HydrophobicContact CD2-CD1 3.73Å; L158-I163 HydrophobicContact CG-CD1 4.49Å; Y160-I163 HydrophobicContact CD1-CB 3.65Å; Y160-I163 HydrophobicContact CD1-CG1 4.06Å; Y160-I163 HydrophobicContact CE1-CB 4.09Å; Y160-I163 HydrophobicContact CE1-CG1 4.42Å; Y160-I163 HydrophobicContact CG-CB 4.49Å; Y160-I163 WeakPolarHBondContact O-CB 3.3Å; Y160-I163 PolarHBondContact O-N 3.44Å; I163-K165 PolarHBondContact O-N 3.26Å; I163-K165 VanDerWaalsContact O-N 3.08Å; I163-V166 PolarHBondContact O-N 3.06Å; I163-V166 VanDerWaalsContact O-N 3.16Å; I163-V167 HydrophobicContact CG1-CG1 4.08Å; I163-V167 WeakPolarHBondContact O-CG2 3.35Å; I163-V167 PolarHBondContact O-N 2.91Å; I163-L192 HydrophobicContact CD1-CD1 3.75Å; I163-L192 HydrophobicContact CG1-CD1 4.02Å; I163-L192 HydrophobicContact CG2-CD1 4.3Å; I163-L210 HydrophobicContact CD1-CD1 4.12Å; I163-L210 HydrophobicContact CD1-CD2 4.09Å; I163-L210 HydrophobicContact CG1-CD1 3.9Å; I163-L210 HydrophobicContact CG1-CD2 4.49Å
164T95.3Very high95.3Very high23 Ų2350 Ų5014%0.14125%0.253CS..Hα-helixtrans-65.2-15.2-176.154.70000113.3N162 I187 L192N162-T164 VanDerWaalsContact C-N 3.3Å; N162-T164 PolarHBondContact O-N 3.04Å; T164-I187 HydrophobicContact CG2-CG2 4.28Å; T164-L192 HydrophobicContact CG2-CD2 4.01Å
165K94.6Very high95.2Very high166 Ų16643.8 Ų43.872%0.72222%0.224SC*.Hα-helixtrans-97.7-17.2179-54.9-164.2-160.5131.70114.2N162 I163N162-K165 PolarHBondContact O-N 2.97Å; N162-K165 VanDerWaalsContact O-N 3.09Å; N162-K165 WeakPolarHBondContact OD1-CD 3.5Å; N162-K165 VanDerWaalsContact OD1-CE 3.31Å; N162-K165 WeakPolarHBondContact OD1-CE 3.4Å; N162-K165 WeakPolarHBondContact OD1-CG 3.49Å; N162-K165 PolarHBondContact OD1-NZ 3.33Å; I163-K165 PolarHBondContact O-N 3.26Å; I163-K165 VanDerWaalsContact O-N 3.08Å
166V93.5Very high94.9Very high28 Ų2843.2 Ų43.217%0.1722%0.222CC..Hα-helixtrans-109.7-12.3-174.2-55.30000113.5Y160 I163 L210 A213 A214Y160-V166 HydrophobicContact CE1-CG2 3.56Å; Y160-V166 WeakPolarHBondContact OH-CG1 3.39Å; Y160-V166 WeakPolarHBondContact OH-CG2 3.45Å; I163-V166 PolarHBondContact O-N 3.06Å; I163-V166 VanDerWaalsContact O-N 3.16Å; V166-L210 HydrophobicContact CG2-CD1 4.45Å; V166-A213 HydrophobicContact CB-CB 4.4Å; V166-A213 HydrophobicContact CG2-CB 4.19Å; V166-A213 WeakPolarHBondContact O-CB 3.27Å; V166-A214 WeakPolarHBondContact CG1-O 3.01Å
167V95Very high94.4Very high8 Ų848.6 Ų48.65%0.04825%0.25CS..  trans-105154.2173.1-52.90000110.4I163 V184 I187 L192 L210 A213I163-V167 HydrophobicContact CG1-CG1 4.08Å; I163-V167 WeakPolarHBondContact O-CG2 3.35Å; I163-V167 PolarHBondContact O-N 2.91Å; V167-V184 HydrophobicContact CG2-CG2 4.38Å; V167-I187 HydrophobicContact CG2-CD1 4.17Å; V167-I187 VanDerWaalsContact O-CD1 3.27Å; V167-I187 WeakPolarHBondContact O-CD1 3.22Å; V167-L192 HydrophobicContact CG2-CD1 3.95Å; V167-L192 HydrophobicContact CG2-CD2 3.72Å; V167-L210 HydrophobicContact CG1-CD1 4.28Å; V167-L210 HydrophobicContact CG1-CD2 4.15Å; V167-A213 HydrophobicContact CG1-CB 4.39Å
168E96Very high93.9Very high148 Ų14848.8 Ų48.869%0.69226%0.257SS*.  trans-117.7161.4175.1-61.8-179177.900110.8G170 S171E168-G170 PolarHBondContact O-N 3.45Å; E168-S171 PolarHBondContact N-OG 3.29Å; E168-S171 WeakPolarHBondContact O-CB 3.27Å; E168-S171 PolarHBondContact O-N 3.48Å; E168-S171 PolarHBondContact O-OG 2.97Å
169V97.3Very high93.7Very high97 Ų9754.7 Ų54.759%0.58829%0.288SS*.THydrogen-bonded Turntrans-57.4129.6170.4175.50000109.2K185 I187V169-K185 WeakPolarHBondContact CG1-O 3.4Å; V169-I187 HydrophobicContact CG2-CD1 4.35Å; V169-I187 HydrophobicContact CG2-CG1 4.17Å
170G96.1Very high93.8Very high36 Ų3652 Ų5237%0.37127%0.274SS..THydrogen-bonded Turntrans94.4-11.6-172.700000114.6E168 V184E168-G170 PolarHBondContact O-N 3.45Å; G170-V184 PolarHBondContact N-O 3.45Å
171S95.4Very high94Very high36 Ų3651.9 Ų51.925%0.25227%0.273SS..  trans-61.8152.5175-59.30000111.6E168 V184E168-S171 PolarHBondContact N-OG 3.29Å; E168-S171 WeakPolarHBondContact O-CB 3.27Å; E168-S171 PolarHBondContact O-N 3.48Å; E168-S171 PolarHBondContact O-OG 2.97Å; S171-V184 PolarHBondContact O-N 3.49Å
172K95.1Very high94.2Very high80 Ų8047.2 Ų47.235%0.34825%0.253SS..EExtended strand (participates in β ladder)trans-99.9137176-63.2-164.1176.9-141.90111.1Y174 L182 E197K172-Y174 HydrophobicContact CB-CD2 4.19Å; K172-Y174 HydrophobicContact CB-CE2 3.61Å; K172-Y174 HydrophobicContact CD-CE2 4.05Å; K172-Y174 WeakPolarHBondContact CD-OH 3.48Å; K172-Y174 HydrophobicContact CG-CE2 4.48Å; K172-L182 CarbonylContact C-O 3.58Å; K172-L182 WeakPolarHBondContact CA-O 3.49Å; K172-E197 WeakPolarHBondContact CE-OE2 3.47Å; K172-E197 IonicContact NZ-OE1 2.71Å; K172-E197 IonicContact NZ-OE2 3.17Å; K172-E197 PolarHBondContact NZ-OE2 2.95Å
173V96.4Very high94.4Very high1 Ų148.1 Ų48.11%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-116.6118.8171.7-177.60000107.3I175 S181 L182 V184 V208 L210V173-I175 HydrophobicContact CG1-CG1 4.41Å; V173-S181 WeakPolarHBondContact O-CA 3.39Å; V173-L182 HydrophobicContact CB-CB 4.22Å; V173-L182 PolarHBondContact N-O 2.79Å; V173-L182 PolarHBondContact O-N 3.27Å; V173-V184 HydrophobicContact CG2-CG2 4.03Å; V173-V208 HydrophobicContact CG1-CG1 3.54Å; V173-L210 HydrophobicContact CB-CD2 4.18Å; V173-L210 HydrophobicContact CG1-CD2 3.88Å; V173-L210 HydrophobicContact CG2-CD2 3.76Å
174Y95.8Very high94.5Very high55 Ų5548.1 Ų48.122%0.21626%0.256CS..EExtended strand (participates in β ladder)trans-101.6139179.8-75.3-86.4000109.7K172 I180 V208 N209 P211 I298K172-Y174 HydrophobicContact CB-CD2 4.19Å; K172-Y174 HydrophobicContact CB-CE2 3.61Å; K172-Y174 HydrophobicContact CD-CE2 4.05Å; K172-Y174 WeakPolarHBondContact CD-OH 3.48Å; K172-Y174 HydrophobicContact CG-CE2 4.48Å; Y174-I180 CarbonylContact C-O 3.59Å; Y174-I180 WeakPolarHBondContact CA-O 3.39Å; Y174-V208 CarbonylContact O-C 3.38Å; Y174-V208 VanDerWaalsContact O-CA 3.25Å; Y174-V208 WeakPolarHBondContact O-CA 3.28Å; Y174-N209 PolarHBondContact N-O 3.37Å; Y174-N209 PolarHBondContact O-N 2.86Å; Y174-P211 HydrophobicContact CD2-CG 3.57Å; Y174-P211 HydrophobicContact CE2-CG 3.75Å; Y174-I298 HydrophobicContact CD1-CG2 4.33Å; Y174-I298 HydrophobicContact CD2-CG2 4.26Å; Y174-I298 HydrophobicContact CG-CG2 3.82Å
175I94.9Very high94.7Very high1 Ų151 Ų511%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-132.6144.4-177.5-52.5165.3000109T120 L156 V173 L179 I180 L182 L202 K206 G207 V208T120-I175 HydrophobicContact CG2-CG2 4.01Å; L156-I175 HydrophobicContact CD2-CD1 3.5Å; L156-I175 VanDerWaalsContact CD2-CD1 3.5Å; V173-I175 HydrophobicContact CG1-CG1 4.41Å; I175-L179 PolarHBondContact O-N 2.8Å; I175-I180 HydrophobicContact CB-CB 4.13Å; I175-I180 HydrophobicContact CB-CG2 4.29Å; I175-I180 HydrophobicContact CD1-CG2 4.34Å; I175-I180 PolarHBondContact N-O 3.39Å; I175-I180 PolarHBondContact O-N 2.79Å; I175-L182 HydrophobicContact CD1-CD1 3.59Å; I175-L182 HydrophobicContact CD1-CG 4.01Å; I175-L202 HydrophobicContact CG2-CD1 3.59Å; I175-K206 HydrophobicContact CG2-CB 3.95Å; I175-G207 WeakPolarHBondContact CA-O 3.37Å; I175-V208 HydrophobicContact CG1-CG2 4.31Å
176D90.1Very high94.8Very high22 Ų2247.6 Ų47.612%0.11825%0.254CS..THydrogen-bonded Turntrans57.971.8175-159.524.4000112.6G178 L179 K206 G207D176-G178 PolarHBondContact O-N 3.02Å; D176-G178 VanDerWaalsContact O-N 3.13Å; D176-L179 WeakPolarHBondContact O-CB 3.48Å; D176-L179 VanDerWaalsContact O-CG 3.27Å; D176-L179 WeakPolarHBondContact O-CG 3.33Å; D176-L179 PolarHBondContact O-N 3.24Å; D176-L179 VanDerWaalsContact O-N 3.1Å; D176-K206 HydrophobicContact CB-CB 3.98Å; D176-K206 HydrophobicContact CB-CD 4.42Å; D176-K206 HydrophobicContact CB-CG 3.99Å; D176-K206 VanDerWaalsContact OD1-CD 3.28Å; D176-K206 WeakPolarHBondContact OD1-CD 3.37Å; D176-K206 IonicContact OD1-NZ 3.77Å; D176-K206 PolarHBondContact OD1-NZ 2.66Å; D176-K206 IonicContact OD2-NZ 2.74Å; D176-K206 PolarHBondContact OD2-NZ 3.1Å; D176-G207 PolarHBondContact N-O 2.92Å
177D85.2Confident95.1Very high114 Ų11449 Ų4961%0.6126%0.259SS*.THydrogen-bonded Turntrans56.528.7-177.9-56.3-20.1000113.2L179D177-L179 PolarHBondContact O-N 3.35Å
178G88.5Confident95.1Very high20 Ų2049.3 Ų49.321%0.20627%0.265CS..THydrogen-bonded Turntrans73.69.7179.700000115.4D176 I180D176-G178 PolarHBondContact O-N 3.02Å; D176-G178 VanDerWaalsContact O-N 3.13Å; G178-I180 VanDerWaalsContact C-N 3.34Å
179L90.4Very high94.9Very high125 Ų12547.2 Ų47.265%0.65427%0.267SS*.THydrogen-bonded Turntrans-68-35.7177.7-63.5176000112.1I175 D176 D177I175-L179 PolarHBondContact O-N 2.8Å; D176-L179 WeakPolarHBondContact O-CB 3.48Å; D176-L179 VanDerWaalsContact O-CG 3.27Å; D176-L179 WeakPolarHBondContact O-CG 3.33Å; D176-L179 PolarHBondContact O-N 3.24Å; D176-L179 VanDerWaalsContact O-N 3.1Å; D177-L179 PolarHBondContact O-N 3.35Å
180I95.4Very high94.7Very high2 Ų245.8 Ų45.81%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-101.9134.7175.7-63.7172.8000108L133 Y174 I175 G178 L182 L202L133-I180 HydrophobicContact CD1-CD1 4.23Å; L133-I180 HydrophobicContact CD1-CG2 3.9Å; Y174-I180 CarbonylContact C-O 3.59Å; Y174-I180 WeakPolarHBondContact CA-O 3.39Å; I175-I180 HydrophobicContact CB-CB 4.13Å; I175-I180 HydrophobicContact CB-CG2 4.29Å; I175-I180 HydrophobicContact CD1-CG2 4.34Å; I175-I180 PolarHBondContact N-O 3.39Å; I175-I180 PolarHBondContact O-N 2.79Å; G178-I180 VanDerWaalsContact C-N 3.34Å; I180-L182 HydrophobicContact CG2-CD2 4.17Å; I180-L202 HydrophobicContact CD1-CB 3.89Å; I180-L202 HydrophobicContact CD1-CD1 4.14Å
181S96.6Very high94.8Very high1 Ų146.6 Ų46.61%0.00725%0.248CC..EExtended strand (participates in β ladder)trans-131.5129.8176.268.60000111.6V173 E197 N198V173-S181 WeakPolarHBondContact O-CA 3.39Å; S181-E197 PolarHBondContact O-N 3.21Å; S181-N198 PolarHBondContact N-O 3.46Å; S181-N198 PolarHBondContact O-N 3.37Å; S181-N198 VanDerWaalsContact O-N 3.15Å; S181-N198 WeakPolarHBondContact OG-CB 3.48Å; S181-N198 PolarHBondContact OG-N 3.07Å; S181-N198 PolarHBondContact OG-ND2 3.41Å
182L97.8Very high94.9Very high0 Ų044.9 Ų44.90%024%0.236CC..EExtended strand (participates in β ladder)trans-111.8144.9176.5-44.9-179.5000109.5I139 V141 K172 V173 I175 I180 C194 E195 I196I139-L182 HydrophobicContact CG2-CD1 3.88Å; I139-L182 HydrophobicContact CG2-CD2 3.95Å; V141-L182 HydrophobicContact CG2-CD1 3.97Å; K172-L182 CarbonylContact C-O 3.58Å; K172-L182 WeakPolarHBondContact CA-O 3.49Å; V173-L182 HydrophobicContact CB-CB 4.22Å; V173-L182 PolarHBondContact N-O 2.79Å; V173-L182 PolarHBondContact O-N 3.27Å; I175-L182 HydrophobicContact CD1-CD1 3.59Å; I175-L182 HydrophobicContact CD1-CG 4.01Å; I180-L182 HydrophobicContact CG2-CD2 4.17Å; L182-C194 HydrophobicContact CB-CB 3.82Å; L182-C194 HydrophobicContact CD1-CB 4.28Å; L182-E195 CarbonylContact C-O 3.52Å; L182-E195 WeakPolarHBondContact CA-O 3.28Å; L182-I196 HydrophobicContact CD2-CB 4.22Å; L182-I196 HydrophobicContact CD2-CG1 3.67Å; L182-I196 HydrophobicContact CD2-CG2 4.42Å
183Q97.9Very high95Very high47 Ų4743.4 Ų43.422%0.2223%0.231CC..EExtended strand (participates in β ladder)trans-110.9124.7170.2-176.3174.761.300110.1K185 C194 E195 E197Q183-K185 PolarHBondContact O-N 3.36Å; Q183-C194 CarbonylContact O-C 3.57Å; Q183-C194 WeakPolarHBondContact O-CA 3.42Å; Q183-E195 PolarHBondContact N-O 3Å; Q183-E195 PolarHBondContact O-N 3.29Å; Q183-E197 HydrophobicContact CB-CG 3.86Å
184V98.2Very high95.1Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-66.8122.4178.5-178.40000109.6V167 G170 S171 V173 I187 L192V167-V184 HydrophobicContact CG2-CG2 4.38Å; G170-V184 PolarHBondContact N-O 3.45Å; S171-V184 PolarHBondContact O-N 3.49Å; V173-V184 HydrophobicContact CG2-CG2 4.03Å; V184-I187 HydrophobicContact CG1-CD1 4.3Å; V184-I187 HydrophobicContact CG1-CG1 3.73Å; V184-L192 HydrophobicContact CG1-CD2 4.31Å; V184-L192 HydrophobicContact CG2-CD1 4.26Å
185K98.3Very high95.2Very high83 Ų8343.8 Ų43.836%0.36123%0.234SC..EExtended strand (participates in β ladder)trans-105.7-34.3176.9-60.7-59.7-175.8169.10112.6M138 V169 Q183 M193 E195M138-K185 HydrophobicContact CE-CB 4.15Å; M138-K185 HydrophobicContact CE-CG 3.94Å; V169-K185 WeakPolarHBondContact CG1-O 3.4Å; Q183-K185 PolarHBondContact O-N 3.36Å; K185-M193 PolarHBondContact N-O 3.18Å; K185-E195 HydrophobicContact CD-CB 4.42Å; K185-E195 WeakPolarHBondContact CE-OE2 3.23Å; K185-E195 HydrophobicContact CG-CB 4.06Å; K185-E195 IonicContact NZ-OE2 2.71Å; K185-E195 PolarHBondContact NZ-OE2 2.96Å
186E98.1Very high95.4Very high95 Ų9543.8 Ų43.844%0.44423%0.234SC..EExtended strand (participates in β ladder)trans-142.1144.7178.6-168.8-168.6126.400109.6Y191 L192 M193E186-Y191 PolarHBondContact OE1-OH 3.34Å; E186-L192 WeakPolarHBondContact O-CA 3.36Å; E186-M193 HydrophobicContact CB-CB 3.84Å; E186-M193 PolarHBondContact N-O 2.9Å; E186-M193 VanDerWaalsContact N-O 3.14Å; E186-M193 PolarHBondContact O-N 2.68Å
187I97.9Very high95.7Very high57 Ų5744.7 Ų44.729%0.29224%0.238SC..EExtended strand (participates in β ladder)trans-115.8114.4173.7-57.1-178.9000107.6T164 V167 V169 V184 L192T164-I187 HydrophobicContact CG2-CG2 4.28Å; V167-I187 HydrophobicContact CG2-CD1 4.17Å; V167-I187 VanDerWaalsContact O-CD1 3.27Å; V167-I187 WeakPolarHBondContact O-CD1 3.22Å; V169-I187 HydrophobicContact CG2-CD1 4.35Å; V169-I187 HydrophobicContact CG2-CG1 4.17Å; V184-I187 HydrophobicContact CG1-CD1 4.3Å; V184-I187 HydrophobicContact CG1-CG1 3.73Å; I187-L192 HydrophobicContact CB-CD2 4.26Å; I187-L192 HydrophobicContact CG1-CD2 3.86Å; I187-L192 HydrophobicContact CG2-CD2 3.99Å
188G95.4Very high96.2Very high16 Ų1643.3 Ų43.317%0.16523%0.23CC..  trans-88.2-171.3171.100000112.4D190 Y191G188-D190 PolarHBondContact O-N 3.27Å; G188-Y191 WeakPolarHBondContact CA-O 3.46Å; G188-Y191 PolarHBondContact N-O 2.9Å
189S92.8Very high96.5Very high104 Ų10443.7 Ų43.773%0.72724%0.235SC*.SBendtrans-61-43.4176.3400000113
190D93.6Very high96.7Very high66 Ų6639.1 Ų39.135%0.35322%0.217SC..SBendtrans-142.215.4-168.263.1-32.1000111.7L143 G188L143-D190 WeakPolarHBondContact CB-O 3.44Å; L143-D190 WeakPolarHBondContact CG-O 3.47Å; L143-D190 PolarHBondContact N-O 3.41Å; G188-D190 PolarHBondContact O-N 3.27Å
191Y96.8Very high96.6Very high53 Ų5342.7 Ų42.721%0.20824%0.239CC..EExtended strand (participates in β ladder)trans-145.7160179.373.3-93.1000112.2K140 V141 E186 G188 M193K140-Y191 HydrophobicContact CD-CD2 4.49Å; K140-Y191 HydrophobicContact CD-CG 4.47Å; K140-Y191 HydrophobicContact CG-CD2 4.19Å; K140-Y191 HydrophobicContact CG-CG 4.39Å; V141-Y191 CarbonylContact O-C 3.58Å; V141-Y191 WeakPolarHBondContact O-CA 3.2Å; V141-Y191 VanDerWaalsContact O-CB 3.28Å; V141-Y191 WeakPolarHBondContact O-CB 3.39Å; E186-Y191 PolarHBondContact OE1-OH 3.34Å; G188-Y191 WeakPolarHBondContact CA-O 3.46Å; G188-Y191 PolarHBondContact N-O 2.9Å; Y191-M193 HydrophobicContact CE2-CB 4.49Å
192L97.8Very high96.5Very high0 Ų042.6 Ų42.60%024%0.239CC..EExtended strand (participates in β ladder)trans-117.2135.4165.9-48.9170.6000107.9V141 I163 T164 V167 V184 E186 I187V141-L192 HydrophobicContact CB-CB 4.15Å; V141-L192 PolarHBondContact N-O 2.97Å; V141-L192 PolarHBondContact O-N 2.91Å; I163-L192 HydrophobicContact CD1-CD1 3.75Å; I163-L192 HydrophobicContact CG1-CD1 4.02Å; I163-L192 HydrophobicContact CG2-CD1 4.3Å; T164-L192 HydrophobicContact CG2-CD2 4.01Å; V167-L192 HydrophobicContact CG2-CD1 3.95Å; V167-L192 HydrophobicContact CG2-CD2 3.72Å; V184-L192 HydrophobicContact CG1-CD2 4.31Å; V184-L192 HydrophobicContact CG2-CD1 4.26Å; E186-L192 WeakPolarHBondContact O-CA 3.36Å; I187-L192 HydrophobicContact CB-CD2 4.26Å; I187-L192 HydrophobicContact CG1-CD2 3.86Å; I187-L192 HydrophobicContact CG2-CD2 3.99Å
193M98.3Very high96.2Very high50 Ų5042.8 Ų42.825%0.24624%0.241CC..EExtended strand (participates in β ladder)trans-96.7119166.1-166.656.163.900107.8M138 K140 K185 E186 Y191M138-M193 HydrophobicContact CB-SD 4.27Å; M138-M193 HydrophobicContact CE-CG 3.52Å; M138-M193 HydrophobicContact CE-SD 4.25Å; K140-M193 HydrophobicContact CB-CE 3.85Å; K140-M193 HydrophobicContact CB-SD 4.31Å; K140-M193 HydrophobicContact CD-CE 4.44Å; K140-M193 HydrophobicContact CG-CE 4.06Å; K185-M193 PolarHBondContact N-O 3.18Å; E186-M193 HydrophobicContact CB-CB 3.84Å; E186-M193 PolarHBondContact N-O 2.9Å; E186-M193 VanDerWaalsContact N-O 3.14Å; E186-M193 PolarHBondContact O-N 2.68Å; Y191-M193 HydrophobicContact CE2-CB 4.49Å
194C98.3Very high95.9Very high0 Ų041.7 Ų41.70%024%0.238CC..EExtended strand (participates in β ladder)trans-122.2144.4-173.3-57.20000111.5M138 I139 L182 Q183M138-C194 CarbonylContact C-O 3.42Å; M138-C194 WeakPolarHBondContact CA-O 3.3Å; M138-C194 WeakPolarHBondContact CE-O 3.38Å; I139-C194 HydrophobicContact CG2-CB 4.08Å; I139-C194 PolarHBondContact N-O 3.37Å; I139-C194 PolarHBondContact O-N 2.84Å; L182-C194 HydrophobicContact CB-CB 3.82Å; L182-C194 HydrophobicContact CD1-CB 4.28Å; Q183-C194 CarbonylContact O-C 3.57Å; Q183-C194 WeakPolarHBondContact O-CA 3.42Å
195E98.3Very high95.5Very high63 Ų6347.7 Ų47.729%0.29427%0.265SS..EExtended strand (participates in β ladder)trans-89.3135.6166-174.2-174.5162.700109M138 L182 Q183 K185 E197M138-E195 HydrophobicContact CE-CB 4.49Å; M138-E195 HydrophobicContact SD-CB 3.84Å; M138-E195 HydrophobicContact SD-CG 4.26Å; L182-E195 CarbonylContact C-O 3.52Å; L182-E195 WeakPolarHBondContact CA-O 3.28Å; Q183-E195 PolarHBondContact N-O 3Å; Q183-E195 PolarHBondContact O-N 3.29Å; K185-E195 HydrophobicContact CD-CB 4.42Å; K185-E195 WeakPolarHBondContact CE-OE2 3.23Å; K185-E195 HydrophobicContact CG-CB 4.06Å; K185-E195 IonicContact NZ-OE2 2.71Å; K185-E195 PolarHBondContact NZ-OE2 2.96Å; E195-E197 PolarHBondContact O-N 2.92Å
196I98.3Very high95.2Very high1 Ų146.2 Ų46.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-76.7106.3174.8-62.2158.6000108.6L133 K134 K135 G136 N137 I139 L182L133-I196 HydrophobicContact CB-CD1 3.99Å; L133-I196 HydrophobicContact CB-CG2 4.35Å; L133-I196 HydrophobicContact CD2-CD1 4.31Å; K134-I196 WeakPolarHBondContact O-CB 3.47Å; K134-I196 WeakPolarHBondContact O-CD1 3.32Å; K135-I196 WeakPolarHBondContact CA-O 3.21Å; G136-I196 PolarHBondContact N-O 3.25Å; N137-I196 HydrophobicContact CB-CD1 4.02Å; N137-I196 PolarHBondContact O-N 3.2Å; I139-I196 HydrophobicContact CB-CD1 4.25Å; I139-I196 HydrophobicContact CB-CG1 4.36Å; I139-I196 HydrophobicContact CG2-CD1 4.35Å; I139-I196 HydrophobicContact CG2-CG1 3.92Å; L182-I196 HydrophobicContact CD2-CB 4.22Å; L182-I196 HydrophobicContact CD2-CG1 3.67Å; L182-I196 HydrophobicContact CD2-CG2 4.42Å
197E96.3Very high94.8Very high42 Ų4242.4 Ų42.420%0.19624%0.244CC..EExtended strand (participates in β ladder)trans-77.8-48.8176.5-71.5-167.2154.100111.3K135 K172 S181 Q183 E195K135-E197 WeakPolarHBondContact CD-O 3.37Å; K135-E197 VanDerWaalsContact CE-O 3.23Å; K135-E197 WeakPolarHBondContact CE-O 3.39Å; K135-E197 VanDerWaalsContact CG-O 3.28Å; K135-E197 WeakPolarHBondContact CG-O 3.43Å; K172-E197 WeakPolarHBondContact CE-OE2 3.47Å; K172-E197 IonicContact NZ-OE1 2.71Å; K172-E197 IonicContact NZ-OE2 3.17Å; K172-E197 PolarHBondContact NZ-OE2 2.95Å; S181-E197 PolarHBondContact O-N 3.21Å; Q183-E197 HydrophobicContact CB-CG 3.86Å; E195-E197 PolarHBondContact O-N 2.92Å
198N95.3Very high94.7Very high84 Ų8440 Ų4045%0.44923%0.233SC..EExtended strand (participates in β ladder)trans-121115.4173.5-70.3-27.4000108.3S181S181-N198 PolarHBondContact N-O 3.46Å; S181-N198 PolarHBondContact O-N 3.37Å; S181-N198 VanDerWaalsContact O-N 3.15Å; S181-N198 WeakPolarHBondContact OG-CB 3.48Å; S181-N198 PolarHBondContact OG-N 3.07Å; S181-N198 PolarHBondContact OG-ND2 3.41Å
199G95.1Very high94.6Very high29 Ų2939.7 Ų39.730%0.29923%0.227SC..  trans-80.8-179.317600000112.7L133L133-G199 CarbonylContact O-C 3.6Å; L133-G199 WeakPolarHBondContact O-CA 3.41Å
200G94.5Very high94.6Very high28 Ų2834.8 Ų34.829%0.28919%0.193SC..EExtended strand (participates in β ladder)trans160.4178.2-18000000111.9L133 L202L133-G200 PolarHBondContact N-O 3.37Å; L133-G200 PolarHBondContact O-N 3.32Å; G200-L202 PolarHBondContact O-N 3.38Å
201T94.4Very high94.4Very high77 Ų7733.4 Ų33.447%0.47219%0.187SC..EExtended strand (participates in β ladder)trans-81.2116.4175.7-54.50000109.7E130E130-T201 HydrophobicContact CB-CG2 3.59Å; E130-T201 HydrophobicContact CG-CG2 4.12Å; E130-T201 WeakPolarHBondContact OE2-CG2 3.48Å
202L93.4Very high93.8Very high0 Ų034.3 Ų34.30%021%0.212CC..EExtended strand (participates in β ladder)trans-99.5121.8177.4178.865.2000110.4I123 E130 V131 L133 L156 I175 I180 G200 K206I123-L202 HydrophobicContact CD1-CD2 4.33Å; I123-L202 HydrophobicContact CD1-CG 4.32Å; E130-L202 VanDerWaalsContact CA-O 3.31Å; E130-L202 WeakPolarHBondContact CA-O 3.41Å; V131-L202 HydrophobicContact CG2-CB 4.03Å; V131-L202 HydrophobicContact CG2-CD2 4.41Å; V131-L202 PolarHBondContact N-O 3.28Å; V131-L202 PolarHBondContact O-N 3.05Å; L133-L202 HydrophobicContact CD1-CB 4.27Å; L133-L202 HydrophobicContact CD1-CD2 4.06Å; L133-L202 HydrophobicContact CG-CB 4.2Å; L156-L202 HydrophobicContact CD1-CD2 3.73Å; L156-L202 HydrophobicContact CD2-CD2 4.26Å; I175-L202 HydrophobicContact CG2-CD1 3.59Å; I180-L202 HydrophobicContact CD1-CB 3.89Å; I180-L202 HydrophobicContact CD1-CD1 4.14Å; G200-L202 PolarHBondContact O-N 3.38Å; L202-K206 HydrophobicContact CD1-CB 4.17Å; L202-K206 HydrophobicContact CD1-CG 3.85Å
203G92Very high93.4Very high4 Ų435.4 Ų35.44%0.04122%0.222CC..  trans-94.5-173.8169.500000113.6K206G203-K206 WeakPolarHBondContact O-CG 3.48Å
204S91.8Very high92.7Very high23 Ų2336.8 Ų36.816%0.16124%0.241CC..THydrogen-bonded Turntrans-80.3148.8178.3-650000112.9L122 I123 K206L122-S204 WeakPolarHBondContact CA-OG 3.46Å; I123-S204 PolarHBondContact N-OG 3.12Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 PolarHBondContact O-N 3.13Å
205K90.2Very high92.2Very high127 Ų12737.9 Ų37.955%0.55225%0.247SC*.THydrogen-bonded Turntrans54.739.6172.1-62.8176.7175.7174.30114.5R119 T120 G121 L122R119-K205 WeakPolarHBondContact CD-O 3.33Å; R119-K205 PolarHBondContact NH1-O 3.38Å; T120-K205 WeakPolarHBondContact O-CA 3.39Å; T120-K205 PolarHBondContact OG1-N 3.35Å; G121-K205 PolarHBondContact O-N 3.1Å; L122-K205 HydrophobicContact CD2-CD 4.07Å; L122-K205 HydrophobicContact CD2-CG 4.08Å
206K90.3Very high91.6Very high51 Ų5139.6 Ų39.622%0.22226%0.259CS..  trans-77.9148.9176.5-59.4-46.8-166.9113.90110.9R119 T120 I175 D176 L202 G203 S204R119-K206 CarbonylContact C-O 3.58Å; R119-K206 VanDerWaalsContact CA-O 3.3Å; R119-K206 WeakPolarHBondContact CA-O 3.47Å; T120-K206 PolarHBondContact N-O 3.07Å; T120-K206 PolarHBondContact OG1-N 2.8Å; I175-K206 HydrophobicContact CG2-CB 3.95Å; D176-K206 HydrophobicContact CB-CB 3.98Å; D176-K206 HydrophobicContact CB-CD 4.42Å; D176-K206 HydrophobicContact CB-CG 3.99Å; D176-K206 VanDerWaalsContact OD1-CD 3.28Å; D176-K206 WeakPolarHBondContact OD1-CD 3.37Å; D176-K206 IonicContact OD1-NZ 3.77Å; D176-K206 PolarHBondContact OD1-NZ 2.66Å; D176-K206 IonicContact OD2-NZ 2.74Å; D176-K206 PolarHBondContact OD2-NZ 3.1Å; L202-K206 HydrophobicContact CD1-CB 4.17Å; L202-K206 HydrophobicContact CD1-CG 3.85Å; G203-K206 WeakPolarHBondContact O-CG 3.48Å; S204-K206 VanDerWaalsContact C-N 3.31Å; S204-K206 PolarHBondContact O-N 3.13Å
207G91.5Very high91.1Very high15 Ų1541.7 Ų41.716%0.15527%0.27CS..EExtended strand (participates in β ladder)trans-66.3146.1175.800000111I118 I175 D176I118-G207 CarbonylContact O-C 3.58Å; I118-G207 WeakPolarHBondContact O-CA 3.41Å; I175-G207 WeakPolarHBondContact CA-O 3.37Å; D176-G207 PolarHBondContact N-O 2.92Å
208V94.4Very high90.8Very high8 Ų843.6 Ų43.65%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-123.4131.1175.2-177.40000109.3I118 T120 V173 Y174 I175 L210I118-V208 HydrophobicContact CB-CB 3.96Å; I118-V208 HydrophobicContact CG2-CB 3.77Å; I118-V208 HydrophobicContact CG2-CG1 4.27Å; I118-V208 HydrophobicContact CG2-CG2 4.27Å; I118-V208 PolarHBondContact O-N 3.48Å; T120-V208 HydrophobicContact CG2-CG2 3.68Å; V173-V208 HydrophobicContact CG1-CG1 3.54Å; Y174-V208 CarbonylContact O-C 3.38Å; Y174-V208 VanDerWaalsContact O-CA 3.25Å; Y174-V208 WeakPolarHBondContact O-CA 3.28Å; I175-V208 HydrophobicContact CG1-CG2 4.31Å; V208-L210 HydrophobicContact CG1-CD2 4.3Å
209N93.7Very high90.2Very high8 Ų840.3 Ų40.34%0.04327%0.27CS..EExtended strand (participates in β ladder)trans-119.1144.4178.4-62.285000109.5Y174 P211 D295 I298 E299Y174-N209 PolarHBondContact N-O 3.37Å; Y174-N209 PolarHBondContact O-N 2.86Å; N209-P211 WeakPolarHBondContact O-CD 3.44Å; N209-D295 PolarHBondContact ND2-OD1 3.31Å; N209-I298 HydrophobicContact CB-CB 4.43Å; N209-I298 HydrophobicContact CB-CG2 3.59Å; N209-E299 WeakPolarHBondContact CB-OE1 3.34Å
210L93.3Very high90.1Very high2 Ų240 Ų401%0.0126%0.263CS..  trans-127.969.9-174.7-59.2175.8000109.9I118 Y160 I163 V166 V167 V173 V208 G212 A213 V215 E299I118-L210 HydrophobicContact CD1-CD1 3.58Å; I118-L210 HydrophobicContact CD1-CG 4.12Å; Y160-L210 HydrophobicContact CD1-CD1 4.02Å; Y160-L210 HydrophobicContact CE1-CD1 4.01Å; I163-L210 HydrophobicContact CD1-CD1 4.12Å; I163-L210 HydrophobicContact CD1-CD2 4.09Å; I163-L210 HydrophobicContact CG1-CD1 3.9Å; I163-L210 HydrophobicContact CG1-CD2 4.49Å; V166-L210 HydrophobicContact CG2-CD1 4.45Å; V167-L210 HydrophobicContact CG1-CD1 4.28Å; V167-L210 HydrophobicContact CG1-CD2 4.15Å; V173-L210 HydrophobicContact CB-CD2 4.18Å; V173-L210 HydrophobicContact CG1-CD2 3.88Å; V173-L210 HydrophobicContact CG2-CD2 3.76Å; V208-L210 HydrophobicContact CG1-CD2 4.3Å; L210-G212 PolarHBondContact O-N 2.7Å; L210-A213 HydrophobicContact CB-CB 3.75Å; L210-A213 VanDerWaalsContact O-CB 3.28Å; L210-A213 WeakPolarHBondContact O-CB 3.47Å; L210-A213 PolarHBondContact O-N 2.73Å; L210-V215 HydrophobicContact CB-CG2 4.26Å; L210-V215 HydrophobicContact CD1-CG2 4.19Å; L210-E299 PolarHBondContact N-OE1 2.98Å
211P89.4Confident90Very high37 Ų3740.4 Ų40.424%0.2426%0.261CS..THydrogen-bonded Turntrans-57.5126.8-173.3-26.236.8000112.2Y174 N209 A213 I298Y174-P211 HydrophobicContact CD2-CG 3.57Å; Y174-P211 HydrophobicContact CE2-CG 3.75Å; N209-P211 WeakPolarHBondContact O-CD 3.44Å; P211-A213 VanDerWaalsContact C-N 3.26Å; P211-A213 PolarHBondContact O-N 2.82Å; P211-I298 VanDerWaalsContact CG-O 3.23Å; P211-I298 WeakPolarHBondContact CG-O 3.24Å
212G84.6Confident89.8Confident71 Ų7144.1 Ų44.173%0.73227%0.273SS*.THydrogen-bonded Turntrans83-9.1-179.500000115.1L210L210-G212 PolarHBondContact O-N 2.7Å
213A87.4Confident89.7Confident24 Ų2448.2 Ų48.220%0.19829%0.29CS..  trans-76.5139.417200000110.9V166 V167 L210 P211 V215V166-A213 HydrophobicContact CB-CB 4.4Å; V166-A213 HydrophobicContact CG2-CB 4.19Å; V166-A213 WeakPolarHBondContact O-CB 3.27Å; V167-A213 HydrophobicContact CG1-CB 4.39Å; L210-A213 HydrophobicContact CB-CB 3.75Å; L210-A213 VanDerWaalsContact O-CB 3.28Å; L210-A213 WeakPolarHBondContact O-CB 3.47Å; L210-A213 PolarHBondContact O-N 2.73Å; P211-A213 VanDerWaalsContact C-N 3.26Å; P211-A213 PolarHBondContact O-N 2.82Å; A213-V215 VanDerWaalsContact C-N 3.26Å; A213-V215 HydrophobicContact CB-CG2 4.38Å; A213-V215 PolarHBondContact O-N 2.76Å
214A84.7Confident89.8Confident79 Ų7948.1 Ų48.165%0.65329%0.289SS*.  trans-80.974.4172.300000109.9V166 D216V166-A214 WeakPolarHBondContact CG1-O 3.01Å; A214-D216 PolarHBondContact O-N 3.48Å
215V86.6Confident90.1Very high22 Ų2249.8 Ų49.813%0.13330%0.296CS..  trans-60.3129179-179.80000109.6I118 Y160 L210 A213 L217 R245I118-V215 HydrophobicContact CD1-CG1 4.43Å; Y160-V215 HydrophobicContact CE1-CG1 4.3Å; Y160-V215 HydrophobicContact CE2-CG1 4.36Å; L210-V215 HydrophobicContact CB-CG2 4.26Å; L210-V215 HydrophobicContact CD1-CG2 4.19Å; A213-V215 VanDerWaalsContact C-N 3.26Å; A213-V215 HydrophobicContact CB-CG2 4.38Å; A213-V215 PolarHBondContact O-N 2.76Å; V215-L217 HydrophobicContact CG1-CB 4.15Å; V215-L217 HydrophobicContact CG1-CD1 4.06Å; V215-L217 HydrophobicContact CG1-CG 3.99Å; V215-R245 PolarHBondContact O-NH1 2.99Å
216D87.4Confident90.4Very high99 Ų9949.7 Ų49.753%0.52930%0.295SS..  trans-10817.3-173.370.7-16.6000114.4Y160 N162 A214Y160-D216 PolarHBondContact OH-N 2.73Å; Y160-D216 PolarHBondContact OH-OD1 2.92Å; N162-D216 PolarHBondContact ND2-OD1 2.75Å; N162-D216 PolarHBondContact ND2-OD2 2.88Å; A214-D216 PolarHBondContact O-N 3.48Å
217L87.4Confident90.8Very high46 Ų4647.5 Ų47.524%0.24129%0.286CS..  trans-60.7138.7170.2-70.3174.3000111.3P116 I118 Y160 V215P116-L217 HydrophobicContact CB-CB 3.48Å; P116-L217 VanDerWaalsContact CB-CB 3.48Å; P116-L217 HydrophobicContact CB-CD1 3.98Å; P116-L217 HydrophobicContact CB-CG 4.37Å; P116-L217 WeakPolarHBondContact O-CD1 3.45Å; I118-L217 HydrophobicContact CG1-CD1 3.91Å; Y160-L217 HydrophobicContact CD2-CD1 4Å; Y160-L217 HydrophobicContact CD2-CD2 3.7Å; Y160-L217 HydrophobicContact CD2-CG 3.72Å; Y160-L217 HydrophobicContact CE2-CD1 4.37Å; Y160-L217 HydrophobicContact CE2-CD2 3.94Å; Y160-L217 HydrophobicContact CE2-CG 3.72Å; V215-L217 HydrophobicContact CG1-CB 4.15Å; V215-L217 HydrophobicContact CG1-CD1 4.06Å; V215-L217 HydrophobicContact CG1-CG 3.99Å
218P88.5Confident91.2Very high82 Ų8246.8 Ų46.853%0.53228%0.279SS..  trans-65139176.328.5-34.4000110.1V220P218-V220 PolarHBondContact O-N 3.05Å
219A84.4Confident91.3Very high15 Ų1551 Ų5112%0.12430%0.298CS..SBendtrans-62.6-25177.700000113.2D249A219-D249 HydrophobicContact CB-CB 3.5Å; A219-D249 VanDerWaalsContact CB-CB 3.5Å
220V91.8Very high91.6Very high23 Ų2351.4 Ų51.414%0.13930%0.299CS..SBendtrans-125.1104.8175.3-168.90000108.7P218 D224 I225 L228 A252 V253 V256P218-V220 PolarHBondContact O-N 3.05Å; V220-D224 HydrophobicContact CG1-CB 3.79Å; V220-I225 HydrophobicContact CG1-CG1 3.79Å; V220-L228 HydrophobicContact CG1-CD1 4.05Å; V220-A252 HydrophobicContact CG2-CB 4.05Å; V220-V253 HydrophobicContact CG2-CG2 3.6Å; V220-V256 HydrophobicContact CG1-CG2 4.41Å
221S91.8Very high91.8Very high35 Ų3551.3 Ų51.325%0.24530%0.299CS..  trans-77.3168.6174.571.50000112.1K223 D224 I225S221-K223 PolarHBondContact O-N 2.9Å; S221-K223 PolarHBondContact OG-N 2.85Å; S221-D224 VanDerWaalsContact CB-OD2 3.3Å; S221-D224 WeakPolarHBondContact CB-OD2 3.32Å; S221-D224 PolarHBondContact N-OD2 3.02Å; S221-D224 PolarHBondContact O-N 3.25Å; S221-D224 VanDerWaalsContact OG-CG 3.28Å; S221-D224 PolarHBondContact OG-N 2.86Å; S221-D224 VanDerWaalsContact OG-N 3.13Å; S221-D224 PolarHBondContact OG-OD2 3.37Å; S221-I225 WeakPolarHBondContact O-CG1 3.3Å; S221-I225 PolarHBondContact O-N 3.5Å
222E92.1Very high92.3Very high155 Ų15550.5 Ų50.572%0.72429%0.293SS*.Hα-helixtrans-57.7-32.4172.2-66.5-175.7177.900112.9K226E222-K226 WeakPolarHBondContact O-CG 3.24Å; E222-K226 PolarHBondContact O-N 3.38Å
223K90.4Very high92.9Very high86 Ų8653.2 Ų53.237%0.37429%0.287SS..Hα-helixtrans-67.8-47.2173.6-174.4-170.2169.6-162.40110.2F75 S221 I225 K226 D227F75-K223 PolarHBondContact O-NZ 2.84Å; S221-K223 PolarHBondContact O-N 2.9Å; S221-K223 PolarHBondContact OG-N 2.85Å; K223-I225 PolarHBondContact O-N 3.27Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 3.46Å; K223-D227 WeakPolarHBondContact CE-OD2 3.46Å; K223-D227 VanDerWaalsContact O-CG 3.3Å; K223-D227 PolarHBondContact O-N 2.78Å
224D94.8Very high93.5Very high2 Ų254.5 Ų54.51%0.01129%0.289CS..Hα-helixtrans-60.2-36.2178.1-60.2-58000111.2G115 V220 S221 K226 D227 L228G115-D224 PolarHBondContact N-OD1 3.19Å; V220-D224 HydrophobicContact CG1-CB 3.79Å; S221-D224 VanDerWaalsContact CB-OD2 3.3Å; S221-D224 WeakPolarHBondContact CB-OD2 3.32Å; S221-D224 PolarHBondContact N-OD2 3.02Å; S221-D224 PolarHBondContact O-N 3.25Å; S221-D224 VanDerWaalsContact OG-CG 3.28Å; S221-D224 PolarHBondContact OG-N 2.86Å; S221-D224 VanDerWaalsContact OG-N 3.13Å; S221-D224 PolarHBondContact OG-OD2 3.37Å; D224-K226 PolarHBondContact O-N 3.06Å; D224-D227 PolarHBondContact O-N 2.78Å; D224-L228 VanDerWaalsContact O-CB 3.32Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 WeakPolarHBondContact O-CG 3.23Å; D224-L228 PolarHBondContact O-N 2.7Å
225I97Very high94.1Very high59 Ų5952.1 Ų52.130%0.30327%0.271SS..Hα-helixtrans-58.1-48.1173.7-66.3173.3000111.1V220 S221 K223 L228 Q229 V256V220-I225 HydrophobicContact CG1-CG1 3.79Å; S221-I225 WeakPolarHBondContact O-CG1 3.3Å; S221-I225 PolarHBondContact O-N 3.5Å; K223-I225 PolarHBondContact O-N 3.27Å; I225-L228 PolarHBondContact O-N 2.96Å; I225-Q229 WeakPolarHBondContact O-CB 3.29Å; I225-Q229 VanDerWaalsContact O-CG 3.27Å; I225-Q229 WeakPolarHBondContact O-CG 3.4Å; I225-Q229 PolarHBondContact O-N 3.48Å; I225-V256 HydrophobicContact CB-CG1 4.31Å; I225-V256 HydrophobicContact CG1-CG1 4.28Å; I225-V256 HydrophobicContact CG1-CG2 4.01Å; I225-V256 HydrophobicContact CG2-CG1 4.03Å
226K97.8Very high94.7Very high125 Ų12551.1 Ų51.154%0.54327%0.265SS..Hα-helixtrans-64.3-41.2178.2-67.2172.6-175.4173.30111.6E222 K223 D224 Q229 F230E222-K226 WeakPolarHBondContact O-CG 3.24Å; E222-K226 PolarHBondContact O-N 3.38Å; K223-K226 WeakPolarHBondContact O-CB 3.48Å; K223-K226 PolarHBondContact O-N 3.46Å; D224-K226 PolarHBondContact O-N 3.06Å; K226-Q229 PolarHBondContact O-N 2.92Å; K226-F230 WeakPolarHBondContact O-CB 3.31Å; K226-F230 PolarHBondContact O-N 3.29Å
227D98.1Very high95.2Very high4 Ų446.4 Ų46.42%0.02124%0.24CC..Hα-helixtrans-64.6-42.8178.2-66.5-13.5000111.2F75 H80 L111 K223 D224 F230 G231F75-D227 HydrophobicContact CD1-CB 3.67Å; F75-D227 HydrophobicContact CE1-CB 4.1Å; H80-D227 IonicContact CD2-OD1 2.83Å; H80-D227 IonicContact CE1-OD1 3.35Å; H80-D227 IonicContact NE2-OD1 3.92Å; H80-D227 PolarHBondContact NE2-OD1 3.32Å; L111-D227 VanDerWaalsContact CD1-O 3.25Å; L111-D227 WeakPolarHBondContact CD1-O 3.26Å; K223-D227 WeakPolarHBondContact CE-OD2 3.46Å; K223-D227 VanDerWaalsContact O-CG 3.3Å; K223-D227 PolarHBondContact O-N 2.78Å; D224-D227 PolarHBondContact O-N 2.78Å; D227-F230 WeakPolarHBondContact O-CB 3.43Å; D227-F230 PolarHBondContact O-N 3.49Å; D227-G231 PolarHBondContact O-N 3.19Å
228L98.5Very high95.8Very high1 Ų144.2 Ų44.21%0.00523%0.229CC..Hα-helixtrans-65.8-42.7176.5-70.8169.9000112L111 T113 V220 D224 I225 G231 V232 V239 V253 V256 L257L111-L228 HydrophobicContact CD2-CD2 4.36Å; T113-L228 HydrophobicContact CG2-CD2 3.99Å; T113-L228 HydrophobicContact CG2-CG 4.45Å; V220-L228 HydrophobicContact CG1-CD1 4.05Å; D224-L228 VanDerWaalsContact O-CB 3.32Å; D224-L228 WeakPolarHBondContact O-CB 3.39Å; D224-L228 WeakPolarHBondContact O-CG 3.23Å; D224-L228 PolarHBondContact O-N 2.7Å; I225-L228 PolarHBondContact O-N 2.96Å; L228-G231 WeakPolarHBondContact O-CA 3.47Å; L228-G231 PolarHBondContact O-N 3.35Å; L228-G231 VanDerWaalsContact O-N 3.15Å; L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.22Å; L228-V239 HydrophobicContact CD2-CB 4.36Å; L228-V239 HydrophobicContact CD2-CG1 3.66Å; L228-V239 HydrophobicContact CD2-CG2 3.74Å; L228-V253 HydrophobicContact CD1-CG1 4.18Å; L228-V253 HydrophobicContact CD2-CG1 4.23Å; L228-V256 HydrophobicContact CB-CG1 3.84Å; L228-V256 HydrophobicContact CD1-CB 4.19Å; L228-V256 HydrophobicContact CD1-CG1 3.79Å; L228-V256 HydrophobicContact CG-CG1 4.48Å; L228-L257 HydrophobicContact CB-CD2 4.27Å; L228-L257 HydrophobicContact CD2-CD2 4.18Å
229Q98.4Very high96.3Very high96 Ų9640.4 Ų40.445%0.44920%0.204SC..Hα-helixtrans-62.3-44.2175-74.4173.4-10.700111.4I225 K226 G231 V232 E233I225-Q229 WeakPolarHBondContact O-CB 3.29Å; I225-Q229 VanDerWaalsContact O-CG 3.27Å; I225-Q229 WeakPolarHBondContact O-CG 3.4Å; I225-Q229 PolarHBondContact O-N 3.48Å; K226-Q229 PolarHBondContact O-N 2.92Å; Q229-G231 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 3.08Å; Q229-V232 WeakPolarHBondContact O-CB 3.49Å; Q229-V232 PolarHBondContact O-N 2.83Å; Q229-V232 VanDerWaalsContact O-N 3.15Å; Q229-E233 WeakPolarHBondContact O-CG 3.07Å; Q229-E233 PolarHBondContact O-N 3.27Å
230F98.7Very high97Very high16 Ų1639.7 Ų39.77%0.0720%0.198CC..Hα-helixtrans-57-43.5170.9170.9-95.9000111.5F75 H80 H83 A84 I87 K226 D227 V232 E233 Q234F75-F230 AromaticContact CE1-CD1 3.74Å; F75-F230 HydrophobicContact CE1-CD1 3.74Å; F75-F230 HydrophobicContact CE1-CE1 4.08Å; F75-F230 AromaticContact CZ-CD1 3.74Å; F75-F230 HydrophobicContact CZ-CD1 3.74Å; F75-F230 AromaticContact CZ-CE1 3.74Å; F75-F230 HydrophobicContact CZ-CE1 3.74Å; H80-F230 HydrophobicContact CB-CD2 3.91Å; H80-F230 HydrophobicContact CB-CE2 3.79Å; H80-F230 HydrophobicContact CB-CG 4.39Å; H80-F230 HydrophobicContact CB-CZ 4.18Å; H80-F230 AromaticContact CG-CD2 3.86Å; H80-F230 AromaticContact CG-CG 3.92Å; H80-F230 AromaticContact ND1-CD2 3.8Å; H80-F230 AromaticContact ND1-CG 3.86Å; H80-F230 VanDerWaalsContact O-CZ 3.24Å; H80-F230 WeakPolarHBondContact O-CZ 3.17Å; H83-F230 HydrophobicContact CB-CE1 4.14Å; H83-F230 HydrophobicContact CB-CZ 4.43Å; A84-F230 HydrophobicContact CB-CE2 4.2Å; A84-F230 HydrophobicContact CB-CZ 3.89Å; I87-F230 HydrophobicContact CD1-CE1 4.35Å; K226-F230 WeakPolarHBondContact O-CB 3.31Å; K226-F230 PolarHBondContact O-N 3.29Å; D227-F230 WeakPolarHBondContact O-CB 3.43Å; D227-F230 PolarHBondContact O-N 3.49Å; F230-V232 VanDerWaalsContact C-N 3.34Å; F230-V232 PolarHBondContact O-N 2.64Å; F230-E233 PolarHBondContact O-N 2.78Å; F230-Q234 HydrophobicContact CD1-CG 4.12Å; F230-Q234 HydrophobicContact CD2-CG 4.1Å; F230-Q234 HydrophobicContact CE1-CG 3.66Å; F230-Q234 HydrophobicContact CE2-CG 3.65Å; F230-Q234 HydrophobicContact CG-CG 4.33Å; F230-Q234 HydrophobicContact CZ-CG 3.41Å; F230-Q234 VanDerWaalsContact CZ-CG 3.41Å; F230-Q234 WeakPolarHBondContact O-CB 3.2Å; F230-Q234 VanDerWaalsContact O-CG 3.32Å; F230-Q234 WeakPolarHBondContact O-CG 3.41Å; F230-Q234 PolarHBondContact O-N 3.45Å
231G98.6Very high97.3Very high1 Ų138.6 Ų38.61%0.0119%0.192CC..Hα-helixtrans-58.1-42.3174.600000113.4D227 L228 Q229 Q234 G235 V236D227-G231 PolarHBondContact O-N 3.19Å; L228-G231 WeakPolarHBondContact O-CA 3.47Å; L228-G231 PolarHBondContact O-N 3.35Å; L228-G231 VanDerWaalsContact O-N 3.15Å; Q229-G231 VanDerWaalsContact C-N 3.3Å; Q229-G231 PolarHBondContact O-N 3.08Å; G231-Q234 PolarHBondContact O-N 3.2Å; G231-G235 PolarHBondContact O-N 3Å; G231-V236 WeakPolarHBondContact O-CG2 3.33Å; G231-V236 PolarHBondContact O-N 2.93Å
232V98.6Very high97.5Very high20 Ų2037 Ų3712%0.12118%0.181CC..Hα-helixtrans-63.6-43.7175.2173.80000111.1L228 Q229 F230 G235 L257 R260 I264L228-V232 WeakPolarHBondContact O-CG2 3.45Å; L228-V232 PolarHBondContact O-N 3.22Å; Q229-V232 WeakPolarHBondContact O-CB 3.49Å; Q229-V232 PolarHBondContact O-N 2.83Å; Q229-V232 VanDerWaalsContact O-N 3.15Å; F230-V232 VanDerWaalsContact C-N 3.34Å; F230-V232 PolarHBondContact O-N 2.64Å; V232-G235 PolarHBondContact O-N 3.19Å; V232-L257 HydrophobicContact CG2-CB 4.36Å; V232-L257 HydrophobicContact CG2-CD2 3.59Å; V232-R260 HydrophobicContact CG1-CB 3.75Å; V232-I264 HydrophobicContact CG2-CD1 3.97Å
233E98.4Very high97.7Very high128 Ų12830.3 Ų30.360%0.59815%0.149SC*.Hα-helixtrans-64.1-41.7177.3-71.1175.6178.300112.3Q229 F230 G235Q229-E233 WeakPolarHBondContact O-CG 3.07Å; Q229-E233 PolarHBondContact O-N 3.27Å; F230-E233 PolarHBondContact O-N 2.78Å; E233-G235 PolarHBondContact O-N 3.44Å
234Q98.6Very high98Very high51 Ų5126.3 Ų26.324%0.23813%0.132CC..Hα-helixtrans-72.6-15.6176-68.1-60.2-40.200112.7I87 R91 F230 G231 V236I87-Q234 HydrophobicContact CD1-CB 3.75Å; I87-Q234 HydrophobicContact CD1-CG 3.84Å; R91-Q234 VanDerWaalsContact CZ-O 3.27Å; R91-Q234 PolarHBondContact NH1-O 2.66Å; R91-Q234 PolarHBondContact NH2-O 2.89Å; F230-Q234 HydrophobicContact CD1-CG 4.12Å; F230-Q234 HydrophobicContact CD2-CG 4.1Å; F230-Q234 HydrophobicContact CE1-CG 3.66Å; F230-Q234 HydrophobicContact CE2-CG 3.65Å; F230-Q234 HydrophobicContact CG-CG 4.33Å; F230-Q234 HydrophobicContact CZ-CG 3.41Å; F230-Q234 VanDerWaalsContact CZ-CG 3.41Å; F230-Q234 WeakPolarHBondContact O-CB 3.2Å; F230-Q234 VanDerWaalsContact O-CG 3.32Å; F230-Q234 WeakPolarHBondContact O-CG 3.41Å; F230-Q234 PolarHBondContact O-N 3.45Å; G231-Q234 PolarHBondContact O-N 3.2Å; Q234-V236 HydrophobicContact CB-CG1 4.48Å
235G98.3Very high98Very high28 Ų2827.7 Ų27.729%0.28914%0.137SC..THydrogen-bonded Turntrans70.345.9-17900000112.9R91 G231 V232 E233R91-G235 PolarHBondContact NH2-O 3.15Å; G231-G235 PolarHBondContact O-N 3Å; V232-G235 PolarHBondContact O-N 3.19Å; E233-G235 PolarHBondContact O-N 3.44Å
236V98.8Very high97.9Very high1 Ų128.4 Ų28.41%0.00614%0.138CC..  trans-64.3156.2171.5-56.60000110.8I87 V109 L111 G231 Q234 I264I87-V236 HydrophobicContact CD1-CG1 4.41Å; V109-V236 HydrophobicContact CG1-CB 4.46Å; V109-V236 HydrophobicContact CG1-CG1 4.04Å; L111-V236 HydrophobicContact CB-CG1 4.41Å; L111-V236 HydrophobicContact CB-CG2 4.31Å; G231-V236 WeakPolarHBondContact O-CG2 3.33Å; G231-V236 PolarHBondContact O-N 2.93Å; Q234-V236 HydrophobicContact CB-CG1 4.48Å; V236-I264 HydrophobicContact CG2-CD1 4.13Å; V236-I264 HydrophobicContact CG2-CG2 4.42Å; V236-I264 WeakPolarHBondContact O-CG1 3.08Å
237D98.9Very high97.9Very high1 Ų123.1 Ų23.11%0.00512%0.118CC..SBendtrans-93.1-27.1-174.7-60.5-63.7000112.4G108 V109 K265 R460 Q461G108-D237 WeakPolarHBondContact CA-OD2 3.23Å; V109-D237 PolarHBondContact N-OD2 3.07Å; V109-D237 PolarHBondContact O-N 3.22Å; D237-K265 PolarHBondContact O-N 3.19Å; D237-K265 VanDerWaalsContact O-N 3.15Å; D237-R460 IonicContact OD1-CZ 3.9Å; D237-R460 VanDerWaalsContact OD1-CZ 3.28Å; D237-R460 IonicContact OD1-NE 2.72Å; D237-R460 PolarHBondContact OD1-NE 3.32Å; D237-R460 IonicContact OD1-NH2 3.8Å; D237-R460 PolarHBondContact OD1-NH2 3.28Å; D237-R460 WeakPolarHBondContact OD2-CD 3.47Å; D237-R460 IonicContact OD2-NE 3.85Å; D237-R460 PolarHBondContact OD2-NE 3.43Å; D237-Q461 HydrophobicContact CB-CG 3.98Å; D237-Q461 PolarHBondContact O-NE2 3.42Å
238M98.9Very high97.9Very high0 Ų028 Ų280%014%0.144CC..EExtended strand (participates in β ladder)trans-154.4156.1-176.961.2-16073.200112.1I70 V109 A110 L111 F240 K265 L464I70-M238 HydrophobicContact CD1-CE 4.04Å; I70-M238 HydrophobicContact CD1-SD 3.95Å; I70-M238 HydrophobicContact CG1-CE 4.36Å; I70-M238 HydrophobicContact CG2-CE 4.48Å; I70-M238 HydrophobicContact CG2-SD 3.99Å; V109-M238 PolarHBondContact O-N 3.32Å; A110-M238 WeakPolarHBondContact CA-O 3.23Å; A110-M238 HydrophobicContact CB-CG 3.47Å; A110-M238 VanDerWaalsContact CB-CG 3.47Å; A110-M238 HydrophobicContact CB-SD 4.07Å; L111-M238 PolarHBondContact N-O 2.95Å; M238-F240 HydrophobicContact CG-CD1 4.4Å; M238-F240 HydrophobicContact CG-CE1 3.77Å; M238-F240 HydrophobicContact CG-CZ 4.37Å; M238-F240 HydrophobicContact SD-CE1 3.72Å; M238-F240 HydrophobicContact SD-CZ 4.06Å; M238-K265 CarbonylContact C-O 3.57Å; M238-K265 WeakPolarHBondContact CA-O 3.24Å; M238-K265 HydrophobicContact CB-CB 3.92Å; M238-K265 WeakPolarHBondContact CB-O 3.31Å; M238-L464 HydrophobicContact CE-CD1 3.85Å; M238-L464 HydrophobicContact CE-CD2 4.37Å; M238-L464 HydrophobicContact CE-CG 3.9Å; M238-L464 HydrophobicContact SD-CD1 3.91Å; M238-L464 HydrophobicContact SD-CD2 3.67Å; M238-L464 HydrophobicContact SD-CG 3.87Å
239V98.9Very high97.8Very high1 Ų128.8 Ų28.81%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-116.6128.2174.3171.10000108.3L111 T113 L228 A241 V253 L257 I264 K265 I267L111-V239 CarbonylContact O-C 3.57Å; L111-V239 VanDerWaalsContact O-CA 3.28Å; L111-V239 WeakPolarHBondContact O-CA 3.48Å; T113-V239 HydrophobicContact CG2-CG1 3.96Å; L228-V239 HydrophobicContact CD2-CB 4.36Å; L228-V239 HydrophobicContact CD2-CG1 3.66Å; L228-V239 HydrophobicContact CD2-CG2 3.74Å; V239-A241 HydrophobicContact CG1-CB 4.32Å; V239-V253 HydrophobicContact CG1-CG1 4.22Å; V239-L257 HydrophobicContact CG2-CD2 4.31Å; V239-I264 HydrophobicContact CG2-CG2 3.89Å; V239-K265 PolarHBondContact N-O 3.28Å; V239-I267 PolarHBondContact O-N 2.97Å
240F98.8Very high97.8Very high0 Ų024.2 Ų24.20%013%0.127CC..EExtended strand (participates in β ladder)trans-95.5101.5166.9-55-18.5000107.1I47 I70 R72 A110 L111 D112 T113 M238 I267 K269 M290I47-F240 HydrophobicContact CD1-CZ 4.1Å; I47-F240 HydrophobicContact CG2-CE2 4Å; I47-F240 HydrophobicContact CG2-CZ 4.27Å; I70-F240 HydrophobicContact CG2-CZ 4.49Å; R72-F240 HydrophobicContact CB-CE2 4.16Å; R72-F240 HydrophobicContact CG-CD2 4.14Å; R72-F240 HydrophobicContact CG-CE2 4.08Å; A110-F240 HydrophobicContact CB-CD1 4.21Å; A110-F240 HydrophobicContact CB-CD2 4.01Å; A110-F240 HydrophobicContact CB-CE1 3.72Å; A110-F240 HydrophobicContact CB-CE2 3.46Å; A110-F240 VanDerWaalsContact CB-CE2 3.46Å; A110-F240 HydrophobicContact CB-CG 4.38Å; A110-F240 HydrophobicContact CB-CZ 3.31Å; L111-F240 PolarHBondContact O-N 3.34Å; D112-F240 WeakPolarHBondContact CA-O 3.2Å; D112-F240 HydrophobicContact CB-CB 4.05Å; D112-F240 HydrophobicContact CB-CD2 4.24Å; T113-F240 PolarHBondContact N-O 3.38Å; T113-F240 PolarHBondContact OG1-O 3.08Å; M238-F240 HydrophobicContact CG-CD1 4.4Å; M238-F240 HydrophobicContact CG-CE1 3.77Å; M238-F240 HydrophobicContact CG-CZ 4.37Å; M238-F240 HydrophobicContact SD-CE1 3.72Å; M238-F240 HydrophobicContact SD-CZ 4.06Å; F240-I267 CarbonylContact C-O 3.55Å; F240-I267 WeakPolarHBondContact CA-O 3.46Å; F240-I267 HydrophobicContact CD1-CB 3.7Å; F240-I267 HydrophobicContact CD1-CG1 3.79Å; F240-I267 HydrophobicContact CD1-CG2 4.28Å; F240-I267 HydrophobicContact CE1-CB 4.18Å; F240-I267 HydrophobicContact CE1-CG1 3.82Å; F240-K269 HydrophobicContact CB-CD 3.99Å; F240-K269 HydrophobicContact CB-CG 4.3Å; F240-M290 HydrophobicContact CB-CE 4.37Å; F240-M290 HydrophobicContact CD1-CE 4.19Å; F240-M290 HydrophobicContact CD2-CE 3.43Å; F240-M290 VanDerWaalsContact CD2-CE 3.43Å; F240-M290 HydrophobicContact CE1-CE 4.28Å; F240-M290 HydrophobicContact CE2-CE 3.55Å; F240-M290 HydrophobicContact CG-CE 3.76Å; F240-M290 HydrophobicContact CZ-CE 3.97Å
241A98.3Very high97.8Very high1 Ų128.1 Ų28.11%0.00815%0.145CC..EExtended strand (participates in β ladder)trans-88.8117.9-173.200000110.1T113 V239 I244 V253 I266 I267 K269T113-A241 WeakPolarHBondContact OG1-CA 3.28Å; V239-A241 HydrophobicContact CG1-CB 4.32Å; A241-I244 HydrophobicContact CB-CD1 3.91Å; A241-I244 HydrophobicContact CB-CG1 3.89Å; A241-I244 WeakPolarHBondContact O-CG1 3.23Å; A241-V253 HydrophobicContact CB-CG2 4.11Å; A241-I266 HydrophobicContact CB-CG2 4.38Å; A241-I267 PolarHBondContact N-O 2.96Å; A241-K269 VanDerWaalsContact O-CB 3.3Å; A241-K269 WeakPolarHBondContact O-CB 3.46Å; A241-K269 PolarHBondContact O-N 3.12Å
242S96.8Very high97.8Very high2 Ų230 Ų301%0.01416%0.16CC..THydrogen-bonded Turntrans-80.2145.9-173.7-56.90000112.4D112 T113 I244 K269 E271D112-S242 PolarHBondContact OD1-OG 2.95Å; T113-S242 PolarHBondContact O-OG 2.97Å; T113-S242 PolarHBondContact OG1-N 3.41Å; T113-S242 PolarHBondContact OG1-OG 3.34Å; S242-I244 VanDerWaalsContact C-N 3.28Å; S242-I244 PolarHBondContact O-N 3.29Å; S242-K269 PolarHBondContact OG-NZ 3.01Å; S242-E271 WeakPolarHBondContact CA-OE1 3.3Å
243F95.1Very high97.8Very high14 Ų1429.2 Ų29.26%0.06116%0.155CC..THydrogen-bonded Turntrans52.338.8175.4-58.9-89000113.9P116 E117 R245 E271 D295P116-F243 HydrophobicContact CG-CB 3.63Å; P116-F243 HydrophobicContact CG-CD2 4.29Å; P116-F243 HydrophobicContact CG-CG 4.16Å; E117-F243 HydrophobicContact CG-CE2 3.77Å; E117-F243 HydrophobicContact CG-CZ 4.37Å; F243-R245 WeakPolarHBondContact O-CG 3.29Å; F243-R245 PolarHBondContact O-N 2.91Å; F243-E271 HydrophobicContact CB-CG 4.41Å; F243-E271 HydrophobicContact CD1-CG 3.57Å; F243-E271 HydrophobicContact CD2-CG 4.48Å; F243-E271 HydrophobicContact CE1-CG 3.83Å; F243-E271 HydrophobicContact CG-CG 3.91Å; F243-E271 HydrophobicContact CZ-CG 4.38Å; F243-E271 PolarHBondContact N-OE1 3.39Å; F243-D295 HydrophobicContact CE1-CB 4.16Å; F243-D295 HydrophobicContact CZ-CB 4.28Å
244I97.2Very high97.7Very high1 Ų126.9 Ų26.91%0.00514%0.141CC..  trans-64.2125.8174-65.3-65.6000109.4A241 S242 D249 V250 I282A241-I244 HydrophobicContact CB-CD1 3.91Å; A241-I244 HydrophobicContact CB-CG1 3.89Å; A241-I244 WeakPolarHBondContact O-CG1 3.23Å; S242-I244 VanDerWaalsContact C-N 3.28Å; S242-I244 PolarHBondContact O-N 3.29Å; I244-D249 HydrophobicContact CD1-CB 3.63Å; I244-D249 HydrophobicContact CG2-CB 4.36Å; I244-V250 HydrophobicContact CD1-CG2 4.42Å; I244-V250 HydrophobicContact CG2-CG2 3.69Å; I244-I282 HydrophobicContact CG2-CB 4.44Å; I244-I282 HydrophobicContact CG2-CD1 4.04Å; I244-I282 HydrophobicContact CG2-CG1 3.91Å; I244-I282 HydrophobicContact CG2-CG2 3.66Å
245R95Very high97.7Very high31 Ų3128 Ų2812%0.11716%0.16CC..  trans-112.6-28.1-176.7-69.5168-166.8163.12.7112.6V215 F243 D249 N272 E274 R278V215-R245 PolarHBondContact O-NH1 2.99Å; F243-R245 WeakPolarHBondContact O-CG 3.29Å; F243-R245 PolarHBondContact O-N 2.91Å; R245-D249 WeakPolarHBondContact CB-OD2 3.44Å; R245-D249 PolarHBondContact N-OD2 3.24Å; R245-N272 VanDerWaalsContact CG-ND2 3.33Å; R245-N272 WeakPolarHBondContact CG-ND2 3.43Å; R245-E274 HydrophobicContact CB-CB 4.39Å; R245-E274 HydrophobicContact CB-CG 4.13Å; R245-E274 WeakPolarHBondContact CD-OE2 3.4Å; R245-E274 HydrophobicContact CG-CB 4.34Å; R245-R278 WeakPolarHBondContact O-CB 3.08Å; R245-R278 VanDerWaalsContact O-CD 3.27Å; R245-R278 WeakPolarHBondContact O-CD 3.27Å
246K95.5Very high97.7Very high74 Ų7428.5 Ų28.532%0.32216%0.156SC..SBendtrans-151.1166.2-175.954.3-179.1175.3-179.80111.9D248 D249 E281K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 HydrophobicContact CD-CB 4.21Å; K246-D248 HydrophobicContact CG-CB 4.29Å; K246-D248 PolarHBondContact O-N 3.16Å; K246-D249 WeakPolarHBondContact CE-OD1 3.33Å; K246-D249 WeakPolarHBondContact CG-OD1 3.43Å; K246-D249 WeakPolarHBondContact CG-OD2 3.27Å; K246-D249 PolarHBondContact N-OD2 3.39Å; K246-D249 VanDerWaalsContact N-OD2 3.07Å; K246-D249 WeakPolarHBondContact O-CB 3.38Å; K246-D249 PolarHBondContact O-N 3.37Å; K246-D249 VanDerWaalsContact O-N 3.15Å; K246-E281 VanDerWaalsContact CA-OE1 3.28Å; K246-E281 WeakPolarHBondContact CA-OE1 3.43Å; K246-E281 VanDerWaalsContact CB-OE1 3.26Å; K246-E281 WeakPolarHBondContact CB-OE1 3.44Å
247A97.9Very high97.6Very high15 Ų1528.8 Ų28.812%0.12416%0.158CC..Hα-helixtrans-57.6-38.1179.100000113.4D249 V250 H251 E281 A285A247-D249 PolarHBondContact O-N 3.33Å; A247-V250 WeakPolarHBondContact O-CB 3.14Å; A247-V250 PolarHBondContact O-N 3.11Å; A247-H251 PolarHBondContact O-CD2 3.41Å; A247-H251 PolarHBondContact O-N 2.85Å; A247-E281 HydrophobicContact CB-CB 4.14Å; A247-E281 HydrophobicContact CB-CG 4.38Å; A247-E281 PolarHBondContact N-OE1 3.17Å; A247-E281 VanDerWaalsContact N-OE1 3.15Å; A247-A285 HydrophobicContact CB-CB 4.03Å
248D97.4Very high97.6Very high107 Ų10730.4 Ų30.457%0.57218%0.175SC*.Hα-helixtrans-57.3-33.6178.3-70.8-20.2000113K246 V250 H251 A252K246-D248 VanDerWaalsContact C-N 3.28Å; K246-D248 HydrophobicContact CD-CB 4.21Å; K246-D248 HydrophobicContact CG-CB 4.29Å; K246-D248 PolarHBondContact O-N 3.16Å; D248-V250 VanDerWaalsContact C-N 3.32Å; D248-V250 PolarHBondContact O-N 3.26Å; D248-H251 PolarHBondContact O-N 3.05Å; D248-A252 WeakPolarHBondContact O-CB 3.28Å; D248-A252 PolarHBondContact O-N 3.38Å
249D97.4Very high97.5Very high17 Ų1737 Ų379%0.09121%0.206CC..Hα-helixtrans-65.8-40177.9-56.8-22.8000110.5A219 I244 R245 K246 A247 A252 V253A219-D249 HydrophobicContact CB-CB 3.5Å; A219-D249 VanDerWaalsContact CB-CB 3.5Å; I244-D249 HydrophobicContact CD1-CB 3.63Å; I244-D249 HydrophobicContact CG2-CB 4.36Å; R245-D249 WeakPolarHBondContact CB-OD2 3.44Å; R245-D249 PolarHBondContact N-OD2 3.24Å; K246-D249 WeakPolarHBondContact CE-OD1 3.33Å; K246-D249 WeakPolarHBondContact CG-OD1 3.43Å; K246-D249 WeakPolarHBondContact CG-OD2 3.27Å; K246-D249 PolarHBondContact N-OD2 3.39Å; K246-D249 VanDerWaalsContact N-OD2 3.07Å; K246-D249 WeakPolarHBondContact O-CB 3.38Å; K246-D249 PolarHBondContact O-N 3.37Å; K246-D249 VanDerWaalsContact O-N 3.15Å; A247-D249 PolarHBondContact O-N 3.33Å; D249-A252 WeakPolarHBondContact O-CB 3.38Å; D249-A252 PolarHBondContact O-N 2.95Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.29Å; D249-V253 VanDerWaalsContact O-N 3.09Å
250V98.4Very high97.4Very high0 Ų046.5 Ų46.50%024%0.241CC..Hα-helixtrans-65.5-41.9176.1-170.50000110.5I244 A247 D248 A252 V253 R254 I266 S268 I282 A285 S286I244-V250 HydrophobicContact CD1-CG2 4.42Å; I244-V250 HydrophobicContact CG2-CG2 3.69Å; A247-V250 WeakPolarHBondContact O-CB 3.14Å; A247-V250 PolarHBondContact O-N 3.11Å; D248-V250 VanDerWaalsContact C-N 3.32Å; D248-V250 PolarHBondContact O-N 3.26Å; V250-A252 VanDerWaalsContact C-N 3.32Å; V250-V253 PolarHBondContact O-N 3.41Å; V250-R254 PolarHBondContact O-N 3.07Å; V250-I266 HydrophobicContact CG1-CG2 3.98Å; V250-S268 WeakPolarHBondContact CG2-OG 3.43Å; V250-I282 HydrophobicContact CG2-CG2 4.26Å; V250-A285 HydrophobicContact CB-CB 3.92Å; V250-A285 HydrophobicContact CG1-CB 4.05Å; V250-A285 HydrophobicContact CG2-CB 4.25Å; V250-S286 WeakPolarHBondContact CG1-OG 3.25Å; V250-S286 WeakPolarHBondContact CG2-OG 3.48Å
251H98.3Very high97.4Very high97 Ų9746.5 Ų46.545%0.44924%0.242SC..Hα-helixtrans-64.1-37.5175.4-64.1-46.7000112.1A247 D248 R254 A255A247-H251 PolarHBondContact O-CD2 3.41Å; A247-H251 PolarHBondContact O-N 2.85Å; D248-H251 PolarHBondContact O-N 3.05Å; H251-R254 PolarHBondContact O-N 2.91Å; H251-A255 WeakPolarHBondContact O-CB 3.23Å; H251-A255 PolarHBondContact O-N 3.09Å
252A97.8Very high97.4Very high40 Ų4051.9 Ų51.933%0.33127%0.265SS..Hα-helixtrans-62-46.7175.200000111.6V220 D248 D249 V250 R254 A255 V256V220-A252 HydrophobicContact CG2-CB 4.05Å; D248-A252 WeakPolarHBondContact O-CB 3.28Å; D248-A252 PolarHBondContact O-N 3.38Å; D249-A252 WeakPolarHBondContact O-CB 3.38Å; D249-A252 PolarHBondContact O-N 2.95Å; V250-A252 VanDerWaalsContact C-N 3.32Å; A252-R254 VanDerWaalsContact C-N 3.33Å; A252-R254 PolarHBondContact O-N 2.86Å; A252-A255 PolarHBondContact O-N 3.35Å; A252-V256 WeakPolarHBondContact O-CG2 3.48Å; A252-V256 PolarHBondContact O-N 3.18Å; A252-V256 VanDerWaalsContact O-N 3.11Å
253V98.3Very high97.4Very high4 Ų456 Ų562%0.02429%0.287CS..Hα-helixtrans-58-46.7173.6176.60000110.5V220 L228 V239 A241 D249 V250 A255 V256 L257 I266V220-V253 HydrophobicContact CG2-CG2 3.6Å; L228-V253 HydrophobicContact CD1-CG1 4.18Å; L228-V253 HydrophobicContact CD2-CG1 4.23Å; V239-V253 HydrophobicContact CG1-CG1 4.22Å; A241-V253 HydrophobicContact CB-CG2 4.11Å; D249-V253 WeakPolarHBondContact O-CG2 3.33Å; D249-V253 PolarHBondContact O-N 3.29Å; D249-V253 VanDerWaalsContact O-N 3.09Å; V250-V253 PolarHBondContact O-N 3.41Å; V253-A255 VanDerWaalsContact C-N 3.35Å; V253-A255 PolarHBondContact O-N 3.13Å; V253-V256 PolarHBondContact O-N 3.11Å; V253-L257 HydrophobicContact CG1-CD1 4.45Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 2.83Å; V253-I266 HydrophobicContact CB-CD1 4.28Å; V253-I266 HydrophobicContact CG1-CD1 3.95Å; V253-I266 HydrophobicContact CG1-CG1 4.26Å; V253-I266 HydrophobicContact CG1-CG2 4.19Å
254R98.3Very high97.6Very high79 Ų7955.6 Ų55.630%0.29829%0.285SS..Hα-helixtrans-61.8-40.6180-164.9171.8-64.1-76.52.7112.7V250 H251 A252 L257 I266 D287V250-R254 PolarHBondContact O-N 3.07Å; H251-R254 PolarHBondContact O-N 2.91Å; A252-R254 VanDerWaalsContact C-N 3.33Å; A252-R254 PolarHBondContact O-N 2.86Å; R254-L257 PolarHBondContact O-N 3.14Å; R254-I266 HydrophobicContact CB-CD1 3.51Å; R254-I266 HydrophobicContact CG-CD1 4Å; R254-D287 IonicContact CZ-OD2 3.58Å; R254-D287 IonicContact NH1-OD2 3.72Å; R254-D287 PolarHBondContact NH1-OD2 3.46Å; R254-D287 IonicContact NH2-OD2 2.81Å; R254-D287 PolarHBondContact NH2-OD2 2.72Å
255A97.9Very high97.7Very high76 Ų7657.7 Ų57.763%0.62829%0.294SS*.Hα-helixtrans-64.1-41.2178.400000111.7H251 A252 V253 L257 G258H251-A255 WeakPolarHBondContact O-CB 3.23Å; H251-A255 PolarHBondContact O-N 3.09Å; A252-A255 PolarHBondContact O-N 3.35Å; V253-A255 VanDerWaalsContact C-N 3.35Å; V253-A255 PolarHBondContact O-N 3.13Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.45Å; A255-G258 PolarHBondContact O-N 2.89Å
256V97.5Very high97.9Very high37 Ų3756.2 Ų56.222%0.22429%0.289CS..Hα-helixtrans-65-35.9178.9170.30000112.4V220 I225 L228 A252 V253 G258V220-V256 HydrophobicContact CG1-CG2 4.41Å; I225-V256 HydrophobicContact CB-CG1 4.31Å; I225-V256 HydrophobicContact CG1-CG1 4.28Å; I225-V256 HydrophobicContact CG1-CG2 4.01Å; I225-V256 HydrophobicContact CG2-CG1 4.03Å; L228-V256 HydrophobicContact CB-CG1 3.84Å; L228-V256 HydrophobicContact CD1-CB 4.19Å; L228-V256 HydrophobicContact CD1-CG1 3.79Å; L228-V256 HydrophobicContact CG-CG1 4.48Å; A252-V256 WeakPolarHBondContact O-CG2 3.48Å; A252-V256 PolarHBondContact O-N 3.18Å; A252-V256 VanDerWaalsContact O-N 3.11Å; V253-V256 PolarHBondContact O-N 3.11Å; V256-G258 PolarHBondContact O-N 3.04Å
257L98.1Very high98Very high7 Ų752.7 Ų52.74%0.03727%0.274CS..Hα-helixtrans-64.4-26.6176.1-66.8174.9000112.8L228 V232 V239 V253 R254 A255 G261 I264 I266L228-L257 HydrophobicContact CB-CD2 4.27Å; L228-L257 HydrophobicContact CD2-CD2 4.18Å; V232-L257 HydrophobicContact CG2-CB 4.36Å; V232-L257 HydrophobicContact CG2-CD2 3.59Å; V239-L257 HydrophobicContact CG2-CD2 4.31Å; V253-L257 HydrophobicContact CG1-CD1 4.45Å; V253-L257 WeakPolarHBondContact O-CG 3.22Å; V253-L257 PolarHBondContact O-N 2.83Å; R254-L257 PolarHBondContact O-N 3.14Å; A255-L257 VanDerWaalsContact C-N 3.34Å; A255-L257 PolarHBondContact O-N 3.45Å; L257-G261 WeakPolarHBondContact O-CA 3.44Å; L257-G261 PolarHBondContact O-N 3.2Å; L257-G261 VanDerWaalsContact O-N 3.11Å; L257-I264 HydrophobicContact CD1-CB 4.24Å; L257-I264 HydrophobicContact CD1-CG2 4.27Å; L257-I264 HydrophobicContact CD2-CD1 4.31Å; L257-I266 HydrophobicContact CD1-CD1 4.14Å; L257-I266 HydrophobicContact CD1-CG1 4.09Å
258G97.4Very high98.1Very high35 Ų3552 Ų5236%0.36127%0.268SS..Hα-helixtrans59.3-167.6176.900000114.6A255 V256 R260 G261 K262A255-G258 PolarHBondContact O-N 2.89Å; V256-G258 PolarHBondContact O-N 3.04Å; G258-R260 VanDerWaalsContact C-N 3.31Å; G258-R260 PolarHBondContact O-N 3.25Å; G258-G261 PolarHBondContact O-N 2.84Å; G258-K262 PolarHBondContact O-N 2.97Å; G258-K262 VanDerWaalsContact O-N 3.12Å
259E97.6Very high98.1Very high138 Ų13847.7 Ų47.765%0.64524%0.244SC*.Hα-helixtrans-64.7-34.2-175-175.858.4-159.200113G261 K262E259-G261 VanDerWaalsContact C-N 3.33Å; E259-K262 WeakPolarHBondContact O-CG 3.33Å; E259-K262 VanDerWaalsContact OE1-CD 3.31Å; E259-K262 WeakPolarHBondContact OE1-CD 3.36Å; E259-K262 WeakPolarHBondContact OE1-CE 3.49Å; E259-K262 IonicContact OE1-NZ 2.66Å; E259-K262 PolarHBondContact OE1-NZ 2.83Å
260R97.2Very high98.1Very high201 Ų20146.9 Ų46.976%0.75824%0.24SC*.Hα-helixtrans-67.4-33.8176.8-71.1178.564.2-167.1-2.5112.3V232 G258V232-R260 HydrophobicContact CG1-CB 3.75Å; G258-R260 VanDerWaalsContact C-N 3.31Å; G258-R260 PolarHBondContact O-N 3.25Å
261G98Very high98Very high1 Ų147 Ų471%0.0124%0.24CC..Hα-helixtrans-95.24.1-179.400000114.7L257 G258 E259 N263 I264L257-G261 WeakPolarHBondContact O-CA 3.44Å; L257-G261 PolarHBondContact O-N 3.2Å; L257-G261 VanDerWaalsContact O-N 3.11Å; G258-G261 PolarHBondContact O-N 2.84Å; E259-G261 VanDerWaalsContact C-N 3.33Å; G261-N263 PolarHBondContact O-N 2.97Å; G261-I264 VanDerWaalsContact O-CB 3.28Å; G261-I264 WeakPolarHBondContact O-CB 3.46Å; G261-I264 WeakPolarHBondContact O-CG1 3.17Å; G261-I264 PolarHBondContact O-N 2.91Å
262K97.9Very high97.7Very high113 Ų11342.8 Ų42.849%0.49122%0.221SC..THydrogen-bonded Turntrans-55.3-25.8-171.272.4-177.4175.5-175.80116G258 E259G258-K262 PolarHBondContact O-N 2.97Å; G258-K262 VanDerWaalsContact O-N 3.12Å; E259-K262 WeakPolarHBondContact O-CG 3.33Å; E259-K262 VanDerWaalsContact OE1-CD 3.31Å; E259-K262 WeakPolarHBondContact OE1-CD 3.36Å; E259-K262 WeakPolarHBondContact OE1-CE 3.49Å; E259-K262 IonicContact OE1-NZ 2.66Å; E259-K262 PolarHBondContact OE1-NZ 2.83Å
263N98.1Very high97.5Very high88 Ų8844.3 Ų44.347%0.47122%0.221SC..THydrogen-bonded Turntrans-93.5-7.4-179.1-67.6-28.7000113.3G261 Q461G261-N263 PolarHBondContact O-N 2.97Å; N263-Q461 PolarHBondContact O-NE2 3.19Å
264I98.8Very high97.2Very high7 Ų747.4 Ų47.44%0.03624%0.235CC..SBendtrans-67.4132.5175.5-62.4177.3000108.3V232 V236 V239 L257 G261V232-I264 HydrophobicContact CG2-CD1 3.97Å; V236-I264 HydrophobicContact CG2-CD1 4.13Å; V236-I264 HydrophobicContact CG2-CG2 4.42Å; V236-I264 WeakPolarHBondContact O-CG1 3.08Å; V239-I264 HydrophobicContact CG2-CG2 3.89Å; L257-I264 HydrophobicContact CD1-CB 4.24Å; L257-I264 HydrophobicContact CD1-CG2 4.27Å; L257-I264 HydrophobicContact CD2-CD1 4.31Å; G261-I264 VanDerWaalsContact O-CB 3.28Å; G261-I264 WeakPolarHBondContact O-CB 3.46Å; G261-I264 WeakPolarHBondContact O-CG1 3.17Å; G261-I264 PolarHBondContact O-N 2.91Å
265K98.9Very high97.1Very high44 Ų4443.7 Ų43.719%0.19122%0.221CC..EExtended strand (participates in β ladder)trans-78.9131.7-179.2-59-50.8-170.3178.30110.9D237 M238 V239 I267 D287 Q461 L464D237-K265 PolarHBondContact O-N 3.19Å; D237-K265 VanDerWaalsContact O-N 3.15Å; M238-K265 CarbonylContact C-O 3.57Å; M238-K265 WeakPolarHBondContact CA-O 3.24Å; M238-K265 HydrophobicContact CB-CB 3.92Å; M238-K265 WeakPolarHBondContact CB-O 3.31Å; V239-K265 PolarHBondContact N-O 3.28Å; K265-I267 HydrophobicContact CB-CD1 4.42Å; K265-D287 HydrophobicContact CB-CB 4.01Å; K265-D287 HydrophobicContact CD-CB 3.91Å; K265-D287 WeakPolarHBondContact CD-OD1 3.39Å; K265-D287 IonicContact NZ-OD1 3.76Å; K265-D287 PolarHBondContact NZ-OD1 2.91Å; K265-Q461 HydrophobicContact CG-CB 4.47Å; K265-Q461 HydrophobicContact CG-CG 4.11Å; K265-L464 HydrophobicContact CB-CD1 4.09Å; K265-L464 HydrophobicContact CG-CD1 4.11Å
266I98.9Very high97Very high0 Ų041.4 Ų41.40%020%0.2CC..EExtended strand (participates in β ladder)trans-99.1112174.2-55176.1000108.8A241 V250 V253 R254 L257 D287 G288A241-I266 HydrophobicContact CB-CG2 4.38Å; V250-I266 HydrophobicContact CG1-CG2 3.98Å; V253-I266 HydrophobicContact CB-CD1 4.28Å; V253-I266 HydrophobicContact CG1-CD1 3.95Å; V253-I266 HydrophobicContact CG1-CG1 4.26Å; V253-I266 HydrophobicContact CG1-CG2 4.19Å; R254-I266 HydrophobicContact CB-CD1 3.51Å; R254-I266 HydrophobicContact CG-CD1 4Å; L257-I266 HydrophobicContact CD1-CD1 4.14Å; L257-I266 HydrophobicContact CD1-CG1 4.09Å; I266-D287 PolarHBondContact N-OD2 2.98Å; I266-D287 WeakPolarHBondContact O-CB 3.16Å; I266-D287 PolarHBondContact O-N 3.28Å; I266-G288 PolarHBondContact O-N 3.03Å
267I98.9Very high97Very high1 Ų149 Ų491%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-102.2111.3174.6-47.6-56.8000107.6V239 F240 A241 K265 G288 M290 L464V239-I267 PolarHBondContact O-N 2.97Å; F240-I267 CarbonylContact C-O 3.55Å; F240-I267 WeakPolarHBondContact CA-O 3.46Å; F240-I267 HydrophobicContact CD1-CB 3.7Å; F240-I267 HydrophobicContact CD1-CG1 3.79Å; F240-I267 HydrophobicContact CD1-CG2 4.28Å; F240-I267 HydrophobicContact CE1-CB 4.18Å; F240-I267 HydrophobicContact CE1-CG1 3.82Å; A241-I267 PolarHBondContact N-O 2.96Å; K265-I267 HydrophobicContact CB-CD1 4.42Å; I267-G288 WeakPolarHBondContact CA-O 3.39Å; I267-M290 HydrophobicContact CG2-CB 4Å; I267-L464 HydrophobicContact CD1-CD1 3.99Å; I267-L464 HydrophobicContact CD1-CD2 4.15Å; I267-L464 HydrophobicContact CG1-CD2 4.34Å
268S98.8Very high96.9Very high0 Ų053.3 Ų53.30%024%0.24CC..EExtended strand (participates in β ladder)trans-78.8126.6179.1-66.50000110.3V250 L270 S286 G288 I289 M290V250-S268 WeakPolarHBondContact CG2-OG 3.43Å; S268-L270 WeakPolarHBondContact O-CD2 3.45Å; S268-S286 PolarHBondContact OG-OG 2.91Å; S268-G288 PolarHBondContact N-O 3.48Å; S268-I289 CarbonylContact O-C 3.41Å; S268-I289 WeakPolarHBondContact O-CA 3.49Å; S268-M290 PolarHBondContact O-N 2.78Å
269K98.6Very high97Very high17 Ų1751.6 Ų51.67%0.07422%0.223CC..EExtended strand (participates in β ladder)trans-84.9120.9172.7-65167.957.3-171.60108.9D112 F240 A241 S242 E271 M290 A292D112-K269 IonicContact OD1-NZ 3.69Å; D112-K269 PolarHBondContact OD1-NZ 3.14Å; D112-K269 IonicContact OD2-NZ 2.71Å; D112-K269 PolarHBondContact OD2-NZ 3.13Å; F240-K269 HydrophobicContact CB-CD 3.99Å; F240-K269 HydrophobicContact CB-CG 4.3Å; A241-K269 VanDerWaalsContact O-CB 3.3Å; A241-K269 WeakPolarHBondContact O-CB 3.46Å; A241-K269 PolarHBondContact O-N 3.12Å; S242-K269 PolarHBondContact OG-NZ 3.01Å; K269-E271 VanDerWaalsContact CB-OE1 3.28Å; K269-E271 WeakPolarHBondContact CB-OE1 3.41Å; K269-E271 WeakPolarHBondContact CE-OE1 3.45Å; K269-E271 IonicContact NZ-OE1 2.66Å; K269-M290 HydrophobicContact CD-SD 4.39Å; K269-M290 HydrophobicContact CG-CB 4.06Å; K269-M290 HydrophobicContact CG-CG 4.39Å; K269-M290 HydrophobicContact CG-SD 3.97Å; K269-A292 HydrophobicContact CB-CB 4.09Å
270L97.6Very high97Very high0 Ų049 Ų490%021%0.213CC..EExtended strand (participates in β ladder)trans-98.5102179-82-66.9000108.1S268 G275 F279 I282 I289 M290 A292 M312S268-L270 WeakPolarHBondContact O-CD2 3.45Å; L270-G275 VanDerWaalsContact CD1-O 3.27Å; L270-G275 WeakPolarHBondContact CD1-O 3.43Å; L270-F279 HydrophobicContact CD1-CD2 4.32Å; L270-F279 HydrophobicContact CG-CD2 4.09Å; L270-F279 HydrophobicContact CG-CE2 4.4Å; L270-I282 HydrophobicContact CD1-CD1 3.89Å; L270-I282 HydrophobicContact CD2-CG2 4.15Å; L270-I289 HydrophobicContact CD2-CD1 3.94Å; L270-I289 HydrophobicContact CD2-CG2 3.63Å; L270-I289 HydrophobicContact CG-CG2 4.13Å; L270-M290 PolarHBondContact N-O 2.94Å; L270-A292 PolarHBondContact O-N 3.09Å; L270-M312 HydrophobicContact CB-CE 4.36Å; L270-M312 HydrophobicContact CB-SD 3.51Å; L270-M312 VanDerWaalsContact CB-SD 3.51Å; L270-M312 HydrophobicContact CG-SD 3.8Å
271E95.1Very high97.1Very high2 Ų243 Ų431%0.00919%0.194CC..  trans-137.29-169.459.6-160.6131.500115S242 F243 K269 A292 D295 L296 E299S242-E271 WeakPolarHBondContact CA-OE1 3.3Å; F243-E271 HydrophobicContact CB-CG 4.41Å; F243-E271 HydrophobicContact CD1-CG 3.57Å; F243-E271 HydrophobicContact CD2-CG 4.48Å; F243-E271 HydrophobicContact CE1-CG 3.83Å; F243-E271 HydrophobicContact CG-CG 3.91Å; F243-E271 HydrophobicContact CZ-CG 4.38Å; F243-E271 PolarHBondContact N-OE1 3.39Å; K269-E271 VanDerWaalsContact CB-OE1 3.28Å; K269-E271 WeakPolarHBondContact CB-OE1 3.41Å; K269-E271 WeakPolarHBondContact CE-OE1 3.45Å; K269-E271 IonicContact NZ-OE1 2.66Å; E271-A292 HydrophobicContact CB-CB 3.9Å; E271-D295 HydrophobicContact CB-CB 3.79Å; E271-D295 HydrophobicContact CG-CB 4.29Å; E271-D295 CarbonylContact O-C 3.53Å; E271-L296 WeakPolarHBondContact O-CA 3.45Å; E271-L296 PolarHBondContact O-N 2.98Å; E271-E299 WeakPolarHBondContact O-CG 3.47Å
272N92.7Very high97.1Very high8 Ų843 Ų434%0.04319%0.193CC..SBendtrans-141.3167.8173.664.352.8000111.7R245 E274 G275 V276 E299R245-N272 VanDerWaalsContact CG-ND2 3.33Å; R245-N272 WeakPolarHBondContact CG-ND2 3.43Å; N272-E274 PolarHBondContact O-N 3.39Å; N272-E274 PolarHBondContact OD1-N 3.43Å; N272-G275 PolarHBondContact O-N 2.88Å; N272-G275 PolarHBondContact OD1-N 3.25Å; N272-V276 WeakPolarHBondContact O-CG2 3.46Å; N272-V276 PolarHBondContact O-N 3.43Å; N272-E299 HydrophobicContact CB-CB 4.31Å; N272-E299 HydrophobicContact CB-CG 4.05Å
273H92.4Very high97.1Very high73 Ų7338.8 Ų38.834%0.33818%0.176SC..Hα-helixtrans-63.8-37.9-177.1-168.6175.7000112.9V276 R277 I300H273-V276 PolarHBondContact O-N 3.24Å; H273-R277 PolarHBondContact CE1-NH2 3.45Å; H273-R277 PolarHBondContact NE2-NE 3.49Å; H273-R277 PolarHBondContact NE2-NH2 2.8Å; H273-R277 PolarHBondContact O-N 3.06Å; H273-I300 HydrophobicContact CB-CG2 3.91Å
274E92.2Very high97.2Very high69 Ų6942.1 Ų42.132%0.32219%0.188SC..Hα-helixtrans-64.1-46.1179.7-175.3172.7-161.600111.5R245 N272 V276 R277 R278R245-E274 HydrophobicContact CB-CB 4.39Å; R245-E274 HydrophobicContact CB-CG 4.13Å; R245-E274 WeakPolarHBondContact CD-OE2 3.4Å; R245-E274 HydrophobicContact CG-CB 4.34Å; N272-E274 PolarHBondContact O-N 3.39Å; N272-E274 PolarHBondContact OD1-N 3.43Å; E274-V276 VanDerWaalsContact C-N 3.29Å; E274-V276 PolarHBondContact O-N 3.38Å; E274-R277 WeakPolarHBondContact O-CB 3.46Å; E274-R277 PolarHBondContact O-N 2.81Å; E274-R278 HydrophobicContact CG-CG 4.47Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 3.18Å; E274-R278 IonicContact OE1-NE 3.1Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 VanDerWaalsContact OE1-NE 3.1Å; E274-R278 IonicContact OE1-NH2 2.79Å; E274-R278 PolarHBondContact OE1-NH2 3.19Å
275G95.6Very high97.2Very high0 Ų042.5 Ų42.50%019%0.193CC..Hα-helixtrans-59.3-39.5176.600000112.2L270 N272 R277 R278 F279L270-G275 VanDerWaalsContact CD1-O 3.27Å; L270-G275 WeakPolarHBondContact CD1-O 3.43Å; N272-G275 PolarHBondContact O-N 2.88Å; N272-G275 PolarHBondContact OD1-N 3.25Å; G275-R277 PolarHBondContact O-N 2.94Å; G275-R278 CarbonylContact O-C 3.45Å; G275-R278 PolarHBondContact O-N 2.91Å; G275-F279 WeakPolarHBondContact O-CA 3.34Å; G275-F279 PolarHBondContact O-N 3.13Å
276V97Very high97.1Very high29 Ų2940.5 Ų40.518%0.17619%0.185CC..Hα-helixtrans-64.4-39174.7174.60000111.7N272 H273 E274 F279 L296 A308 M311N272-V276 WeakPolarHBondContact O-CG2 3.46Å; N272-V276 PolarHBondContact O-N 3.43Å; H273-V276 PolarHBondContact O-N 3.24Å; E274-V276 VanDerWaalsContact C-N 3.29Å; E274-V276 PolarHBondContact O-N 3.38Å; V276-F279 WeakPolarHBondContact O-CB 3.41Å; V276-L296 HydrophobicContact CG2-CD1 3.86Å; V276-A308 HydrophobicContact CG2-CB 4.45Å; V276-M311 HydrophobicContact CG1-CE 3.86Å
277R96.4Very high97.1Very high196 Ų19642 Ų4274%0.7419%0.192SC*.Hα-helixtrans-69.4-36.2177.4-73.8-175179.2-168.5-1.8112.7H273 E274 G275 F279H273-R277 PolarHBondContact CE1-NH2 3.45Å; H273-R277 PolarHBondContact NE2-NE 3.49Å; H273-R277 PolarHBondContact NE2-NH2 2.8Å; H273-R277 PolarHBondContact O-N 3.06Å; E274-R277 WeakPolarHBondContact O-CB 3.46Å; E274-R277 PolarHBondContact O-N 2.81Å; G275-R277 PolarHBondContact O-N 2.94Å; R277-F279 VanDerWaalsContact C-N 3.33Å
278R97.4Very high97.1Very high97 Ų9742 Ų4237%0.36619%0.192SC..THydrogen-bonded Turntrans-97.422.8-179.5-63.8-174.2-172.7-146.116.9112.9R245 E274 G275 D280 E281 I282R245-R278 WeakPolarHBondContact O-CB 3.08Å; R245-R278 VanDerWaalsContact O-CD 3.27Å; R245-R278 WeakPolarHBondContact O-CD 3.27Å; E274-R278 HydrophobicContact CG-CG 4.47Å; E274-R278 PolarHBondContact O-N 2.93Å; E274-R278 IonicContact OE1-CZ 3.18Å; E274-R278 IonicContact OE1-NE 3.1Å; E274-R278 PolarHBondContact OE1-NE 3.49Å; E274-R278 VanDerWaalsContact OE1-NE 3.1Å; E274-R278 IonicContact OE1-NH2 2.79Å; E274-R278 PolarHBondContact OE1-NH2 3.19Å; G275-R278 CarbonylContact O-C 3.45Å; G275-R278 PolarHBondContact O-N 2.91Å; R278-D280 VanDerWaalsContact C-N 3.27Å; R278-D280 PolarHBondContact O-N 3.36Å; R278-E281 HydrophobicContact CB-CG 3.9Å; R278-E281 IonicContact NH1-OE1 3.85Å; R278-E281 WeakPolarHBondContact O-CG 3.19Å; R278-E281 PolarHBondContact O-N 3.1Å; R278-I282 HydrophobicContact CB-CD1 4.27Å; R278-I282 WeakPolarHBondContact O-CG1 3.39Å; R278-I282 PolarHBondContact O-N 2.81Å
279F98.6Very high97.1Very high0 Ų042 Ų420%019%0.192CC..Hα-helixtrans-56.5-39.7-171.1177.3-92.5000113.4L270 G275 V276 R277 I282 M283 I289 M311 M312 R315L270-F279 HydrophobicContact CD1-CD2 4.32Å; L270-F279 HydrophobicContact CG-CD2 4.09Å; L270-F279 HydrophobicContact CG-CE2 4.4Å; G275-F279 WeakPolarHBondContact O-CA 3.34Å; G275-F279 PolarHBondContact O-N 3.13Å; V276-F279 WeakPolarHBondContact O-CB 3.41Å; R277-F279 VanDerWaalsContact C-N 3.33Å; F279-I282 PolarHBondContact O-N 3.43Å; F279-M283 HydrophobicContact CD1-CB 4.36Å; F279-M283 HydrophobicContact CE1-CB 3.91Å; F279-M283 HydrophobicContact CE1-CE 4.36Å; F279-M283 HydrophobicContact CE1-CG 4.21Å; F279-M283 HydrophobicContact CE1-SD 3.64Å; F279-M283 HydrophobicContact CZ-CB 4.13Å; F279-M283 HydrophobicContact CZ-CG 4.33Å; F279-M283 HydrophobicContact CZ-SD 4.07Å; F279-M283 VanDerWaalsContact O-CB 3.22Å; F279-M283 WeakPolarHBondContact O-CB 3.42Å; F279-M283 PolarHBondContact O-N 3.43Å; F279-I289 HydrophobicContact CE2-CB 4.49Å; F279-I289 HydrophobicContact CE2-CD1 4.46Å; F279-I289 HydrophobicContact CE2-CG1 4.05Å; F279-I289 HydrophobicContact CE2-CG2 3.75Å; F279-I289 HydrophobicContact CZ-CG1 4.18Å; F279-I289 HydrophobicContact CZ-CG2 4.43Å; F279-M311 HydrophobicContact CB-CE 4.42Å; F279-M311 HydrophobicContact CD1-SD 4.23Å; F279-M311 HydrophobicContact CG-CE 4.42Å; F279-M311 HydrophobicContact CG-SD 4.36Å; F279-M312 HydrophobicContact CD2-CB 4.34Å; F279-M312 HydrophobicContact CD2-CG 3.56Å; F279-M312 HydrophobicContact CD2-SD 3.91Å; F279-M312 HydrophobicContact CE2-CB 3.64Å; F279-M312 HydrophobicContact CE2-CG 3.35Å; F279-M312 HydrophobicContact CE2-SD 3.84Å; F279-M312 HydrophobicContact CG-CG 4.32Å; F279-M312 HydrophobicContact CZ-CB 3.89Å; F279-M312 HydrophobicContact CZ-CG 4Å; F279-R315 HydrophobicContact CD1-CB 4.25Å; F279-R315 HydrophobicContact CE1-CB 3.47Å; F279-R315 VanDerWaalsContact CE1-CB 3.47Å; F279-R315 HydrophobicContact CE1-CG 4.18Å; F279-R315 HydrophobicContact CZ-CB 4.26Å
280D98.4Very high97.2Very high84 Ų8441.2 Ų41.245%0.44919%0.189SC..Hα-helixtrans-65.8-44.5-175.1-67.4-33000112.7R278 M283 E284 R315R278-D280 VanDerWaalsContact C-N 3.27Å; R278-D280 PolarHBondContact O-N 3.36Å; D280-M283 PolarHBondContact O-N 3.25Å; D280-E284 WeakPolarHBondContact O-CB 3.48Å; D280-E284 PolarHBondContact O-N 2.74Å; D280-R315 WeakPolarHBondContact OD1-CD 3.18Å; D280-R315 IonicContact OD1-CZ 3.65Å; D280-R315 IonicContact OD1-NE 3.03Å; D280-R315 IonicContact OD1-NH1 2.95Å; D280-R315 PolarHBondContact OD1-NH1 3Å; D280-R315 IonicContact OD2-CZ 3.19Å; D280-R315 IonicContact OD2-NH1 2.64Å; D280-R315 PolarHBondContact OD2-NH1 3.05Å
281E98.5Very high97.2Very high74 Ų7441.2 Ų41.235%0.34619%0.189SC..Hα-helixtrans-67.5-37.1177.660.5170.5-125.200111.7K246 A247 R278 E284 A285K246-E281 VanDerWaalsContact CA-OE1 3.28Å; K246-E281 WeakPolarHBondContact CA-OE1 3.43Å; K246-E281 VanDerWaalsContact CB-OE1 3.26Å; K246-E281 WeakPolarHBondContact CB-OE1 3.44Å; A247-E281 HydrophobicContact CB-CB 4.14Å; A247-E281 HydrophobicContact CB-CG 4.38Å; A247-E281 PolarHBondContact N-OE1 3.17Å; A247-E281 VanDerWaalsContact N-OE1 3.15Å; R278-E281 HydrophobicContact CB-CG 3.9Å; R278-E281 IonicContact NH1-OE1 3.85Å; R278-E281 WeakPolarHBondContact O-CG 3.19Å; R278-E281 PolarHBondContact O-N 3.1Å; E281-E284 PolarHBondContact O-N 2.88Å; E281-A285 PolarHBondContact O-N 3.46Å; E281-A285 VanDerWaalsContact O-N 3.13Å
282I98.7Very high97.3Very high0 Ų041.3 Ų41.30%019%0.19CC..Hα-helixtrans-65-51175-66.9161.9000109.4I244 V250 L270 R278 F279 E284 A285 S286 I289I244-I282 HydrophobicContact CG2-CB 4.44Å; I244-I282 HydrophobicContact CG2-CD1 4.04Å; I244-I282 HydrophobicContact CG2-CG1 3.91Å; I244-I282 HydrophobicContact CG2-CG2 3.66Å; V250-I282 HydrophobicContact CG2-CG2 4.26Å; L270-I282 HydrophobicContact CD1-CD1 3.89Å; L270-I282 HydrophobicContact CD2-CG2 4.15Å; R278-I282 HydrophobicContact CB-CD1 4.27Å; R278-I282 WeakPolarHBondContact O-CG1 3.39Å; R278-I282 PolarHBondContact O-N 2.81Å; F279-I282 PolarHBondContact O-N 3.43Å; I282-E284 PolarHBondContact O-N 2.98Å; I282-A285 PolarHBondContact O-N 2.89Å; I282-A285 VanDerWaalsContact O-N 3.12Å; I282-S286 WeakPolarHBondContact O-CB 3.48Å; I282-S286 PolarHBondContact O-N 2.82Å; I282-S286 PolarHBondContact O-OG 3.21Å; I282-I289 HydrophobicContact CG2-CD1 4.09Å
283M98.6Very high97.5Very high26 Ų2642.4 Ų42.413%0.12819%0.194CC..Hα-helixtrans-56.9-40.1179.3-179-17362.500110.7F279 D280 I289 R315 A319 K321F279-M283 HydrophobicContact CD1-CB 4.36Å; F279-M283 HydrophobicContact CE1-CB 3.91Å; F279-M283 HydrophobicContact CE1-CE 4.36Å; F279-M283 HydrophobicContact CE1-CG 4.21Å; F279-M283 HydrophobicContact CE1-SD 3.64Å; F279-M283 HydrophobicContact CZ-CB 4.13Å; F279-M283 HydrophobicContact CZ-CG 4.33Å; F279-M283 HydrophobicContact CZ-SD 4.07Å; F279-M283 VanDerWaalsContact O-CB 3.22Å; F279-M283 WeakPolarHBondContact O-CB 3.42Å; F279-M283 PolarHBondContact O-N 3.43Å; D280-M283 PolarHBondContact O-N 3.25Å; M283-I289 HydrophobicContact CB-CD1 4.39Å; M283-I289 HydrophobicContact CB-CG1 4.48Å; M283-I289 HydrophobicContact CG-CG1 4.43Å; M283-R315 HydrophobicContact SD-CB 4.12Å; M283-A319 HydrophobicContact CE-CB 3.98Å; M283-A319 HydrophobicContact SD-CB 3.76Å; M283-K321 HydrophobicContact CG-CD 4.27Å; M283-K321 VanDerWaalsContact O-CD 3.27Å; M283-K321 WeakPolarHBondContact O-CD 3.41Å; M283-K321 WeakPolarHBondContact O-CE 3.41Å; M283-K321 PolarHBondContact O-NZ 2.75Å
284E98.4Very high97.4Very high157 Ų15739.9 Ų39.973%0.73419%0.187SC*.Hα-helixtrans-63-44.4176.6-174.1172-166.700112.6D280 E281 I282 K321D280-E284 WeakPolarHBondContact O-CB 3.48Å; D280-E284 PolarHBondContact O-N 2.74Å; E281-E284 PolarHBondContact O-N 2.88Å; I282-E284 PolarHBondContact O-N 2.98Å; E284-K321 PolarHBondContact O-NZ 2.96Å
285A98.6Very high97.5Very high15 Ų1538.7 Ų38.712%0.12418%0.183CC..Hα-helixtrans-74.4-24.9-179.200000114.4A247 V250 E281 I282A247-A285 HydrophobicContact CB-CB 4.03Å; V250-A285 HydrophobicContact CB-CB 3.92Å; V250-A285 HydrophobicContact CG1-CB 4.05Å; V250-A285 HydrophobicContact CG2-CB 4.25Å; E281-A285 PolarHBondContact O-N 3.46Å; E281-A285 VanDerWaalsContact O-N 3.13Å; I282-A285 PolarHBondContact O-N 2.89Å; I282-A285 VanDerWaalsContact O-N 3.12Å
286S98.7Very high97.4Very high3 Ų338.7 Ų38.72%0.02118%0.183CC..SBendtrans-89.1157.6-173.8-56.20000113.8V250 S268 I282 G288 K321V250-S286 WeakPolarHBondContact CG1-OG 3.25Å; V250-S286 WeakPolarHBondContact CG2-OG 3.48Å; S268-S286 PolarHBondContact OG-OG 2.91Å; I282-S286 WeakPolarHBondContact O-CB 3.48Å; I282-S286 PolarHBondContact O-N 2.82Å; I282-S286 PolarHBondContact O-OG 3.21Å; S286-G288 VanDerWaalsContact C-N 3.34Å; S286-G288 WeakPolarHBondContact CB-O 3.41Å; S286-K321 PolarHBondContact O-NZ 3.14Å
287D98.8Very high97.3Very high31 Ų3138 Ų3817%0.16618%0.182CC..SBendtrans-80.1-20.7169.6-71.2-87.6000112R254 K265 I266 P322R254-D287 IonicContact CZ-OD2 3.58Å; R254-D287 IonicContact NH1-OD2 3.72Å; R254-D287 PolarHBondContact NH1-OD2 3.46Å; R254-D287 IonicContact NH2-OD2 2.81Å; R254-D287 PolarHBondContact NH2-OD2 2.72Å; K265-D287 HydrophobicContact CB-CB 4.01Å; K265-D287 HydrophobicContact CD-CB 3.91Å; K265-D287 WeakPolarHBondContact CD-OD1 3.39Å; K265-D287 IonicContact NZ-OD1 3.76Å; K265-D287 PolarHBondContact NZ-OD1 2.91Å; I266-D287 PolarHBondContact N-OD2 2.98Å; I266-D287 WeakPolarHBondContact O-CB 3.16Å; I266-D287 PolarHBondContact O-N 3.28Å; D287-P322 WeakPolarHBondContact O-CD 3.46Å; D287-P322 WeakPolarHBondContact O-CG 3.39Å
288G98.8Very high97.2Very high0 Ų029.8 Ų29.80%015%0.153CC..EExtended strand (participates in β ladder)trans-173.4178.3177.100000111.6I266 I267 S268 S286 P322I266-G288 PolarHBondContact O-N 3.03Å; I267-G288 WeakPolarHBondContact CA-O 3.39Å; S268-G288 PolarHBondContact N-O 3.48Å; S286-G288 VanDerWaalsContact C-N 3.34Å; S286-G288 WeakPolarHBondContact CB-O 3.41Å; G288-P322 CarbonylContact C-O 3.55Å; G288-P322 VanDerWaalsContact CA-O 3.23Å; G288-P322 WeakPolarHBondContact CA-O 3.44Å
289I98.9Very high96.9Very high0 Ų026.3 Ų26.30%014%0.141CC..EExtended strand (participates in β ladder)trans-127.9145.7-175.8-58.6-58.5000110S268 L270 F279 I282 M283 C316 P322 I323 T324S268-I289 CarbonylContact O-C 3.41Å; S268-I289 WeakPolarHBondContact O-CA 3.49Å; L270-I289 HydrophobicContact CD2-CD1 3.94Å; L270-I289 HydrophobicContact CD2-CG2 3.63Å; L270-I289 HydrophobicContact CG-CG2 4.13Å; F279-I289 HydrophobicContact CE2-CB 4.49Å; F279-I289 HydrophobicContact CE2-CD1 4.46Å; F279-I289 HydrophobicContact CE2-CG1 4.05Å; F279-I289 HydrophobicContact CE2-CG2 3.75Å; F279-I289 HydrophobicContact CZ-CG1 4.18Å; F279-I289 HydrophobicContact CZ-CG2 4.43Å; I282-I289 HydrophobicContact CG2-CD1 4.09Å; M283-I289 HydrophobicContact CB-CD1 4.39Å; M283-I289 HydrophobicContact CB-CG1 4.48Å; M283-I289 HydrophobicContact CG-CG1 4.43Å; I289-C316 WeakPolarHBondContact CG1-SG 3.24Å; I289-P322 PolarHBondContact N-O 3.1Å; I289-I323 HydrophobicContact CB-CD1 4.27Å; I289-I323 HydrophobicContact CB-CG1 4.14Å; I289-I323 HydrophobicContact CG2-CD1 4.08Å; I289-I323 HydrophobicContact CG2-CG1 4.28Å; I289-I323 CarbonylContact O-C 3.59Å; I289-I323 VanDerWaalsContact O-CA 3.27Å; I289-I323 WeakPolarHBondContact O-CA 3.46Å; I289-T324 PolarHBondContact O-N 3.44Å
290M98.9Very high96.7Very high1 Ų127.2 Ų27.21%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-117.3126.9164.3180178.8-62.700109.9F240 I267 S268 K269 L270 A292 T324 A326 M359F240-M290 HydrophobicContact CB-CE 4.37Å; F240-M290 HydrophobicContact CD1-CE 4.19Å; F240-M290 HydrophobicContact CD2-CE 3.43Å; F240-M290 VanDerWaalsContact CD2-CE 3.43Å; F240-M290 HydrophobicContact CE1-CE 4.28Å; F240-M290 HydrophobicContact CE2-CE 3.55Å; F240-M290 HydrophobicContact CG-CE 3.76Å; F240-M290 HydrophobicContact CZ-CE 3.97Å; I267-M290 HydrophobicContact CG2-CB 4Å; S268-M290 PolarHBondContact O-N 2.78Å; K269-M290 HydrophobicContact CD-SD 4.39Å; K269-M290 HydrophobicContact CG-CB 4.06Å; K269-M290 HydrophobicContact CG-CG 4.39Å; K269-M290 HydrophobicContact CG-SD 3.97Å; L270-M290 PolarHBondContact N-O 2.94Å; M290-A292 PolarHBondContact O-N 3.37Å; M290-T324 WeakPolarHBondContact CA-O 3.05Å; M290-T324 HydrophobicContact CE-CG2 4.07Å; M290-T324 HydrophobicContact CG-CG2 4.26Å; M290-A326 HydrophobicContact CG-CB 3.72Å; M290-A326 HydrophobicContact SD-CB 3.72Å; M290-M359 HydrophobicContact CE-SD 3.68Å; M290-M359 HydrophobicContact SD-CE 4.09Å; M290-M359 HydrophobicContact SD-SD 4Å
291V98.6Very high96.4Very high0 Ų026.4 Ų26.40%014%0.144CC..EExtended strand (participates in β ladder)trans-7993.5167.8-175.30000107.4R293 L296 Q309 M312 I323 T324 A326V291-R293 HydrophobicContact CG1-CG 3.71Å; V291-R293 PolarHBondContact O-N 3.39Å; V291-L296 HydrophobicContact CG1-CD2 4.48Å; V291-Q309 HydrophobicContact CG1-CB 4.07Å; V291-Q309 HydrophobicContact CG1-CG 4.3Å; V291-M312 HydrophobicContact CB-CE 4.22Å; V291-M312 HydrophobicContact CG1-CE 3.66Å; V291-M312 HydrophobicContact CG2-CB 4.1Å; V291-M312 HydrophobicContact CG2-CE 3.85Å; V291-M312 HydrophobicContact CG2-SD 4.22Å; V291-I323 HydrophobicContact CG2-CD1 3.79Å; V291-I323 HydrophobicContact CG2-CG1 4.22Å; V291-T324 PolarHBondContact N-O 3.19Å; V291-A326 PolarHBondContact O-N 2.91Å
292A97.3Very high96.1Very high4 Ų427.8 Ų27.83%0.03316%0.158CC..EExtended strand (participates in β ladder)trans-87.783.4-17700000110.1K269 L270 E271 M290 G294 L296K269-A292 HydrophobicContact CB-CB 4.09Å; L270-A292 PolarHBondContact O-N 3.09Å; E271-A292 HydrophobicContact CB-CB 3.9Å; M290-A292 PolarHBondContact O-N 3.37Å; A292-G294 VanDerWaalsContact C-N 3.31Å; A292-G294 PolarHBondContact O-N 2.84Å; A292-L296 VanDerWaalsContact O-CB 3.23Å; A292-L296 WeakPolarHBondContact O-CB 3.42Å; A292-L296 PolarHBondContact O-N 3.06Å
293R96.8Very high96Very high31 Ų3134 Ų3412%0.11719%0.187CC..Hα-helixtrans-69.7-21-165.4-60.5-179.2-56.3171.710.9115.3V291 G297 V305 Q309 A326 T327 D346V291-R293 HydrophobicContact CG1-CG 3.71Å; V291-R293 PolarHBondContact O-N 3.39Å; R293-G297 PolarHBondContact O-N 3.14Å; R293-V305 HydrophobicContact CB-CG1 4.22Å; R293-V305 HydrophobicContact CG-CG1 4.09Å; R293-Q309 VanDerWaalsContact NH1-OE1 3.14Å; R293-A326 WeakPolarHBondContact CB-O 3.39Å; R293-A326 WeakPolarHBondContact CG-O 3.42Å; R293-A326 PolarHBondContact NE-O 2.99Å; R293-T327 PolarHBondContact NE-O 3.49Å; R293-T327 PolarHBondContact NH2-O 3.19Å; R293-D346 IonicContact CZ-OD1 3.22Å; R293-D346 IonicContact CZ-OD2 2.66Å; R293-D346 VanDerWaalsContact CZ-OD2 3.32Å; R293-D346 VanDerWaalsContact NH1-CG 3.28Å; R293-D346 IonicContact NH1-OD1 3.22Å; R293-D346 PolarHBondContact NH1-OD1 3.41Å; R293-D346 IonicContact NH1-OD2 3.78Å; R293-D346 PolarHBondContact NH1-OD2 3.07Å; R293-D346 IonicContact NH2-OD1 2.97Å; R293-D346 IonicContact NH2-OD2 3.2Å; R293-D346 PolarHBondContact NH2-OD2 3.47Å
294G91Very high95.9Very high20 Ų2037.6 Ų37.621%0.20620%0.202CC..Hα-helixtrans-59.8-73.5178.700000110.8A292 L296 G297A292-G294 VanDerWaalsContact C-N 3.31Å; A292-G294 PolarHBondContact O-N 2.84Å; G294-L296 VanDerWaalsContact C-N 3.31Å; G294-L296 PolarHBondContact O-N 3.49Å; G294-G297 PolarHBondContact O-N 3Å
295D92.6Very high95.9Very high45 Ų4530.9 Ų30.924%0.24117%0.172CC..Hα-helixtrans-59.8-38.3175.7-76-81000112.7N209 F243 E271 G297 I298 E299N209-D295 PolarHBondContact ND2-OD1 3.31Å; F243-D295 HydrophobicContact CE1-CB 4.16Å; F243-D295 HydrophobicContact CZ-CB 4.28Å; E271-D295 HydrophobicContact CB-CB 3.79Å; E271-D295 HydrophobicContact CG-CB 4.29Å; E271-D295 CarbonylContact O-C 3.53Å; D295-G297 VanDerWaalsContact C-N 3.29Å; D295-G297 PolarHBondContact O-N 3.04Å; D295-I298 WeakPolarHBondContact O-CB 3.3Å; D295-I298 PolarHBondContact O-N 3.04Å; D295-E299 WeakPolarHBondContact O-CB 3.44Å; D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 3.16Å
296L95.4Very high95.9Very high0 Ų035.5 Ų35.50%019%0.189CC..Hα-helixtrans-58.8-40.7177.2-170.558.8000112.2E271 V276 V291 A292 G294 I298 E299 I300 V305 A308 M312E271-L296 WeakPolarHBondContact O-CA 3.45Å; E271-L296 PolarHBondContact O-N 2.98Å; V276-L296 HydrophobicContact CG2-CD1 3.86Å; V291-L296 HydrophobicContact CG1-CD2 4.48Å; A292-L296 VanDerWaalsContact O-CB 3.23Å; A292-L296 WeakPolarHBondContact O-CB 3.42Å; A292-L296 PolarHBondContact O-N 3.06Å; G294-L296 VanDerWaalsContact C-N 3.31Å; G294-L296 PolarHBondContact O-N 3.49Å; L296-I298 PolarHBondContact O-N 3.06Å; L296-E299 PolarHBondContact O-N 3.21Å; L296-I300 HydrophobicContact CD1-CD1 3.99Å; L296-I300 HydrophobicContact CD1-CG1 3.89Å; L296-I300 HydrophobicContact CG-CD1 4.01Å; L296-I300 HydrophobicContact CG-CG1 3.96Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.26Å; L296-V305 HydrophobicContact CD2-CG1 4.48Å; L296-A308 HydrophobicContact CD2-CB 4.09Å; L296-M312 HydrophobicContact CD2-CE 3.97Å
297G94.6Very high95.9Very high15 Ų1539.8 Ų39.816%0.15521%0.211CC..Hα-helixtrans-71.4-8.6-179.900000114.8R293 G294 D295 I300 T302 V305R293-G297 PolarHBondContact O-N 3.14Å; G294-G297 PolarHBondContact O-N 3Å; D295-G297 VanDerWaalsContact C-N 3.29Å; D295-G297 PolarHBondContact O-N 3.04Å; G297-I300 CarbonylContact C-O 3.57Å; G297-T302 PolarHBondContact O-OG1 2.98Å; G297-T302 VanDerWaalsContact O-OG1 3.12Å; G297-V305 VanDerWaalsContact CA-CG2 3.49Å
298I92.9Very high95.9Very high22 Ų2238.7 Ų38.711%0.11321%0.206CC..Hα-helixtrans-97-44.2171.5-53165.5000109.5Y174 N209 P211 D295 L296Y174-I298 HydrophobicContact CD1-CG2 4.33Å; Y174-I298 HydrophobicContact CD2-CG2 4.26Å; Y174-I298 HydrophobicContact CG-CG2 3.82Å; N209-I298 HydrophobicContact CB-CB 4.43Å; N209-I298 HydrophobicContact CB-CG2 3.59Å; P211-I298 VanDerWaalsContact CG-O 3.23Å; P211-I298 WeakPolarHBondContact CG-O 3.24Å; D295-I298 WeakPolarHBondContact O-CB 3.3Å; D295-I298 PolarHBondContact O-N 3.04Å; L296-I298 PolarHBondContact O-N 3.06Å
299E92.6Very high95.9Very high25 Ų2539.2 Ų39.212%0.11721%0.209CC..Hα-helixtrans-71.8-27.1-177.9-74.9-67.8145.600114.2N209 L210 E271 N272 D295 L296N209-E299 WeakPolarHBondContact CB-OE1 3.34Å; L210-E299 PolarHBondContact N-OE1 2.98Å; E271-E299 WeakPolarHBondContact O-CG 3.47Å; N272-E299 HydrophobicContact CB-CB 4.31Å; N272-E299 HydrophobicContact CB-CG 4.05Å; D295-E299 WeakPolarHBondContact O-CB 3.44Å; D295-E299 WeakPolarHBondContact O-CG 3.38Å; D295-E299 PolarHBondContact O-N 3.16Å; L296-E299 PolarHBondContact O-N 3.21Å
300I93.8Very high95.9Very high19 Ų1943.4 Ų43.410%0.09723%0.227CC..SBendtrans-125.1155.2168.962.3163.1000109.9H273 L296 G297 T302 K304 V305 A308H273-I300 HydrophobicContact CB-CG2 3.91Å; L296-I300 HydrophobicContact CD1-CD1 3.99Å; L296-I300 HydrophobicContact CD1-CG1 3.89Å; L296-I300 HydrophobicContact CG-CD1 4.01Å; L296-I300 HydrophobicContact CG-CG1 3.96Å; L296-I300 WeakPolarHBondContact O-CG1 3.32Å; L296-I300 PolarHBondContact O-N 3.26Å; G297-I300 CarbonylContact C-O 3.57Å; I300-T302 PolarHBondContact O-N 3.29Å; I300-K304 HydrophobicContact CD1-CB 4.23Å; I300-V305 HydrophobicContact CD1-CG2 4.33Å; I300-V305 HydrophobicContact CG1-CG2 4.26Å; I300-A308 HydrophobicContact CD1-CB 4.18Å
301P91.8Very high95.9Very high66 Ų6645.8 Ų45.843%0.42924%0.239SC..  trans-51.3131.4175.8-27.333.6000111.9E303 K304P301-E303 VanDerWaalsContact CB-OE1 3.31Å; P301-E303 WeakPolarHBondContact CB-OE1 3.45Å; P301-E303 WeakPolarHBondContact CB-OE2 3.28Å; P301-E303 PolarHBondContact O-N 3.47Å; P301-E303 VanDerWaalsContact O-N 3.14Å; P301-K304 HydrophobicContact CB-CD 4.16Å; P301-K304 HydrophobicContact CB-CG 4.28Å; P301-K304 HydrophobicContact CG-CD 4.08Å; P301-K304 WeakPolarHBondContact O-CA 3.37Å; P301-K304 WeakPolarHBondContact O-CB 3.32Å; P301-K304 PolarHBondContact O-N 3.17Å
302T92.4Very high95.9Very high104 Ų10445.8 Ų45.864%0.63824%0.239SC*.G310 helixtrans-56.2-35.8-172-500000112.4G297 I300 K304 V305G297-T302 PolarHBondContact O-OG1 2.98Å; G297-T302 VanDerWaalsContact O-OG1 3.12Å; I300-T302 PolarHBondContact O-N 3.29Å; T302-K304 PolarHBondContact O-N 3.2Å; T302-K304 VanDerWaalsContact O-N 3.11Å; T302-V305 WeakPolarHBondContact O-CG2 3.47Å; T302-V305 PolarHBondContact O-N 3.36Å
303E96.3Very high96Very high129 Ų12945.6 Ų45.660%0.60324%0.237SC*.G310 helixtrans-67.3-7.4176.474.2-79.6-174.200114.1P301 F306P301-E303 VanDerWaalsContact CB-OE1 3.31Å; P301-E303 WeakPolarHBondContact CB-OE1 3.45Å; P301-E303 WeakPolarHBondContact CB-OE2 3.28Å; P301-E303 PolarHBondContact O-N 3.47Å; P301-E303 VanDerWaalsContact O-N 3.14Å; E303-F306 VanDerWaalsContact O-CD1 3.24Å; E303-F306 WeakPolarHBondContact O-CD1 3.29Å; E303-F306 WeakPolarHBondContact O-CE1 3.33Å
304K97.6Very high96.1Very high103 Ų10346 Ų4645%0.44825%0.251SS..G310 helixtrans-102.7-10.2176-61.8179.4-174.8-72.30113.3I300 P301 T302 F306 L307 A308I300-K304 HydrophobicContact CD1-CB 4.23Å; P301-K304 HydrophobicContact CB-CD 4.16Å; P301-K304 HydrophobicContact CB-CG 4.28Å; P301-K304 HydrophobicContact CG-CD 4.08Å; P301-K304 WeakPolarHBondContact O-CA 3.37Å; P301-K304 WeakPolarHBondContact O-CB 3.32Å; P301-K304 PolarHBondContact O-N 3.17Å; T302-K304 PolarHBondContact O-N 3.2Å; T302-K304 VanDerWaalsContact O-N 3.11Å; K304-F306 VanDerWaalsContact C-N 3.28Å; K304-F306 PolarHBondContact O-N 2.93Å; K304-L307 HydrophobicContact CB-CD1 4.44Å; K304-L307 HydrophobicContact CG-CD1 4.49Å; K304-L307 WeakPolarHBondContact O-CB 3.32Å; K304-L307 PolarHBondContact O-N 2.94Å; K304-A308 PolarHBondContact O-N 3.48Å
305V98.3Very high96.5Very high15 Ų1549.6 Ų49.69%0.09126%0.259CS..Hα-helixtrans-59.5-39.6-176.91760000111.5R293 L296 G297 I300 T302 L307 A308 Q309R293-V305 HydrophobicContact CB-CG1 4.22Å; R293-V305 HydrophobicContact CG-CG1 4.09Å; L296-V305 HydrophobicContact CD2-CG1 4.48Å; G297-V305 VanDerWaalsContact CA-CG2 3.49Å; I300-V305 HydrophobicContact CD1-CG2 4.33Å; I300-V305 HydrophobicContact CG1-CG2 4.26Å; T302-V305 WeakPolarHBondContact O-CG2 3.47Å; T302-V305 PolarHBondContact O-N 3.36Å; V305-L307 VanDerWaalsContact C-N 3.27Å; V305-L307 PolarHBondContact O-N 2.93Å; V305-A308 PolarHBondContact O-N 2.89Å; V305-A308 VanDerWaalsContact O-N 3.16Å; V305-Q309 PolarHBondContact O-N 2.78Å
306F98.5Very high96.7Very high112 Ų11247.5 Ų47.549%0.49125%0.247SC..Hα-helixtrans-64.2-32.3178.684.2-89.3000112.7E303 K304 K310E303-F306 VanDerWaalsContact O-CD1 3.24Å; E303-F306 WeakPolarHBondContact O-CD1 3.29Å; E303-F306 WeakPolarHBondContact O-CE1 3.33Å; K304-F306 VanDerWaalsContact C-N 3.28Å; K304-F306 PolarHBondContact O-N 2.93Å; F306-K310 HydrophobicContact CD2-CD 4.4Å; F306-K310 WeakPolarHBondContact O-CB 3.48Å; F306-K310 WeakPolarHBondContact O-CG 3.45Å; F306-K310 PolarHBondContact O-N 3.24Å
307L98.8Very high96.9Very high94 Ų9448.5 Ų48.549%0.49225%0.253SS..Hα-helixtrans-64.9-46.1174.8-61.2171.1000109.9K304 V305 M311K304-L307 HydrophobicContact CB-CD1 4.44Å; K304-L307 HydrophobicContact CG-CD1 4.49Å; K304-L307 WeakPolarHBondContact O-CB 3.32Å; K304-L307 PolarHBondContact O-N 2.94Å; V305-L307 VanDerWaalsContact C-N 3.27Å; V305-L307 PolarHBondContact O-N 2.93Å; L307-M311 WeakPolarHBondContact O-CB 3.05Å; L307-M311 PolarHBondContact O-N 2.95Å
308A98.7Very high97Very high7 Ų753.5 Ų53.56%0.05827%0.27CS..Hα-helixtrans-63.9-45.817800000111.3V276 L296 I300 K304 V305 M311 M312V276-A308 HydrophobicContact CG2-CB 4.45Å; L296-A308 HydrophobicContact CD2-CB 4.09Å; I300-A308 HydrophobicContact CD1-CB 4.18Å; K304-A308 PolarHBondContact O-N 3.48Å; V305-A308 PolarHBondContact O-N 2.89Å; V305-A308 VanDerWaalsContact O-N 3.16Å; A308-M311 PolarHBondContact O-N 2.79Å; A308-M312 HydrophobicContact CB-CE 3.88Å; A308-M312 WeakPolarHBondContact O-CB 3.39Å; A308-M312 VanDerWaalsContact O-CE 3.29Å; A308-M312 WeakPolarHBondContact O-CE 3.14Å; A308-M312 VanDerWaalsContact O-CG 3.23Å; A308-M312 WeakPolarHBondContact O-CG 3.49Å; A308-M312 PolarHBondContact O-N 3.47Å
309Q98.8Very high97.2Very high12 Ų1254.4 Ų54.46%0.05628%0.281CS..Hα-helixtrans-55.1-56.3176178.2180-58.300111.7V291 R293 V305 M311 M312 I313 C325 D353V291-Q309 HydrophobicContact CG1-CB 4.07Å; V291-Q309 HydrophobicContact CG1-CG 4.3Å; R293-Q309 VanDerWaalsContact NH1-OE1 3.14Å; V305-Q309 PolarHBondContact O-N 2.78Å; Q309-M311 VanDerWaalsContact C-N 3.31Å; Q309-M311 PolarHBondContact O-N 3.09Å; Q309-M312 PolarHBondContact O-N 3.46Å; Q309-I313 HydrophobicContact CG-CD1 3.69Å; Q309-I313 HydrophobicContact CG-CG1 4.49Å; Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.42Å; Q309-I313 PolarHBondContact O-N 2.9Å; Q309-C325 PolarHBondContact OE1-SG 2.97Å; Q309-C325 VanDerWaalsContact OE1-SG 3.38Å; Q309-D353 PolarHBondContact NE2-OD2 3.48Å
310K98.8Very high97.5Very high88 Ų8854.1 Ų54.138%0.38329%0.285SS..Hα-helixtrans-62.3-39.4-178.1-70.8-176.8-174.2-57.10111.9F306 G314 D353F306-K310 HydrophobicContact CD2-CD 4.4Å; F306-K310 WeakPolarHBondContact O-CB 3.48Å; F306-K310 WeakPolarHBondContact O-CG 3.45Å; F306-K310 PolarHBondContact O-N 3.24Å; K310-G314 PolarHBondContact O-N 2.95Å; K310-D353 WeakPolarHBondContact CG-OD2 3.26Å; K310-D353 IonicContact NZ-OD1 2.73Å; K310-D353 PolarHBondContact NZ-OD1 2.8Å; K310-D353 IonicContact NZ-OD2 2.76Å; K310-D353 PolarHBondContact NZ-OD2 3.08Å
311M98.8Very high97.7Very high51 Ų5155.7 Ų55.725%0.25129%0.291SS..Hα-helixtrans-60.9-50.9175.9179.5-80.4-70.600111.6V276 F279 L307 A308 Q309 G314 R315V276-M311 HydrophobicContact CG1-CE 3.86Å; F279-M311 HydrophobicContact CB-CE 4.42Å; F279-M311 HydrophobicContact CD1-SD 4.23Å; F279-M311 HydrophobicContact CG-CE 4.42Å; F279-M311 HydrophobicContact CG-SD 4.36Å; L307-M311 WeakPolarHBondContact O-CB 3.05Å; L307-M311 PolarHBondContact O-N 2.95Å; A308-M311 PolarHBondContact O-N 2.79Å; Q309-M311 VanDerWaalsContact C-N 3.31Å; Q309-M311 PolarHBondContact O-N 3.09Å; M311-G314 PolarHBondContact O-N 2.61Å; M311-R315 WeakPolarHBondContact O-CG 3.36Å; M311-R315 PolarHBondContact O-N 3.38Å; M311-R315 VanDerWaalsContact O-N 3.08Å; M311-R315 VanDerWaalsContact SD-CD 3.55Å; M311-R315 HydrophobicContact SD-CG 4.32Å; M311-R315 PolarHBondContact SD-NE 2.89Å
312M98.8Very high98Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-65-42.7-178.3-68.1-173.6-88.100111.5L270 F279 V291 L296 A308 Q309 R315 C316 I323L270-M312 HydrophobicContact CB-CE 4.36Å; L270-M312 HydrophobicContact CB-SD 3.51Å; L270-M312 VanDerWaalsContact CB-SD 3.51Å; L270-M312 HydrophobicContact CG-SD 3.8Å; F279-M312 HydrophobicContact CD2-CB 4.34Å; F279-M312 HydrophobicContact CD2-CG 3.56Å; F279-M312 HydrophobicContact CD2-SD 3.91Å; F279-M312 HydrophobicContact CE2-CB 3.64Å; F279-M312 HydrophobicContact CE2-CG 3.35Å; F279-M312 HydrophobicContact CE2-SD 3.84Å; F279-M312 HydrophobicContact CG-CG 4.32Å; F279-M312 HydrophobicContact CZ-CB 3.89Å; F279-M312 HydrophobicContact CZ-CG 4Å; V291-M312 HydrophobicContact CB-CE 4.22Å; V291-M312 HydrophobicContact CG1-CE 3.66Å; V291-M312 HydrophobicContact CG2-CB 4.1Å; V291-M312 HydrophobicContact CG2-CE 3.85Å; V291-M312 HydrophobicContact CG2-SD 4.22Å; L296-M312 HydrophobicContact CD2-CE 3.97Å; A308-M312 HydrophobicContact CB-CE 3.88Å; A308-M312 WeakPolarHBondContact O-CB 3.39Å; A308-M312 VanDerWaalsContact O-CE 3.29Å; A308-M312 WeakPolarHBondContact O-CE 3.14Å; A308-M312 VanDerWaalsContact O-CG 3.23Å; A308-M312 WeakPolarHBondContact O-CG 3.49Å; A308-M312 PolarHBondContact O-N 3.47Å; Q309-M312 PolarHBondContact O-N 3.46Å; M312-R315 PolarHBondContact O-N 3.03Å; M312-C316 WeakPolarHBondContact O-CB 3.45Å; M312-C316 PolarHBondContact O-N 3.48Å; M312-I323 HydrophobicContact CB-CD1 3.76Å; M312-I323 WeakPolarHBondContact O-CD1 3.46Å
313I98.9Very high98.3Very high0 Ų047.7 Ų47.70%024%0.241CC..Hα-helixtrans-61.8-48.6177.3-66170.8000110.8Q309 R315 C316 N317 I323 D353 G354 A355Q309-I313 HydrophobicContact CG-CD1 3.69Å; Q309-I313 HydrophobicContact CG-CG1 4.49Å; Q309-I313 VanDerWaalsContact O-CG1 3.3Å; Q309-I313 WeakPolarHBondContact O-CG1 3.42Å; Q309-I313 PolarHBondContact O-N 2.9Å; I313-R315 VanDerWaalsContact C-N 3.32Å; I313-R315 PolarHBondContact O-N 2.75Å; I313-C316 PolarHBondContact O-N 2.71Å; I313-N317 WeakPolarHBondContact CG2-ND2 3.39Å; I313-N317 WeakPolarHBondContact O-CB 3.48Å; I313-N317 PolarHBondContact O-N 3.31Å; I313-N317 PolarHBondContact O-ND2 3.45Å; I313-N317 PolarHBondContact O-OD1 3.26Å; I313-I323 HydrophobicContact CB-CD1 4.31Å; I313-I323 HydrophobicContact CB-CG2 4.35Å; I313-I323 HydrophobicContact CG1-CD1 3.78Å; I313-I323 HydrophobicContact CG1-CG1 4.35Å; I313-I323 HydrophobicContact CG1-CG2 4.08Å; I313-I323 HydrophobicContact CG2-CG2 4.19Å; I313-D353 HydrophobicContact CD1-CB 3.84Å; I313-D353 HydrophobicContact CG2-CB 4.33Å; I313-D353 WeakPolarHBondContact CG2-O 3.17Å; I313-G354 VanDerWaalsContact CG2-C 3.49Å; I313-A355 HydrophobicContact CD1-CB 4.26Å
314G98.7Very high98.5Very high40 Ų4041.6 Ų41.641%0.41221%0.213SC..Hα-helixtrans-58.5-41.9178.800000113K310 M311 K318K310-G314 PolarHBondContact O-N 2.95Å; M311-G314 PolarHBondContact O-N 2.61Å; G314-K318 WeakPolarHBondContact O-CB 3.37Å; G314-K318 PolarHBondContact O-N 2.72Å; G314-K318 VanDerWaalsContact O-N 3.07Å
315R98.6Very high98.5Very high95 Ų9536.7 Ų36.736%0.35819%0.191SC..Hα-helixtrans-70.1-41.9178.6-69.1-175.7-174.1-160.24112.7F279 D280 M283 M311 M312 I313 K318 A319F279-R315 HydrophobicContact CD1-CB 4.25Å; F279-R315 HydrophobicContact CE1-CB 3.47Å; F279-R315 VanDerWaalsContact CE1-CB 3.47Å; F279-R315 HydrophobicContact CE1-CG 4.18Å; F279-R315 HydrophobicContact CZ-CB 4.26Å; D280-R315 WeakPolarHBondContact OD1-CD 3.18Å; D280-R315 IonicContact OD1-CZ 3.65Å; D280-R315 IonicContact OD1-NE 3.03Å; D280-R315 IonicContact OD1-NH1 2.95Å; D280-R315 PolarHBondContact OD1-NH1 3Å; D280-R315 IonicContact OD2-CZ 3.19Å; D280-R315 IonicContact OD2-NH1 2.64Å; D280-R315 PolarHBondContact OD2-NH1 3.05Å; M283-R315 HydrophobicContact SD-CB 4.12Å; M311-R315 WeakPolarHBondContact O-CG 3.36Å; M311-R315 PolarHBondContact O-N 3.38Å; M311-R315 VanDerWaalsContact O-N 3.08Å; M311-R315 VanDerWaalsContact SD-CD 3.55Å; M311-R315 HydrophobicContact SD-CG 4.32Å; M311-R315 PolarHBondContact SD-NE 2.89Å; M312-R315 PolarHBondContact O-N 3.03Å; I313-R315 VanDerWaalsContact C-N 3.32Å; I313-R315 PolarHBondContact O-N 2.75Å; R315-K318 PolarHBondContact O-N 2.95Å; R315-A319 WeakPolarHBondContact O-CB 3.43Å; R315-A319 PolarHBondContact O-N 3.47Å
316C98.8Very high98.5Very high0 Ų036 Ų360%019%0.187CC..Hα-helixtrans-63.2-43.2174.9-81.70000112.5I289 M312 I313 K318 A319 G320 K321 I323I289-C316 WeakPolarHBondContact CG1-SG 3.24Å; M312-C316 WeakPolarHBondContact O-CB 3.45Å; M312-C316 PolarHBondContact O-N 3.48Å; I313-C316 PolarHBondContact O-N 2.71Å; C316-K318 VanDerWaalsContact C-N 3.33Å; C316-K318 PolarHBondContact O-N 2.86Å; C316-A319 CarbonylContact O-C 3.59Å; C316-A319 PolarHBondContact O-N 3.38Å; C316-A319 VanDerWaalsContact O-N 3.15Å; C316-G320 PolarHBondContact O-N 3.12Å; C316-K321 WeakPolarHBondContact CB-O 3.48Å; C316-K321 PolarHBondContact O-N 3.31Å; C316-K321 VanDerWaalsContact O-N 3.07Å; C316-I323 HydrophobicContact CB-CB 3.72Å; C316-I323 HydrophobicContact CB-CD1 4.08Å; C316-I323 HydrophobicContact CB-CG1 4.44Å; C316-I323 HydrophobicContact CB-CG2 3.93Å
317N98.6Very high98.2Very high21 Ų2132.2 Ų32.211%0.11217%0.173CC..Hα-helixtrans-58.5-46175-68.4-12.4000111I313 A319 G320 D353 G354 L397 R444I313-N317 WeakPolarHBondContact CG2-ND2 3.39Å; I313-N317 WeakPolarHBondContact O-CB 3.48Å; I313-N317 PolarHBondContact O-N 3.31Å; I313-N317 PolarHBondContact O-ND2 3.45Å; I313-N317 PolarHBondContact O-OD1 3.26Å; N317-A319 VanDerWaalsContact C-N 3.34Å; N317-A319 PolarHBondContact O-N 3.37Å; N317-G320 PolarHBondContact O-N 2.98Å; N317-D353 PolarHBondContact ND2-O 3.3Å; N317-G354 PolarHBondContact ND2-O 2.96Å; N317-G354 PolarHBondContact OD1-O 3.24Å; N317-G354 VanDerWaalsContact OD1-O 3.09Å; N317-L397 HydrophobicContact CB-CD2 4.36Å; N317-R444 VanDerWaalsContact OD1-CZ 3.29Å; N317-R444 PolarHBondContact OD1-NH2 3.44Å
318K97.5Very high98Very high121 Ų12133 Ų3353%0.52617%0.174SC..Hα-helixtrans-60.8-41.5175.8-176.8179.2175.5-176.50112G314 R315 C316 G320 R442G314-K318 WeakPolarHBondContact O-CB 3.37Å; G314-K318 PolarHBondContact O-N 2.72Å; G314-K318 VanDerWaalsContact O-N 3.07Å; R315-K318 PolarHBondContact O-N 2.95Å; C316-K318 VanDerWaalsContact C-N 3.33Å; C316-K318 PolarHBondContact O-N 2.86Å; K318-G320 VanDerWaalsContact C-N 3.32Å; K318-R442 PolarHBondContact O-NH2 2.94Å
319A97.1Very high97.9Very high40 Ų4032.6 Ų32.633%0.33117%0.171SC..Hα-helixtrans-76.5-15.7179.100000113.9M283 R315 C316 N317 K321M283-A319 HydrophobicContact CE-CB 3.98Å; M283-A319 HydrophobicContact SD-CB 3.76Å; R315-A319 WeakPolarHBondContact O-CB 3.43Å; R315-A319 PolarHBondContact O-N 3.47Å; C316-A319 CarbonylContact O-C 3.59Å; C316-A319 PolarHBondContact O-N 3.38Å; C316-A319 VanDerWaalsContact O-N 3.15Å; N317-A319 VanDerWaalsContact C-N 3.34Å; N317-A319 PolarHBondContact O-N 3.37Å; A319-K321 VanDerWaalsContact C-N 3.3Å; A319-K321 HydrophobicContact CB-CG 4.36Å
320G97.5Very high97.9Very high20 Ų2032 Ų3221%0.20617%0.169CC..THydrogen-bonded Turntrans68.927.9-172.600000113.6C316 N317 K318C316-G320 PolarHBondContact O-N 3.12Å; N317-G320 PolarHBondContact O-N 2.98Å; K318-G320 VanDerWaalsContact C-N 3.32Å
321K98.6Very high97.8Very high51 Ų5131 Ų3122%0.22217%0.165CC..  trans-103.3139.8174.4-66.9-167178.8-168.40109.9M283 E284 S286 C316 A319M283-K321 HydrophobicContact CG-CD 4.27Å; M283-K321 VanDerWaalsContact O-CD 3.27Å; M283-K321 WeakPolarHBondContact O-CD 3.41Å; M283-K321 WeakPolarHBondContact O-CE 3.41Å; M283-K321 PolarHBondContact O-NZ 2.75Å; E284-K321 PolarHBondContact O-NZ 2.96Å; S286-K321 PolarHBondContact O-NZ 3.14Å; C316-K321 WeakPolarHBondContact CB-O 3.48Å; C316-K321 PolarHBondContact O-N 3.31Å; C316-K321 VanDerWaalsContact O-N 3.07Å; A319-K321 VanDerWaalsContact C-N 3.3Å; A319-K321 HydrophobicContact CB-CG 4.36Å
322P98.8Very high97.8Very high2 Ų229.6 Ų29.61%0.01316%0.16CC..  trans-65.9140.5-177.327.7-33.1000111D287 G288 I289 D356 L464 Y465D287-P322 WeakPolarHBondContact O-CD 3.46Å; D287-P322 WeakPolarHBondContact O-CG 3.39Å; G288-P322 CarbonylContact C-O 3.55Å; G288-P322 VanDerWaalsContact CA-O 3.23Å; G288-P322 WeakPolarHBondContact CA-O 3.44Å; I289-P322 PolarHBondContact N-O 3.1Å; P322-D356 WeakPolarHBondContact CA-OD2 3.31Å; P322-D356 HydrophobicContact CB-CB 4.44Å; P322-L464 HydrophobicContact CB-CB 3.95Å; P322-L464 WeakPolarHBondContact CB-O 3.38Å; P322-L464 HydrophobicContact CG-CB 4.12Å; P322-Y465 HydrophobicContact CB-CD1 4.36Å; P322-Y465 HydrophobicContact CB-CD2 4.48Å; P322-Y465 HydrophobicContact CB-CE1 4.36Å; P322-Y465 HydrophobicContact CB-CE2 4.45Å; P322-Y465 HydrophobicContact CB-CG 4.42Å; P322-Y465 HydrophobicContact CG-CD2 4.48Å; P322-Y465 HydrophobicContact CG-CE1 4.12Å; P322-Y465 HydrophobicContact CG-CE2 3.98Å
323I98.8Very high97.8Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-130133.7175-167.5167.3000113.5I289 V291 M312 I313 C316 D356 C357I289-I323 HydrophobicContact CB-CD1 4.27Å; I289-I323 HydrophobicContact CB-CG1 4.14Å; I289-I323 HydrophobicContact CG2-CD1 4.08Å; I289-I323 HydrophobicContact CG2-CG1 4.28Å; I289-I323 CarbonylContact O-C 3.59Å; I289-I323 VanDerWaalsContact O-CA 3.27Å; I289-I323 WeakPolarHBondContact O-CA 3.46Å; V291-I323 HydrophobicContact CG2-CD1 3.79Å; V291-I323 HydrophobicContact CG2-CG1 4.22Å; M312-I323 HydrophobicContact CB-CD1 3.76Å; M312-I323 WeakPolarHBondContact O-CD1 3.46Å; I313-I323 HydrophobicContact CB-CD1 4.31Å; I313-I323 HydrophobicContact CB-CG2 4.35Å; I313-I323 HydrophobicContact CG1-CD1 3.78Å; I313-I323 HydrophobicContact CG1-CG1 4.35Å; I313-I323 HydrophobicContact CG1-CG2 4.08Å; I313-I323 HydrophobicContact CG2-CG2 4.19Å; C316-I323 HydrophobicContact CB-CB 3.72Å; C316-I323 HydrophobicContact CB-CD1 4.08Å; C316-I323 HydrophobicContact CB-CG1 4.44Å; C316-I323 HydrophobicContact CB-CG2 3.93Å; I323-D356 PolarHBondContact N-OD2 2.94Å; I323-D356 PolarHBondContact O-N 3.15Å; I323-C357 PolarHBondContact O-N 2.77Å
324T98.9Very high97.7Very high2 Ų230.4 Ų30.41%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-105.9131.2178-58.30000111.2I47 I289 M290 V291 A326 C357 M359I47-T324 HydrophobicContact CD1-CG2 3.56Å; I289-T324 PolarHBondContact O-N 3.44Å; M290-T324 WeakPolarHBondContact CA-O 3.05Å; M290-T324 HydrophobicContact CE-CG2 4.07Å; M290-T324 HydrophobicContact CG-CG2 4.26Å; V291-T324 PolarHBondContact N-O 3.19Å; T324-A326 HydrophobicContact CG2-CB 4.44Å; T324-C357 WeakPolarHBondContact CA-O 3.45Å; T324-C357 HydrophobicContact CG2-CB 4.02Å; T324-C357 WeakPolarHBondContact OG1-CB 3.45Å; T324-M359 HydrophobicContact CG2-CB 4.02Å
325C98.8Very high97.7Very high0 Ų034.9 Ų34.90%017%0.172CC..EExtended strand (participates in β ladder)trans-91.1128.5163.9-168.90000109.6Q309 M329 A350 A355 C357 M359Q309-C325 PolarHBondContact OE1-SG 2.97Å; Q309-C325 VanDerWaalsContact OE1-SG 3.38Å; C325-M329 HydrophobicContact CB-CE 4.33Å; C325-A350 HydrophobicContact CB-CB 3.83Å; C325-A355 HydrophobicContact CB-CB 4.13Å; C325-C357 PolarHBondContact N-O 3.49Å; C325-M359 PolarHBondContact O-N 3.19Å; C325-M359 VanDerWaalsContact O-N 3.14Å
326A97.3Very high97.6Very high0 Ų036 Ų360%018%0.18CC..EExtended strand (participates in β ladder)trans-136.1158-16900000114M290 V291 R293 T324 M359M290-A326 HydrophobicContact CG-CB 3.72Å; M290-A326 HydrophobicContact SD-CB 3.72Å; V291-A326 PolarHBondContact O-N 2.91Å; R293-A326 WeakPolarHBondContact CB-O 3.39Å; R293-A326 WeakPolarHBondContact CG-O 3.42Å; R293-A326 PolarHBondContact NE-O 2.99Å; T324-A326 HydrophobicContact CG2-CB 4.44Å; A326-M359 HydrophobicContact CB-CB 4.04Å; A326-M359 HydrophobicContact CB-CE 3.55Å; A326-M359 HydrophobicContact CB-SD 4.12Å
327T92.8Very high97.6Very high33 Ų3339.5 Ų39.520%0.20220%0.203CC..SBendtrans75.6131.7171.7-50.90000114.4R293 M329R293-T327 PolarHBondContact NE-O 3.49Å; R293-T327 PolarHBondContact NH2-O 3.19Å; T327-M329 PolarHBondContact O-N 3.38Å; T327-M329 VanDerWaalsContact O-N 3.15Å
328Q93.8Very high97.5Very high109 Ų10947.1 Ų47.151%0.50923%0.23SC..SBendtrans54.828.2175.7-67.4178.6-10.600115.5L330 E331Q328-L330 VanDerWaalsContact C-N 3.35Å; Q328-E331 HydrophobicContact CB-CB 4.07Å; Q328-E331 HydrophobicContact CG-CB 4.1Å; Q328-E331 HydrophobicContact CG-CG 3.99Å; Q328-E331 WeakPolarHBondContact CG-OE2 3.09Å
329M97.7Very high97.5Very high0 Ų042.6 Ų42.60%021%0.213CC..SBendtrans-67.3-38.6179.7-63.3-160.184.200111.6C325 T327 E343 V347 A350 I358C325-M329 HydrophobicContact CB-CE 4.33Å; T327-M329 PolarHBondContact O-N 3.38Å; T327-M329 VanDerWaalsContact O-N 3.15Å; M329-E343 WeakPolarHBondContact O-CA 3.15Å; M329-E343 VanDerWaalsContact O-CB 3.31Å; M329-E343 WeakPolarHBondContact O-CB 3.22Å; M329-E343 WeakPolarHBondContact O-CG 3.46Å; M329-V347 HydrophobicContact CB-CG2 3.97Å; M329-V347 HydrophobicContact CE-CB 4.36Å; M329-V347 HydrophobicContact CE-CG2 4Å; M329-A350 HydrophobicContact CE-CB 3.71Å; M329-I358 HydrophobicContact CE-CB 4.07Å; M329-I358 HydrophobicContact CE-CG2 3.75Å; M329-I358 HydrophobicContact SD-CB 3.68Å; M329-I358 HydrophobicContact SD-CG2 4.01Å
330L98.3Very high97.6Very high0 Ų043.4 Ų43.40%021%0.214CC..SBendtrans-132.938177.9-60.8-176.6000110.7Q328 S332 M333 P339 E343 V347 L360 E363 A373 T376 Q377 I380Q328-L330 VanDerWaalsContact C-N 3.35Å; L330-S332 VanDerWaalsContact C-N 3.27Å; L330-S332 PolarHBondContact O-N 2.99Å; L330-S332 VanDerWaalsContact O-N 3.09Å; L330-M333 HydrophobicContact CB-CB 4.39Å; L330-M333 HydrophobicContact CB-CG 4.18Å; L330-M333 HydrophobicContact CB-SD 4.13Å; L330-M333 HydrophobicContact CD1-SD 3.84Å; L330-M333 HydrophobicContact CG-SD 4.44Å; L330-M333 WeakPolarHBondContact O-CA 3.25Å; L330-M333 VanDerWaalsContact O-CB 3.25Å; L330-M333 WeakPolarHBondContact O-CB 3.37Å; L330-M333 PolarHBondContact O-N 3.2Å; L330-P339 HydrophobicContact CD2-CB 3.86Å; L330-P339 HydrophobicContact CD2-CG 4.47Å; L330-E343 HydrophobicContact CD2-CB 3.94Å; L330-V347 HydrophobicContact CD2-CG2 3.75Å; L330-V347 HydrophobicContact CG-CG2 4.11Å; L330-L360 HydrophobicContact CB-CD2 4.11Å; L330-L360 HydrophobicContact CD1-CD2 4.09Å; L330-L360 HydrophobicContact CG-CD2 4.22Å; L330-E363 HydrophobicContact CB-CG 4.18Å; L330-E363 PolarHBondContact N-OE1 3.35Å; L330-E363 VanDerWaalsContact O-CG 3.25Å; L330-E363 WeakPolarHBondContact O-CG 3.49Å; L330-A373 WeakPolarHBondContact CD1-O 3.31Å; L330-T376 HydrophobicContact CD1-CG2 3.8Å; L330-T376 HydrophobicContact CD2-CG2 4.26Å; L330-Q377 HydrophobicContact CD1-CG 3.58Å; L330-Q377 HydrophobicContact CG-CG 4.22Å; L330-I380 HydrophobicContact CD2-CD1 4.48Å
331E97.4Very high97.7Very high65 Ų6551.5 Ų51.530%0.30424%0.238SC..G310 helixtrans-50.6-41.3-167.9-170.565.6-167.900113.9Q328 M333 I334 E343Q328-E331 HydrophobicContact CB-CB 4.07Å; Q328-E331 HydrophobicContact CG-CB 4.1Å; Q328-E331 HydrophobicContact CG-CG 3.99Å; Q328-E331 WeakPolarHBondContact CG-OE2 3.09Å; E331-M333 PolarHBondContact O-N 2.95Å; E331-M333 VanDerWaalsContact O-N 3.08Å; E331-I334 VanDerWaalsContact CD-CD1 3.5Å; E331-I334 HydrophobicContact CG-CD1 4.35Å; E331-I334 WeakPolarHBondContact O-CB 3.17Å; E331-I334 VanDerWaalsContact O-CG1 3.26Å; E331-I334 WeakPolarHBondContact O-CG1 3Å; E331-I334 PolarHBondContact O-N 2.66Å; E331-I334 WeakPolarHBondContact OE1-CD1 3.03Å; E331-E343 PolarHBondContact N-OE1 2.94Å
332S98Very high97.7Very high23 Ų2352.6 Ų52.616%0.16126%0.256CS..G310 helixtrans-61.3-22.2179.579.50000113.2L330 I334 K335 K336 E343L330-S332 VanDerWaalsContact C-N 3.27Å; L330-S332 PolarHBondContact O-N 2.99Å; L330-S332 VanDerWaalsContact O-N 3.09Å; S332-I334 PolarHBondContact O-N 2.85Å; S332-K335 PolarHBondContact O-N 2.98Å; S332-K335 VanDerWaalsContact O-N 3.14Å; S332-K336 WeakPolarHBondContact O-CB 3.48Å; S332-K336 PolarHBondContact O-N 2.84Å; S332-E343 WeakPolarHBondContact CB-OE1 3.46Å; S332-E343 PolarHBondContact N-OE1 2.9Å; S332-E343 VanDerWaalsContact OG-CD 3.28Å; S332-E343 PolarHBondContact OG-OE1 2.89Å; S332-E343 VanDerWaalsContact OG-OE1 3.09Å; S332-E343 PolarHBondContact OG-OE2 2.72Å
333M98.4Very high97.7Very high0 Ų053.5 Ų53.50%026%0.261CS..G310 helixtrans-72.3-7177.6-61.7-166.368.700114.3L330 E331 K335 K336 P339 E372 A373 T376L330-M333 HydrophobicContact CB-CB 4.39Å; L330-M333 HydrophobicContact CB-CG 4.18Å; L330-M333 HydrophobicContact CB-SD 4.13Å; L330-M333 HydrophobicContact CD1-SD 3.84Å; L330-M333 HydrophobicContact CG-SD 4.44Å; L330-M333 WeakPolarHBondContact O-CA 3.25Å; L330-M333 VanDerWaalsContact O-CB 3.25Å; L330-M333 WeakPolarHBondContact O-CB 3.37Å; L330-M333 PolarHBondContact O-N 3.2Å; E331-M333 PolarHBondContact O-N 2.95Å; E331-M333 VanDerWaalsContact O-N 3.08Å; M333-K335 PolarHBondContact O-N 2.98Å; M333-K336 WeakPolarHBondContact CA-O 3.45Å; M333-P339 HydrophobicContact CG-CB 4Å; M333-P339 HydrophobicContact SD-CB 3.88Å; M333-P339 HydrophobicContact SD-CG 4.15Å; M333-E372 HydrophobicContact CE-CB 3.81Å; M333-A373 HydrophobicContact CB-CB 4.47Å; M333-A373 HydrophobicContact CE-CB 4.47Å; M333-A373 HydrophobicContact SD-CB 4.5Å; M333-T376 HydrophobicContact SD-CG2 4.06Å
334I97.9Very high97.6Very high17 Ų1754.4 Ų54.49%0.08727%0.269CS..G310 helixtrans-55.8-38.5164.9-67.5173.1000110.4E331 S332 E363 G367 D368E331-I334 VanDerWaalsContact CD-CD1 3.5Å; E331-I334 HydrophobicContact CG-CD1 4.35Å; E331-I334 WeakPolarHBondContact O-CB 3.17Å; E331-I334 VanDerWaalsContact O-CG1 3.26Å; E331-I334 WeakPolarHBondContact O-CG1 3Å; E331-I334 PolarHBondContact O-N 2.66Å; E331-I334 WeakPolarHBondContact OE1-CD1 3.03Å; S332-I334 PolarHBondContact O-N 2.85Å; I334-E363 HydrophobicContact CG1-CB 4.49Å; I334-E363 HydrophobicContact CG1-CG 4.26Å; I334-G367 WeakPolarHBondContact O-CA 3.31Å; I334-D368 PolarHBondContact O-N 2.93Å
335K97.8Very high97.6Very high133 Ų13357.3 Ų57.358%0.57829%0.29SS*.THydrogen-bonded Turntrans-120.4-8.5-175.2-64.5-55.7177.4-169.40114.7S332 M333 D368S332-K335 PolarHBondContact O-N 2.98Å; S332-K335 VanDerWaalsContact O-N 3.14Å; M333-K335 PolarHBondContact O-N 2.98Å; K335-D368 WeakPolarHBondContact CD-OD2 3.47Å; K335-D368 IonicContact NZ-OD1 2.81Å; K335-D368 PolarHBondContact NZ-OD1 3.23Å; K335-D368 IonicContact NZ-OD2 2.68Å; K335-D368 PolarHBondContact NZ-OD2 3.4Å
336K97.6Very high97.6Very high119 Ų11959.3 Ų59.352%0.51730%0.301SS..  trans-126.6142.7-174.9-61178-176.1172.60110.7S332 M333 R338 Y369S332-K336 WeakPolarHBondContact O-CB 3.48Å; S332-K336 PolarHBondContact O-N 2.84Å; M333-K336 WeakPolarHBondContact CA-O 3.45Å; K336-R338 PolarHBondContact O-N 2.91Å; K336-Y369 VanDerWaalsContact C-CE2 3.48Å; K336-Y369 WeakPolarHBondContact O-CD2 3.27Å
337P97.2Very high97.7Very high73 Ų7359.3 Ų59.347%0.47430%0.301SS..SBendtrans-75.1-3.3179.430-35.9000113.6Y369P337-Y369 HydrophobicContact CB-CD1 3.98Å; P337-Y369 HydrophobicContact CB-CD2 4.48Å; P337-Y369 HydrophobicContact CB-CE1 3.75Å; P337-Y369 HydrophobicContact CB-CE2 4.27Å; P337-Y369 HydrophobicContact CB-CG 4.33Å
338R97.3Very high98Very high182 Ų18258.8 Ų58.869%0.68730%0.3SS*.SBendtrans-139.9143.3180-66.4-165.4-63.5171-3.5110.7K336K336-R338 PolarHBondContact O-N 2.91Å
339P98.4Very high98.2Very high26 Ų2656.7 Ų56.717%0.16929%0.292CS..  trans-76.2165.3178.936.6-39.7000111.8L330 M333 R341 E343 T376L330-P339 HydrophobicContact CD2-CB 3.86Å; L330-P339 HydrophobicContact CD2-CG 4.47Å; M333-P339 HydrophobicContact CG-CB 4Å; M333-P339 HydrophobicContact SD-CB 3.88Å; M333-P339 HydrophobicContact SD-CG 4.15Å; P339-R341 PolarHBondContact O-NH1 3.4Å; P339-E343 WeakPolarHBondContact CA-OE2 3.35Å; P339-E343 HydrophobicContact CB-CB 3.94Å; P339-E343 VanDerWaalsContact CB-OE2 3.27Å; P339-E343 WeakPolarHBondContact CB-OE2 3.35Å; P339-T376 HydrophobicContact CG-CG2 3.82Å
340T98.6Very high98.3Very high57 Ų5756.7 Ų56.735%0.3529%0.292SS..  trans-70.3167.2165.374.40000110.9A342 E343 G344T340-A342 VanDerWaalsContact C-N 3.3Å; T340-A342 PolarHBondContact OG1-N 3.31Å; T340-E343 PolarHBondContact N-OE2 3.02Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 2.97Å; T340-E343 VanDerWaalsContact OG1-N 3.14Å; T340-G344 PolarHBondContact O-N 3.49Å; T340-G344 VanDerWaalsContact O-N 3.17Å
341R98.5Very high98.3Very high190 Ų19056.7 Ų56.772%0.71729%0.292SS*.Hα-helixtrans-67.7-34.1174.3-55.3-59.1172.9-91-3.3112P339 G344 S345P339-R341 PolarHBondContact O-NH1 3.4Å; R341-G344 PolarHBondContact O-N 3.49Å; R341-S345 WeakPolarHBondContact O-CB 3.42Å; R341-S345 PolarHBondContact O-N 3.08Å
342A98.5Very high98.4Very high73 Ų7356.8 Ų56.860%0.60330%0.295SS*.Hα-helixtrans-63.4-45.6176.200000111.2T340 G344 S345 D346T340-A342 VanDerWaalsContact C-N 3.3Å; T340-A342 PolarHBondContact OG1-N 3.31Å; A342-G344 PolarHBondContact O-N 3.23Å; A342-S345 CarbonylContact O-C 3.49Å; A342-S345 WeakPolarHBondContact O-CB 3.27Å; A342-S345 PolarHBondContact O-N 2.93Å; A342-D346 WeakPolarHBondContact O-CB 3.43Å; A342-D346 PolarHBondContact O-N 3.33Å
343E98.7Very high98.4Very high22 Ų2257.7 Ų57.710%0.10330%0.297CS..Hα-helixtrans-62-43176.3-74.9164.6-174.100112.3M329 L330 E331 S332 P339 T340 S345 D346 V347M329-E343 WeakPolarHBondContact O-CA 3.15Å; M329-E343 VanDerWaalsContact O-CB 3.31Å; M329-E343 WeakPolarHBondContact O-CB 3.22Å; M329-E343 WeakPolarHBondContact O-CG 3.46Å; L330-E343 HydrophobicContact CD2-CB 3.94Å; E331-E343 PolarHBondContact N-OE1 2.94Å; S332-E343 WeakPolarHBondContact CB-OE1 3.46Å; S332-E343 PolarHBondContact N-OE1 2.9Å; S332-E343 VanDerWaalsContact OG-CD 3.28Å; S332-E343 PolarHBondContact OG-OE1 2.89Å; S332-E343 VanDerWaalsContact OG-OE1 3.09Å; S332-E343 PolarHBondContact OG-OE2 2.72Å; P339-E343 WeakPolarHBondContact CA-OE2 3.35Å; P339-E343 HydrophobicContact CB-CB 3.94Å; P339-E343 VanDerWaalsContact CB-OE2 3.27Å; P339-E343 WeakPolarHBondContact CB-OE2 3.35Å; T340-E343 PolarHBondContact N-OE2 3.02Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 2.97Å; T340-E343 VanDerWaalsContact OG1-N 3.14Å; E343-S345 VanDerWaalsContact C-N 3.33Å; E343-S345 PolarHBondContact O-N 3.05Å; E343-D346 PolarHBondContact O-N 2.91Å; E343-V347 WeakPolarHBondContact O-CG2 3.4Å; E343-V347 PolarHBondContact O-N 3.37Å; E343-V347 VanDerWaalsContact O-N 3.09Å
344G98.7Very high98.4Very high18 Ų1857.8 Ų57.819%0.18630%0.298CS..Hα-helixtrans-59.7-43.6173.500000112.7T340 R341 A342 A348T340-G344 PolarHBondContact O-N 3.49Å; T340-G344 VanDerWaalsContact O-N 3.17Å; R341-G344 PolarHBondContact O-N 3.49Å; A342-G344 PolarHBondContact O-N 3.23Å; G344-A348 PolarHBondContact O-N 3.27Å
345S98.8Very high98.5Very high63 Ų6357 Ų5744%0.44129%0.294SS..Hα-helixtrans-67.2-37.8176.4-171.50000112.5R341 A342 E343 A348 N349R341-S345 WeakPolarHBondContact O-CB 3.42Å; R341-S345 PolarHBondContact O-N 3.08Å; A342-S345 CarbonylContact O-C 3.49Å; A342-S345 WeakPolarHBondContact O-CB 3.27Å; A342-S345 PolarHBondContact O-N 2.93Å; E343-S345 VanDerWaalsContact C-N 3.33Å; E343-S345 PolarHBondContact O-N 3.05Å; S345-A348 PolarHBondContact O-N 2.98Å; S345-N349 WeakPolarHBondContact O-CB 3.43Å; S345-N349 PolarHBondContact O-N 3.01Å; S345-N349 PolarHBondContact O-ND2 3.2Å; S345-N349 PolarHBondContact OG-ND2 3.32Å; S345-N349 VanDerWaalsContact OG-ND2 3.13Å
346D98.8Very high98.5Very high42 Ų4250.8 Ų50.823%0.22527%0.268CS..Hα-helixtrans-63.7-48.1179.7-177.651.7000111.6R293 A342 E343 A348 N349 A350R293-D346 IonicContact CZ-OD1 3.22Å; R293-D346 IonicContact CZ-OD2 2.66Å; R293-D346 VanDerWaalsContact CZ-OD2 3.32Å; R293-D346 VanDerWaalsContact NH1-CG 3.28Å; R293-D346 IonicContact NH1-OD1 3.22Å; R293-D346 PolarHBondContact NH1-OD1 3.41Å; R293-D346 IonicContact NH1-OD2 3.78Å; R293-D346 PolarHBondContact NH1-OD2 3.07Å; R293-D346 IonicContact NH2-OD1 2.97Å; R293-D346 IonicContact NH2-OD2 3.2Å; R293-D346 PolarHBondContact NH2-OD2 3.47Å; A342-D346 WeakPolarHBondContact O-CB 3.43Å; A342-D346 PolarHBondContact O-N 3.33Å; E343-D346 PolarHBondContact O-N 2.91Å; D346-A348 PolarHBondContact O-N 3.26Å; D346-N349 PolarHBondContact O-N 3Å; D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.65Å
347V98.9Very high98.6Very high0 Ų045.1 Ų45.10%024%0.243CC..Hα-helixtrans-60.1-47175.3176.70000111.2M329 L330 E343 N349 A350 V351 I358 Q377 I380M329-V347 HydrophobicContact CB-CG2 3.97Å; M329-V347 HydrophobicContact CE-CB 4.36Å; M329-V347 HydrophobicContact CE-CG2 4Å; L330-V347 HydrophobicContact CD2-CG2 3.75Å; L330-V347 HydrophobicContact CG-CG2 4.11Å; E343-V347 WeakPolarHBondContact O-CG2 3.4Å; E343-V347 PolarHBondContact O-N 3.37Å; E343-V347 VanDerWaalsContact O-N 3.09Å; V347-N349 PolarHBondContact O-N 3.24Å; V347-A350 PolarHBondContact O-N 3.22Å; V347-V351 PolarHBondContact O-N 2.97Å; V347-I358 HydrophobicContact CG1-CD1 3.7Å; V347-Q377 HydrophobicContact CG2-CG 4.46Å; V347-I380 HydrophobicContact CB-CB 4.44Å; V347-I380 HydrophobicContact CB-CD1 4.26Å; V347-I380 HydrophobicContact CB-CG2 3.89Å; V347-I380 HydrophobicContact CG1-CB 3.93Å; V347-I380 HydrophobicContact CG1-CD1 4.42Å; V347-I380 HydrophobicContact CG1-CG2 3.66Å
348A98.9Very high98.7Very high23 Ų2341.7 Ų41.719%0.1922%0.22CC..Hα-helixtrans-61.4-45.5179.400000111.8G344 S345 D346 V351 L352 I380 A384G344-A348 PolarHBondContact O-N 3.27Å; S345-A348 PolarHBondContact O-N 2.98Å; D346-A348 PolarHBondContact O-N 3.26Å; A348-V351 PolarHBondContact O-N 3.1Å; A348-L352 WeakPolarHBondContact O-CG 3.4Å; A348-L352 PolarHBondContact O-N 2.94Å; A348-I380 HydrophobicContact CB-CG2 3.78Å; A348-A384 HydrophobicContact CB-CB 4.15Å
349N98.9Very high98.8Very high65 Ų6533.1 Ų33.135%0.34819%0.188SC..Hα-helixtrans-68.9-34.2-179.8-81.5-73.7000112.8S345 D346 V347 V351 L352 D353S345-N349 WeakPolarHBondContact O-CB 3.43Å; S345-N349 PolarHBondContact O-N 3.01Å; S345-N349 PolarHBondContact O-ND2 3.2Å; S345-N349 PolarHBondContact OG-ND2 3.32Å; S345-N349 VanDerWaalsContact OG-ND2 3.13Å; D346-N349 PolarHBondContact O-N 3Å; V347-N349 PolarHBondContact O-N 3.24Å; N349-V351 VanDerWaalsContact C-N 3.27Å; N349-V351 PolarHBondContact O-N 3.33Å; N349-L352 PolarHBondContact O-N 3.08Å; N349-D353 VanDerWaalsContact O-CB 3.25Å; N349-D353 WeakPolarHBondContact O-CB 3.3Å; N349-D353 PolarHBondContact O-N 3.49Å
350A98.9Very high98.8Very high0 Ų031.9 Ų31.90%018%0.18CC..Hα-helixtrans-60.3-40.117300000111.6C325 M329 D346 V347 G354 A355 I358C325-A350 HydrophobicContact CB-CB 3.83Å; M329-A350 HydrophobicContact CE-CB 3.71Å; D346-A350 WeakPolarHBondContact O-CB 3.48Å; D346-A350 PolarHBondContact O-N 2.65Å; V347-A350 PolarHBondContact O-N 3.22Å; A350-G354 PolarHBondContact O-N 2.66Å; A350-A355 WeakPolarHBondContact O-CB 3.34Å; A350-A355 PolarHBondContact O-N 3.24Å; A350-I358 HydrophobicContact CB-CG2 4.25Å
351V98.9Very high98.7Very high0 Ų030 Ų300%017%0.17CC..Hα-helixtrans-68.9-45175.4173.90000111.5T44 V347 A348 N349 G354 I358 A381 A384 E385 M388T44-V351 HydrophobicContact CG2-CG2 4.13Å; V347-V351 PolarHBondContact O-N 2.97Å; A348-V351 PolarHBondContact O-N 3.1Å; N349-V351 VanDerWaalsContact C-N 3.27Å; N349-V351 PolarHBondContact O-N 3.33Å; V351-G354 VanDerWaalsContact O-CA 3.27Å; V351-G354 WeakPolarHBondContact O-CA 3.32Å; V351-G354 PolarHBondContact O-N 3.39Å; V351-I358 HydrophobicContact CG2-CG2 4.29Å; V351-A381 HydrophobicContact CG2-CB 4.11Å; V351-A384 HydrophobicContact CB-CB 3.8Å; V351-A384 HydrophobicContact CG1-CB 3.7Å; V351-E385 HydrophobicContact CG1-CG 3.87Å; V351-M388 WeakPolarHBondContact O-CE 3.15Å
352L98.8Very high98.5Very high67 Ų6721.5 Ų21.535%0.35114%0.141SC..Hα-helixtrans-65.4-37.4178.7-69.4169.8000112.9A348 N349 G354 A384 A387 M388A348-L352 WeakPolarHBondContact O-CG 3.4Å; A348-L352 PolarHBondContact O-N 2.94Å; N349-L352 PolarHBondContact O-N 3.08Å; L352-G354 PolarHBondContact O-N 2.96Å; L352-A384 VanDerWaalsContact CD2-O 3.29Å; L352-A384 WeakPolarHBondContact CD2-O 3.35Å; L352-A384 HydrophobicContact CG-CB 4.32Å; L352-A387 HydrophobicContact CD2-CB 4.36Å; L352-M388 HydrophobicContact CD2-CB 4.36Å
353D98.8Very high98.6Very high41 Ų4118 Ų1822%0.21911%0.112CC..Hα-helixtrans-61.1-26.7170.7-75.8-21.4000111.3Q309 K310 I313 N317 N349Q309-D353 PolarHBondContact NE2-OD2 3.48Å; K310-D353 WeakPolarHBondContact CG-OD2 3.26Å; K310-D353 IonicContact NZ-OD1 2.73Å; K310-D353 PolarHBondContact NZ-OD1 2.8Å; K310-D353 IonicContact NZ-OD2 2.76Å; K310-D353 PolarHBondContact NZ-OD2 3.08Å; I313-D353 HydrophobicContact CD1-CB 3.84Å; I313-D353 HydrophobicContact CG2-CB 4.33Å; I313-D353 WeakPolarHBondContact CG2-O 3.17Å; N317-D353 PolarHBondContact ND2-O 3.3Å; N349-D353 VanDerWaalsContact O-CB 3.25Å; N349-D353 WeakPolarHBondContact O-CB 3.3Å; N349-D353 PolarHBondContact O-N 3.49Å
354G98.7Very high98.5Very high2 Ų217 Ų172%0.02111%0.107CC..THydrogen-bonded Turntrans104.432.4174.400000113.9I313 N317 A350 V351 L352 R444I313-G354 VanDerWaalsContact CG2-C 3.49Å; N317-G354 PolarHBondContact ND2-O 2.96Å; N317-G354 PolarHBondContact OD1-O 3.24Å; N317-G354 VanDerWaalsContact OD1-O 3.09Å; A350-G354 PolarHBondContact O-N 2.66Å; V351-G354 VanDerWaalsContact O-CA 3.27Å; V351-G354 WeakPolarHBondContact O-CA 3.32Å; V351-G354 PolarHBondContact O-N 3.39Å; L352-G354 PolarHBondContact O-N 2.96Å; G354-R444 VanDerWaalsContact C-NH1 3.32Å; G354-R444 VanDerWaalsContact O-CZ 3.23Å; G354-R444 PolarHBondContact O-NH1 3.44Å; G354-R444 PolarHBondContact O-NH2 2.75Å
355A98.8Very high98.5Very high0 Ų016.9 Ų16.90%011%0.105CC..  trans-59.7137.1167.200000110.8I313 C325 A350I313-A355 HydrophobicContact CD1-CB 4.26Å; C325-A355 HydrophobicContact CB-CB 4.13Å; A350-A355 WeakPolarHBondContact O-CB 3.34Å; A350-A355 PolarHBondContact O-N 3.24Å
356D98.9Very high98.4Very high4 Ų420.5 Ų20.52%0.02111%0.113CC..SBendtrans-77.3-33.2173.8-63.4-85.3000111.4T44 G45 P322 I323 R444 L464 R466T44-D356 CarbonylContact C-O 3.47Å; T44-D356 WeakPolarHBondContact CA-O 3.32Å; T44-D356 WeakPolarHBondContact CG2-O 3.41Å; G45-D356 PolarHBondContact N-O 3.44Å; P322-D356 WeakPolarHBondContact CA-OD2 3.31Å; P322-D356 HydrophobicContact CB-CB 4.44Å; I323-D356 PolarHBondContact N-OD2 2.94Å; I323-D356 PolarHBondContact O-N 3.15Å; D356-R444 IonicContact OD1-CZ 3.86Å; D356-R444 IonicContact OD1-NH2 2.83Å; D356-R444 PolarHBondContact OD1-NH2 3.14Å; D356-R444 IonicContact OD2-NH2 3.46Å; D356-R444 PolarHBondContact OD2-NH2 3.26Å; D356-R444 VanDerWaalsContact OD2-NH2 3.08Å; D356-L464 WeakPolarHBondContact CB-O 3.09Å; D356-R466 HydrophobicContact CB-CB 4.27Å; D356-R466 VanDerWaalsContact OD1-CB 3.27Å; D356-R466 WeakPolarHBondContact OD1-CB 3.25Å; D356-R466 PolarHBondContact OD1-N 3.46Å
357C98.9Very high98.3Very high0 Ų018.6 Ų18.60%010%0.103CC..EExtended strand (participates in β ladder)trans-132.2151.2177.5-68.80000111.9G45 I47 I323 T324 C325 H463G45-C357 WeakPolarHBondContact O-CA 3.12Å; I47-C357 HydrophobicContact CD1-CB 3.65Å; I47-C357 HydrophobicContact CG1-CB 4.26Å; I323-C357 PolarHBondContact O-N 2.77Å; T324-C357 WeakPolarHBondContact CA-O 3.45Å; T324-C357 HydrophobicContact CG2-CB 4.02Å; T324-C357 WeakPolarHBondContact OG1-CB 3.45Å; C325-C357 PolarHBondContact N-O 3.49Å; C357-H463 PolarHBondContact SG-O 3.26Å
358I98.9Very high98.3Very high0 Ų023 Ų230%013%0.127CC..EExtended strand (participates in β ladder)trans-120.5148.1168.354.2175000109.1T44 G45 I46 I47 M329 V347 A350 V351 Q377 A381T44-I358 HydrophobicContact CG2-CG1 4.1Å; T44-I358 HydrophobicContact CG2-CG2 4.24Å; G45-I358 PolarHBondContact O-N 3.32Å; I46-I358 HydrophobicContact CG1-CD1 4.29Å; I46-I358 HydrophobicContact CG1-CG1 4.07Å; I47-I358 PolarHBondContact N-O 2.71Å; M329-I358 HydrophobicContact CE-CB 4.07Å; M329-I358 HydrophobicContact CE-CG2 3.75Å; M329-I358 HydrophobicContact SD-CB 3.68Å; M329-I358 HydrophobicContact SD-CG2 4.01Å; V347-I358 HydrophobicContact CG1-CD1 3.7Å; A350-I358 HydrophobicContact CB-CG2 4.25Å; V351-I358 HydrophobicContact CG2-CG2 4.29Å; I358-Q377 HydrophobicContact CD1-CB 3.84Å; I358-Q377 HydrophobicContact CD1-CG 4.03Å; I358-A381 HydrophobicContact CD1-CB 4.21Å
359M98.8Very high98.3Very high2 Ų225.5 Ų25.51%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-129.1135.4-169.3-172.8175.295.300113.7I47 R72 M290 T324 C325 A326 S361I47-M359 HydrophobicContact CB-CB 4.06Å; I47-M359 HydrophobicContact CB-CG 3.84Å; I47-M359 HydrophobicContact CB-SD 4.49Å; I47-M359 HydrophobicContact CG2-CB 4.47Å; I47-M359 HydrophobicContact CG2-CG 3.74Å; I47-M359 HydrophobicContact CG2-SD 3.93Å; I47-M359 CarbonylContact O-C 3.59Å; I47-M359 VanDerWaalsContact O-CA 3.32Å; I47-M359 WeakPolarHBondContact O-CA 3.39Å; R72-M359 WeakPolarHBondContact CD-SD 3.26Å; M290-M359 HydrophobicContact CE-SD 3.68Å; M290-M359 HydrophobicContact SD-CE 4.09Å; M290-M359 HydrophobicContact SD-SD 4Å; T324-M359 HydrophobicContact CG2-CB 4.02Å; C325-M359 PolarHBondContact O-N 3.19Å; C325-M359 VanDerWaalsContact O-N 3.14Å; A326-M359 HydrophobicContact CB-CB 4.04Å; A326-M359 HydrophobicContact CB-CE 3.55Å; A326-M359 HydrophobicContact CB-SD 4.12Å; M359-S361 WeakPolarHBondContact CE-OG 3.4Å
360L98.6Very high98.2Very high0 Ų023 Ų230%012%0.119CC..EExtended strand (participates in β ladder)trans-99.6135.2167.8-64.4167.5000110.3I47 T49 L330 E363 T364 A373 V374 Q377I47-L360 PolarHBondContact O-N 2.94Å; T49-L360 WeakPolarHBondContact CB-O 3.46Å; T49-L360 PolarHBondContact N-O 3.04Å; T49-L360 PolarHBondContact OG1-O 2.78Å; L330-L360 HydrophobicContact CB-CD2 4.11Å; L330-L360 HydrophobicContact CD1-CD2 4.09Å; L330-L360 HydrophobicContact CG-CD2 4.22Å; L360-E363 HydrophobicContact CB-CB 4.35Å; L360-E363 HydrophobicContact CD2-CB 3.9Å; L360-E363 HydrophobicContact CD2-CG 3.93Å; L360-T364 HydrophobicContact CB-CG2 3.7Å; L360-T364 HydrophobicContact CD1-CG2 3.56Å; L360-T364 HydrophobicContact CG-CG2 4.23Å; L360-A373 HydrophobicContact CD1-CB 3.92Å; L360-A373 HydrophobicContact CD2-CB 4.34Å; L360-V374 HydrophobicContact CD1-CG2 3.93Å; L360-Q377 HydrophobicContact CD1-CG 4.25Å; L360-Q377 HydrophobicContact CD2-CG 4.02Å; L360-Q377 VanDerWaalsContact CD2-NE2 3.25Å; L360-Q377 VanDerWaalsContact CG-CD 3.43Å; L360-Q377 HydrophobicContact CG-CG 4.23Å
361S96.8Very high98.2Very high19 Ų1924.2 Ų24.213%0.13313%0.126CC..SBendtrans-111.6-95.8-178.1-60.60000110.8T49 M359 E363 A365T49-S361 WeakPolarHBondContact OG1-CA 3.18Å; M359-S361 WeakPolarHBondContact CE-OG 3.4Å; S361-E363 WeakPolarHBondContact CA-OE2 3.41Å; S361-E363 PolarHBondContact N-OE2 2.75Å; S361-E363 PolarHBondContact O-N 2.94Å; S361-A365 VanDerWaalsContact O-CB 3.24Å; S361-A365 WeakPolarHBondContact O-CB 3.23Å; S361-A365 PolarHBondContact O-N 3.49Å; S361-A365 VanDerWaalsContact O-N 3.13Å
362G95.6Very high98.2Very high11 Ų1127.3 Ų27.311%0.11314%0.14CC..Hα-helixtrans-64.5-31.8179.800000112.3T364 A365 K366 G367G362-T364 VanDerWaalsContact C-N 3.28Å; G362-T364 PolarHBondContact O-N 2.85Å; G362-A365 PolarHBondContact O-N 3.36Å; G362-K366 WeakPolarHBondContact O-CG 3.49Å; G362-K366 PolarHBondContact O-N 3.18Å; G362-G367 PolarHBondContact O-N 3.4Å
363E98.6Very high98.2Very high0 Ų024.1 Ų24.10%012%0.123CC..Hα-helixtrans-55.4-41.4-176.8-53.794.9136.300112.1L330 I334 L360 S361 G367 A373L330-E363 HydrophobicContact CB-CG 4.18Å; L330-E363 PolarHBondContact N-OE1 3.35Å; L330-E363 VanDerWaalsContact O-CG 3.25Å; L330-E363 WeakPolarHBondContact O-CG 3.49Å; I334-E363 HydrophobicContact CG1-CB 4.49Å; I334-E363 HydrophobicContact CG1-CG 4.26Å; L360-E363 HydrophobicContact CB-CB 4.35Å; L360-E363 HydrophobicContact CD2-CB 3.9Å; L360-E363 HydrophobicContact CD2-CG 3.93Å; S361-E363 WeakPolarHBondContact CA-OE2 3.41Å; S361-E363 PolarHBondContact N-OE2 2.75Å; S361-E363 PolarHBondContact O-N 2.94Å; E363-G367 WeakPolarHBondContact O-CA 3.37Å; E363-A373 HydrophobicContact CB-CB 4.04Å
364T98.6Very high98.2Very high0 Ų022.2 Ų22.20%011%0.113CC..Hα-helixtrans-100.2-26.5178.955.40000113.4C48 T49 S54 M63 L360 G362 V374C48-T364 HydrophobicContact CB-CG2 4.19Å; T49-T364 PolarHBondContact N-OG1 2.92Å; T49-T364 CarbonylContact O-C 3.44Å; T49-T364 WeakPolarHBondContact O-CB 3.46Å; T49-T364 PolarHBondContact O-OG1 2.61Å; S54-T364 WeakPolarHBondContact CB-O 3.39Å; S54-T364 PolarHBondContact OG-O 3.41Å; M63-T364 HydrophobicContact CE-CG2 3.77Å; L360-T364 HydrophobicContact CB-CG2 3.7Å; L360-T364 HydrophobicContact CD1-CG2 3.56Å; L360-T364 HydrophobicContact CG-CG2 4.23Å; G362-T364 VanDerWaalsContact C-N 3.28Å; G362-T364 PolarHBondContact O-N 2.85Å; T364-V374 HydrophobicContact CG2-CG2 3.92Å
365A97.8Very high98.2Very high16 Ų1627 Ų2713%0.13213%0.131CC..Hα-helixtrans-76.4-41.7-176.700000112.6T49 G51 P52 A53 S361 G362T49-A365 HydrophobicContact CG2-CB 3.89Å; T49-A365 WeakPolarHBondContact O-CA 3.48Å; T49-A365 PolarHBondContact O-N 3.05Å; G51-A365 CarbonylContact C-O 3.46Å; G51-A365 VanDerWaalsContact CA-O 3.29Å; G51-A365 WeakPolarHBondContact CA-O 3.31Å; P52-A365 VanDerWaalsContact CD-O 3.28Å; P52-A365 WeakPolarHBondContact CD-O 3.19Å; P52-A365 VanDerWaalsContact N-O 3.13Å; A53-A365 PolarHBondContact N-O 3.41Å; S361-A365 VanDerWaalsContact O-CB 3.24Å; S361-A365 WeakPolarHBondContact O-CB 3.23Å; S361-A365 PolarHBondContact O-N 3.49Å; S361-A365 VanDerWaalsContact O-N 3.13Å; G362-A365 PolarHBondContact O-N 3.36Å
366K96.4Very high98.2Very high138 Ų13828.5 Ų28.560%0.614%0.139SC*.THydrogen-bonded Turntrans-137.50.7-171.564.9177.2-179.7-177.90114.1G362G362-K366 WeakPolarHBondContact O-CG 3.49Å; G362-K366 PolarHBondContact O-N 3.18Å
367G96.9Very high98.2Very high3 Ų328.3 Ų28.33%0.03114%0.138CC..  trans-74.8157.2-17800000113.3A53 I334 G362 E363 Y369A53-G367 VanDerWaalsContact CB-O 3.31Å; A53-G367 WeakPolarHBondContact CB-O 3.28Å; I334-G367 WeakPolarHBondContact O-CA 3.31Å; G362-G367 PolarHBondContact O-N 3.4Å; E363-G367 WeakPolarHBondContact O-CA 3.37Å; G367-Y369 VanDerWaalsContact C-N 3.28Å
368D98.3Very high98.2Very high92 Ų9230.3 Ų30.349%0.49215%0.148SC..SBendtrans-78.5-16.1178.2-55.2-30.7000111.6I334 K335 P370I334-D368 PolarHBondContact O-N 2.93Å; K335-D368 WeakPolarHBondContact CD-OD2 3.47Å; K335-D368 IonicContact NZ-OD1 2.81Å; K335-D368 PolarHBondContact NZ-OD1 3.23Å; K335-D368 IonicContact NZ-OD2 2.68Å; K335-D368 PolarHBondContact NZ-OD2 3.4Å; D368-P370 VanDerWaalsContact C-CD 3.46Å
369Y98.4Very high98.2Very high76 Ų7634.8 Ų34.830%0.29817%0.17SC..  trans-129.454.5-174.9-57.8-77000113.9K336 P337 G367 L371 E372 A373K336-Y369 VanDerWaalsContact C-CE2 3.48Å; K336-Y369 WeakPolarHBondContact O-CD2 3.27Å; P337-Y369 HydrophobicContact CB-CD1 3.98Å; P337-Y369 HydrophobicContact CB-CD2 4.48Å; P337-Y369 HydrophobicContact CB-CE1 3.75Å; P337-Y369 HydrophobicContact CB-CE2 4.27Å; P337-Y369 HydrophobicContact CB-CG 4.33Å; G367-Y369 VanDerWaalsContact C-N 3.28Å; Y369-L371 VanDerWaalsContact C-N 3.33Å; Y369-L371 PolarHBondContact O-N 3.05Å; Y369-E372 WeakPolarHBondContact CA-OE2 3.42Å; Y369-E372 PolarHBondContact O-N 2.88Å; Y369-A373 WeakPolarHBondContact O-CB 3.15Å; Y369-A373 PolarHBondContact O-N 3.22Å; Y369-A373 VanDerWaalsContact O-N 3.07Å
370P98.5Very high98.2Very high13 Ų1336.2 Ų36.28%0.08418%0.177CC..Hα-helixtrans-64.7-35.2-174.226.9-35.1000112.8D368 V374D368-P370 VanDerWaalsContact C-CD 3.46Å; P370-V374 WeakPolarHBondContact O-CG2 3.23Å; P370-V374 PolarHBondContact O-N 2.97Å
371L98.7Very high98.2Very high25 Ų2536.2 Ų36.213%0.13118%0.177CC..Hα-helixtrans-73-42.8-179-60.9-178.3000111.4I59 E62 M63 Y369 A373 V374 R375I59-L371 HydrophobicContact CG2-CD2 4.29Å; E62-L371 HydrophobicContact CB-CD1 3.87Å; E62-L371 HydrophobicContact CB-CD2 3.65Å; E62-L371 HydrophobicContact CB-CG 4.44Å; M63-L371 HydrophobicContact CB-CD2 4.47Å; M63-L371 HydrophobicContact CG-CD2 3.61Å; Y369-L371 VanDerWaalsContact C-N 3.33Å; Y369-L371 PolarHBondContact O-N 3.05Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.38Å; L371-V374 PolarHBondContact O-N 3.08Å; L371-R375 VanDerWaalsContact O-CG 3.31Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 3.3Å
372E98.8Very high98.3Very high65 Ų6537.4 Ų37.430%0.30418%0.179SC..Hα-helixtrans-64.3-38177.9-65.665.9-150.400111.1M333 Y369 R375 T376M333-E372 HydrophobicContact CE-CB 3.81Å; Y369-E372 WeakPolarHBondContact CA-OE2 3.42Å; Y369-E372 PolarHBondContact O-N 2.88Å; E372-R375 PolarHBondContact O-N 2.8Å; E372-R375 IonicContact OE1-NH1 3.28Å; E372-T376 VanDerWaalsContact O-CB 3.22Å; E372-T376 WeakPolarHBondContact O-CB 3.48Å; E372-T376 PolarHBondContact O-N 3.33Å; E372-T376 PolarHBondContact O-OG1 3.41Å
373A98.8Very high98.4Very high0 Ų040.6 Ų40.60%019%0.191CC..Hα-helixtrans-61.4-45.7175.400000111.7L330 M333 L360 E363 Y369 L371 T376 Q377L330-A373 WeakPolarHBondContact CD1-O 3.31Å; M333-A373 HydrophobicContact CB-CB 4.47Å; M333-A373 HydrophobicContact CE-CB 4.47Å; M333-A373 HydrophobicContact SD-CB 4.5Å; L360-A373 HydrophobicContact CD1-CB 3.92Å; L360-A373 HydrophobicContact CD2-CB 4.34Å; E363-A373 HydrophobicContact CB-CB 4.04Å; Y369-A373 WeakPolarHBondContact O-CB 3.15Å; Y369-A373 PolarHBondContact O-N 3.22Å; Y369-A373 VanDerWaalsContact O-N 3.07Å; L371-A373 VanDerWaalsContact C-N 3.32Å; L371-A373 PolarHBondContact O-N 3.38Å; A373-T376 PolarHBondContact O-N 2.6Å; A373-Q377 PolarHBondContact O-N 2.81Å
374V98.8Very high98.4Very high0 Ų040.9 Ų40.90%019%0.193CC..Hα-helixtrans-62.3-46.6175.9177.40000111.2I46 C48 M63 L360 T364 P370 L371 T376 Q377 H378I46-V374 HydrophobicContact CG2-CG1 4.47Å; C48-V374 VanDerWaalsContact SG-CG2 3.56Å; M63-V374 HydrophobicContact CE-CG2 3.91Å; L360-V374 HydrophobicContact CD1-CG2 3.93Å; T364-V374 HydrophobicContact CG2-CG2 3.92Å; P370-V374 WeakPolarHBondContact O-CG2 3.23Å; P370-V374 PolarHBondContact O-N 2.97Å; L371-V374 PolarHBondContact O-N 3.08Å; V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 PolarHBondContact O-N 3.26Å; V374-Q377 PolarHBondContact O-N 2.97Å; V374-H378 WeakPolarHBondContact O-CB 3.3Å; V374-H378 PolarHBondContact O-N 3.18Å
375R98.8Very high98.4Very high104 Ų10441.4 Ų41.439%0.39220%0.195SC..Hα-helixtrans-61.5-40.2177.8-69.3172.2-169.2150-1.6111.6S66 L371 E372 H378 M379S66-R375 PolarHBondContact OG-NE 2.92Å; L371-R375 VanDerWaalsContact O-CG 3.31Å; L371-R375 WeakPolarHBondContact O-CG 3.28Å; L371-R375 PolarHBondContact O-N 3.3Å; E372-R375 PolarHBondContact O-N 2.8Å; E372-R375 IonicContact OE1-NH1 3.28Å; R375-H378 WeakPolarHBondContact O-CB 3.32Å; R375-H378 PolarHBondContact O-N 2.8Å; R375-M379 VanDerWaalsContact O-CG 3.29Å; R375-M379 WeakPolarHBondContact O-CG 3.36Å; R375-M379 PolarHBondContact O-N 2.76Å
376T98.8Very high98.4Very high30 Ų3041 Ų4118%0.18419%0.191CC..Hα-helixtrans-64.8-47.2179.2-61.80000111L330 M333 P339 E372 A373 V374 H378 M379 I380L330-T376 HydrophobicContact CD1-CG2 3.8Å; L330-T376 HydrophobicContact CD2-CG2 4.26Å; M333-T376 HydrophobicContact SD-CG2 4.06Å; P339-T376 HydrophobicContact CG-CG2 3.82Å; E372-T376 VanDerWaalsContact O-CB 3.22Å; E372-T376 WeakPolarHBondContact O-CB 3.48Å; E372-T376 PolarHBondContact O-N 3.33Å; E372-T376 PolarHBondContact O-OG1 3.41Å; A373-T376 PolarHBondContact O-N 2.6Å; V374-T376 VanDerWaalsContact C-N 3.3Å; V374-T376 PolarHBondContact O-N 3.26Å; T376-H378 VanDerWaalsContact C-N 3.31Å; T376-H378 PolarHBondContact O-N 2.77Å; T376-M379 PolarHBondContact O-N 2.72Å; T376-I380 HydrophobicContact CG2-CD1 3.67Å; T376-I380 HydrophobicContact CG2-CG1 4.5Å; T376-I380 WeakPolarHBondContact O-CD1 3.22Å; T376-I380 VanDerWaalsContact O-CG1 3.3Å; T376-I380 WeakPolarHBondContact O-CG1 3.46Å; T376-I380 PolarHBondContact O-N 3.4Å
377Q98.6Very high98.5Very high0 Ų035.2 Ų35.20%017%0.17CC..Hα-helixtrans-59.7-41.8172.6-79.7-160.4-19.400112.2I46 L330 V347 I358 L360 A373 V374 A381I46-Q377 HydrophobicContact CD1-CB 4.02Å; I46-Q377 HydrophobicContact CG1-CB 4.29Å; L330-Q377 HydrophobicContact CD1-CG 3.58Å; L330-Q377 HydrophobicContact CG-CG 4.22Å; V347-Q377 HydrophobicContact CG2-CG 4.46Å; I358-Q377 HydrophobicContact CD1-CB 3.84Å; I358-Q377 HydrophobicContact CD1-CG 4.03Å; L360-Q377 HydrophobicContact CD1-CG 4.25Å; L360-Q377 HydrophobicContact CD2-CG 4.02Å; L360-Q377 VanDerWaalsContact CD2-NE2 3.25Å; L360-Q377 VanDerWaalsContact CG-CD 3.43Å; L360-Q377 HydrophobicContact CG-CG 4.23Å; A373-Q377 PolarHBondContact O-N 2.81Å; V374-Q377 PolarHBondContact O-N 2.97Å; Q377-A381 VanDerWaalsContact O-CB 3.22Å; Q377-A381 WeakPolarHBondContact O-CB 3.5Å; Q377-A381 PolarHBondContact O-N 2.68Å
378H98.8Very high98.6Very high43 Ų4335.3 Ų35.320%0.19917%0.17CC..Hα-helixtrans-58.3-48.9177.5170.889.7000111.9R42 I46 V374 R375 T376 R382R42-H378 WeakPolarHBondContact CD-ND1 3.49Å; I46-H378 HydrophobicContact CD1-CB 3.99Å; V374-H378 WeakPolarHBondContact O-CB 3.3Å; V374-H378 PolarHBondContact O-N 3.18Å; R375-H378 WeakPolarHBondContact O-CB 3.32Å; R375-H378 PolarHBondContact O-N 2.8Å; T376-H378 VanDerWaalsContact C-N 3.31Å; T376-H378 PolarHBondContact O-N 2.77Å; H378-R382 WeakPolarHBondContact NE2-CD 3.44Å; H378-R382 WeakPolarHBondContact O-CG 3.41Å; H378-R382 PolarHBondContact O-N 2.93Å
379M98.7Very high98.6Very high94 Ų9431.6 Ų31.646%0.46315%0.149SC..Hα-helixtrans-66.4-48.2-178.6-67.5-58.3-66.400111.7R375 T376 A381 R382 E383R375-M379 VanDerWaalsContact O-CG 3.29Å; R375-M379 WeakPolarHBondContact O-CG 3.36Å; R375-M379 PolarHBondContact O-N 2.76Å; T376-M379 PolarHBondContact O-N 2.72Å; M379-A381 VanDerWaalsContact C-N 3.32Å; M379-A381 PolarHBondContact O-N 3.24Å; M379-R382 PolarHBondContact O-N 3.48Å; M379-E383 PolarHBondContact O-N 3.09Å
380I98.8Very high98.5Very high32 Ų3228.4 Ų28.416%0.16414%0.137CC..Hα-helixtrans-62.1-42.1-179.8-63.3162.2000111L330 V347 A348 T376 R382 E383 A384L330-I380 HydrophobicContact CD2-CD1 4.48Å; V347-I380 HydrophobicContact CB-CB 4.44Å; V347-I380 HydrophobicContact CB-CD1 4.26Å; V347-I380 HydrophobicContact CB-CG2 3.89Å; V347-I380 HydrophobicContact CG1-CB 3.93Å; V347-I380 HydrophobicContact CG1-CD1 4.42Å; V347-I380 HydrophobicContact CG1-CG2 3.66Å; A348-I380 HydrophobicContact CB-CG2 3.78Å; T376-I380 HydrophobicContact CG2-CD1 3.67Å; T376-I380 HydrophobicContact CG2-CG1 4.5Å; T376-I380 WeakPolarHBondContact O-CD1 3.22Å; T376-I380 VanDerWaalsContact O-CG1 3.3Å; T376-I380 WeakPolarHBondContact O-CG1 3.46Å; T376-I380 PolarHBondContact O-N 3.4Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.37Å; I380-E383 PolarHBondContact O-N 3.42Å; I380-A384 WeakPolarHBondContact O-CB 3.25Å; I380-A384 PolarHBondContact O-N 3.47Å
381A98.8Very high98.2Very high0 Ų034.4 Ų34.40%016%0.158CC..Hα-helixtrans-62.8-40179.600000112.2R42 V351 I358 Q377 M379 E383 A384 E385R42-A381 HydrophobicContact CG-CB 4.07Å; V351-A381 HydrophobicContact CG2-CB 4.11Å; I358-A381 HydrophobicContact CD1-CB 4.21Å; Q377-A381 VanDerWaalsContact O-CB 3.22Å; Q377-A381 WeakPolarHBondContact O-CB 3.5Å; Q377-A381 PolarHBondContact O-N 2.68Å; M379-A381 VanDerWaalsContact C-N 3.32Å; M379-A381 PolarHBondContact O-N 3.24Å; A381-E383 PolarHBondContact O-N 3.26Å; A381-A384 PolarHBondContact O-N 3.39Å; A381-E385 VanDerWaalsContact O-CB 3.28Å; A381-E385 WeakPolarHBondContact O-CB 3.33Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 2.79Å
382R98.5Very high98.1Very high44 Ų4437.3 Ų37.317%0.16617%0.171CC..Hα-helixtrans-62.4-42.4176.7-7617760.4-147.8-7.9112.5P38 T39 R42 H378 M379 I380 A386P38-R382 HydrophobicContact CB-CB 4.28Å; P38-R382 HydrophobicContact CG-CB 4.2Å; P38-R382 PolarHBondContact O-NH2 2.88Å; T39-R382 PolarHBondContact O-NE 2.85Å; T39-R382 PolarHBondContact O-NH2 3.41Å; R42-R382 HydrophobicContact CB-CG 3.54Å; R42-R382 HydrophobicContact CG-CG 3.73Å; H378-R382 WeakPolarHBondContact NE2-CD 3.44Å; H378-R382 WeakPolarHBondContact O-CG 3.41Å; H378-R382 PolarHBondContact O-N 2.93Å; M379-R382 PolarHBondContact O-N 3.48Å; I380-R382 VanDerWaalsContact C-N 3.35Å; I380-R382 PolarHBondContact O-N 3.37Å; R382-A386 PolarHBondContact O-N 3.21Å; R382-A386 VanDerWaalsContact O-N 3.15Å
383E98.8Very high98.1Very high78 Ų7836.2 Ų36.236%0.36417%0.169SC..Hα-helixtrans-65.3-47.7176.3-64.4-61.9169.400111.5P38 M379 I380 A381 E385 A386 A387P38-E383 VanDerWaalsContact CD-OE1 3.29Å; P38-E383 WeakPolarHBondContact CD-OE1 3.12Å; P38-E383 WeakPolarHBondContact CG-OE1 3.29Å; M379-E383 PolarHBondContact O-N 3.09Å; I380-E383 PolarHBondContact O-N 3.42Å; A381-E383 PolarHBondContact O-N 3.26Å; E383-E385 VanDerWaalsContact C-N 3.31Å; E383-E385 PolarHBondContact O-N 3.28Å; E383-A386 PolarHBondContact O-N 3.5Å; E383-A386 VanDerWaalsContact O-N 3.17Å; E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 3Å
384A98.8Very high98Very high5 Ų536.8 Ų36.84%0.04117%0.171CC..Hα-helixtrans-63.9-35.9179.100000112.5A348 V351 L352 I380 A381 A387 M388A348-A384 HydrophobicContact CB-CB 4.15Å; V351-A384 HydrophobicContact CB-CB 3.8Å; V351-A384 HydrophobicContact CG1-CB 3.7Å; L352-A384 VanDerWaalsContact CD2-O 3.29Å; L352-A384 WeakPolarHBondContact CD2-O 3.35Å; L352-A384 HydrophobicContact CG-CB 4.32Å; I380-A384 WeakPolarHBondContact O-CB 3.25Å; I380-A384 PolarHBondContact O-N 3.47Å; A381-A384 PolarHBondContact O-N 3.39Å; A384-A387 PolarHBondContact O-N 3.41Å; A384-M388 PolarHBondContact O-N 3.25Å
385E98.6Very high97.9Very high12 Ų1239.1 Ų39.16%0.05618%0.182CC..Hα-helixtrans-62.8-43.2173.1-76.1158.2-161.400111.6R42 N43 T44 V351 A381 E383 A387 M388 H390R42-E385 WeakPolarHBondContact CA-OE2 3.38Å; N43-E385 HydrophobicContact CB-CG 4.34Å; N43-E385 PolarHBondContact N-OE1 3.26Å; N43-E385 VanDerWaalsContact N-OE1 3.14Å; N43-E385 PolarHBondContact N-OE2 3.42Å; T44-E385 VanDerWaalsContact CB-OE1 3.25Å; T44-E385 WeakPolarHBondContact CB-OE1 3.34Å; T44-E385 PolarHBondContact N-OE1 3.11Å; T44-E385 PolarHBondContact OG1-OE1 2.91Å; V351-E385 HydrophobicContact CG1-CG 3.87Å; A381-E385 VanDerWaalsContact O-CB 3.28Å; A381-E385 WeakPolarHBondContact O-CB 3.33Å; A381-E385 WeakPolarHBondContact O-CG 3.43Å; A381-E385 PolarHBondContact O-N 2.79Å; E383-E385 VanDerWaalsContact C-N 3.31Å; E383-E385 PolarHBondContact O-N 3.28Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-M388 WeakPolarHBondContact O-CB 3.21Å; E385-M388 PolarHBondContact O-N 3.23Å; E385-H390 PolarHBondContact O-CE1 3.45Å; E385-H390 VanDerWaalsContact O-CE1 3.25Å
386A97.9Very high97.9Very high6 Ų638.2 Ų38.25%0.0519%0.185CC..Hα-helixtrans-64.6-39.9175.800000111.8Q16 P38 R382 E383 M388Q16-A386 HydrophobicContact CG-CB 3.96Å; P38-A386 HydrophobicContact CB-CB 4Å; R382-A386 PolarHBondContact O-N 3.21Å; R382-A386 VanDerWaalsContact O-N 3.15Å; E383-A386 PolarHBondContact O-N 3.5Å; E383-A386 VanDerWaalsContact O-N 3.17Å; A386-M388 PolarHBondContact O-N 3.5Å
387A98.5Very high97.8Very high18 Ų1837.4 Ų37.415%0.14918%0.179CC..THydrogen-bonded Turntrans-74.4-2.417900000114.7H28 L32 L352 E383 A384 E385H28-A387 PolarHBondContact CE1-O 2.99Å; H28-A387 PolarHBondContact NE2-O 2.9Å; L32-A387 HydrophobicContact CD2-CB 3.82Å; L352-A387 HydrophobicContact CD2-CB 4.36Å; E383-A387 WeakPolarHBondContact O-CB 3.46Å; E383-A387 PolarHBondContact O-N 3Å; A384-A387 PolarHBondContact O-N 3.41Å; E385-A387 VanDerWaalsContact C-N 3.34Å
388M97.9Very high97.6Very high5 Ų542.3 Ų42.33%0.02520%0.198CC..SBendtrans-71.4133.4178.8-177.3176.4-69.900111.5V351 L352 A384 E385 A386 H390 V393V351-M388 WeakPolarHBondContact O-CE 3.15Å; L352-M388 HydrophobicContact CD2-CB 4.36Å; A384-M388 PolarHBondContact O-N 3.25Å; E385-M388 WeakPolarHBondContact O-CB 3.21Å; E385-M388 PolarHBondContact O-N 3.23Å; A386-M388 PolarHBondContact O-N 3.5Å; M388-H390 VanDerWaalsContact C-N 3.26Å; M388-H390 PolarHBondContact O-N 2.97Å; M388-H390 PolarHBondContact O-ND1 3.18Å; M388-V393 HydrophobicContact CG-CG2 4.26Å
389F98Very high97.5Very high14 Ų1449.1 Ų49.16%0.06122%0.222CC..  trans-78.971.9175.9-167.6-141.7000112.3A22 F25 H28 R391 Q392 V393A22-F389 HydrophobicContact CB-CE2 4.5Å; A22-F389 WeakPolarHBondContact O-CZ 3.27Å; F25-F389 HydrophobicContact CB-CD1 4.24Å; F25-F389 HydrophobicContact CB-CE1 4.41Å; F25-F389 HydrophobicContact CD2-CB 4.01Å; F25-F389 AromaticContact CD2-CD1 3.88Å; F25-F389 HydrophobicContact CD2-CD1 3.88Å; F25-F389 HydrophobicContact CD2-CG 4.26Å; F25-F389 HydrophobicContact CE2-CB 4.28Å; H28-F389 HydrophobicContact CB-CD2 3.95Å; H28-F389 HydrophobicContact CB-CE2 4.17Å; H28-F389 HydrophobicContact CB-CG 4.22Å; H28-F389 AromaticContact CG-CD2 3.67Å; H28-F389 AromaticContact CG-CG 3.87Å; H28-F389 AromaticContact ND1-CD2 3.62Å; F389-R391 HydrophobicContact CD2-CB 4.46Å; F389-R391 HydrophobicContact CE2-CB 4Å; F389-R391 HydrophobicContact CZ-CB 4.25Å; F389-R391 PolarHBondContact O-N 2.92Å; F389-R391 VanDerWaalsContact O-N 3.14Å; F389-Q392 HydrophobicContact CD1-CB 3.44Å; F389-Q392 VanDerWaalsContact CD1-CB 3.44Å; F389-Q392 HydrophobicContact CD1-CG 4.49Å; F389-Q392 HydrophobicContact CE1-CB 3.66Å; F389-Q392 HydrophobicContact CG-CB 4.32Å; F389-Q392 PolarHBondContact O-N 3.44Å; F389-Q392 VanDerWaalsContact O-N 3.17Å; F389-V393 PolarHBondContact O-N 2.61Å
390H96.4Very high97.3Very high8 Ų846.6 Ų46.64%0.03721%0.213CC..Hα-helixtrans-55.6-34.2-172.1-6981.8000114E385 M388 Q392 V393 F394 F420E385-H390 PolarHBondContact O-CE1 3.45Å; E385-H390 VanDerWaalsContact O-CE1 3.25Å; M388-H390 VanDerWaalsContact C-N 3.26Å; M388-H390 PolarHBondContact O-N 2.97Å; M388-H390 PolarHBondContact O-ND1 3.18Å; H390-Q392 VanDerWaalsContact C-N 3.33Å; H390-Q392 PolarHBondContact O-N 2.79Å; H390-V393 PolarHBondContact O-N 2.76Å; H390-F394 VanDerWaalsContact O-CB 3.25Å; H390-F394 WeakPolarHBondContact O-CB 3.34Å; H390-F394 PolarHBondContact O-N 3.14Å; H390-F420 HydrophobicContact CB-CE1 3.71Å; H390-F420 HydrophobicContact CB-CZ 3.93Å
391R93.1Very high96.9Very high139 Ų13945.9 Ų45.953%0.52521%0.211SC..Hα-helixtrans-56.4-46.9179.2-177.9178178.8-179.8-3.5111.7A22 D23 F389 E395A22-R391 PolarHBondContact O-NH1 2.97Å; D23-R391 IonicContact OD1-CZ 3.58Å; D23-R391 IonicContact OD1-NH1 2.82Å; D23-R391 PolarHBondContact OD1-NH1 3.33Å; D23-R391 IonicContact OD1-NH2 3.05Å; D23-R391 PolarHBondContact OD1-NH2 3.2Å; F389-R391 HydrophobicContact CD2-CB 4.46Å; F389-R391 HydrophobicContact CE2-CB 4Å; F389-R391 HydrophobicContact CZ-CB 4.25Å; F389-R391 PolarHBondContact O-N 2.92Å; F389-R391 VanDerWaalsContact O-N 3.14Å; R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 PolarHBondContact O-N 3.46Å
392Q96.8Very high96.5Very high86 Ų8650.7 Ų50.740%0.40224%0.242SC..Hα-helixtrans-73.6-47.3178.2-179174.9-200111.3F389 H390 F394 E395 D396F389-Q392 HydrophobicContact CD1-CB 3.44Å; F389-Q392 VanDerWaalsContact CD1-CB 3.44Å; F389-Q392 HydrophobicContact CD1-CG 4.49Å; F389-Q392 HydrophobicContact CE1-CB 3.66Å; F389-Q392 HydrophobicContact CG-CB 4.32Å; F389-Q392 PolarHBondContact O-N 3.44Å; F389-Q392 VanDerWaalsContact O-N 3.17Å; H390-Q392 VanDerWaalsContact C-N 3.33Å; H390-Q392 PolarHBondContact O-N 2.79Å; Q392-F394 VanDerWaalsContact C-N 3.34Å; Q392-F394 PolarHBondContact O-N 2.69Å; Q392-E395 PolarHBondContact O-N 2.85Å; Q392-D396 PolarHBondContact O-N 3.26Å
393V97.4Very high96.1Very high43 Ų4358.2 Ų58.226%0.26128%0.278SS..Hα-helixtrans-56.5-47.3-178.31730000111.6M388 F389 H390 D396 L397 R444M388-V393 HydrophobicContact CG-CG2 4.26Å; F389-V393 PolarHBondContact O-N 2.61Å; H390-V393 PolarHBondContact O-N 2.76Å; V393-D396 PolarHBondContact O-N 3.41Å; V393-L397 HydrophobicContact CG1-CD1 3.75Å; V393-L397 WeakPolarHBondContact O-CB 3.24Å; V393-L397 WeakPolarHBondContact O-CD1 3.46Å; V393-L397 VanDerWaalsContact O-CG 3.24Å; V393-L397 WeakPolarHBondContact O-CG 3.4Å; V393-L397 PolarHBondContact O-N 3.31Å; V393-L397 VanDerWaalsContact O-N 3.07Å; V393-R444 HydrophobicContact CG1-CB 4.09Å; V393-R444 HydrophobicContact CG1-CG 4.34Å
394F97.8Very high95.4Very high12 Ų1257.2 Ų57.25%0.05328%0.279CS..Hα-helixtrans-65-41.6179.4174.5-112000112.2H390 Q392 L397 R398 I413 V416 E417 F420 Y443H390-F394 VanDerWaalsContact O-CB 3.25Å; H390-F394 WeakPolarHBondContact O-CB 3.34Å; H390-F394 PolarHBondContact O-N 3.14Å; Q392-F394 VanDerWaalsContact C-N 3.34Å; Q392-F394 PolarHBondContact O-N 2.69Å; F394-L397 PolarHBondContact O-N 3.12Å; F394-R398 WeakPolarHBondContact O-CB 3.49Å; F394-R398 PolarHBondContact O-N 3.47Å; F394-I413 HydrophobicContact CZ-CG2 4.4Å; F394-V416 HydrophobicContact CD2-CG1 3.71Å; F394-V416 HydrophobicContact CE2-CB 4.04Å; F394-V416 HydrophobicContact CE2-CG1 3.54Å; F394-V416 HydrophobicContact CZ-CG1 4.33Å; F394-E417 HydrophobicContact CE1-CB 4.4Å; F394-E417 VanDerWaalsContact CE1-OE2 3.24Å; F394-E417 WeakPolarHBondContact CE1-OE2 3.25Å; F394-E417 HydrophobicContact CZ-CB 4.08Å; F394-F420 HydrophobicContact CB-CE2 3.83Å; F394-F420 HydrophobicContact CB-CZ 4.35Å; F394-F420 HydrophobicContact CD1-CD2 4.17Å; F394-F420 HydrophobicContact CD1-CE2 4.1Å; F394-F420 AromaticContact CD2-CE2 3.96Å; F394-F420 HydrophobicContact CD2-CE2 3.96Å; F394-F420 HydrophobicContact CE1-CD2 4.49Å; F394-F420 HydrophobicContact CG-CD2 4.21Å; F394-F420 AromaticContact CG-CE2 3.68Å; F394-F420 HydrophobicContact CG-CE2 3.68Å; F394-Y443 WeakPolarHBondContact CD2-O 3.47Å; F394-Y443 HydrophobicContact CE2-CD1 4.47Å
395E97Very high95Very high48 Ų4865.2 Ų65.222%0.22432%0.321CS..Hα-helixtrans-64.6-43.2178.3-178.365.9174.400112R391 Q392 L397 R398 R399R391-E395 WeakPolarHBondContact O-CB 3.4Å; R391-E395 PolarHBondContact O-N 3.46Å; Q392-E395 PolarHBondContact O-N 2.85Å; E395-L397 PolarHBondContact O-N 3.19Å; E395-R398 PolarHBondContact O-N 3.22Å; E395-R398 IonicContact OE1-NH2 3.14Å; E395-R398 PolarHBondContact OE1-NH2 2.68Å; E395-R398 IonicContact OE2-CZ 3.91Å; E395-R398 IonicContact OE2-NE 3.59Å; E395-R398 PolarHBondContact OE2-NE 3.36Å; E395-R398 IonicContact OE2-NH2 2.7Å; E395-R398 PolarHBondContact OE2-NH2 3.5Å; E395-R399 WeakPolarHBondContact O-CB 3.43Å; E395-R399 VanDerWaalsContact O-CG 3.3Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 3Å; E395-R399 IonicContact OE1-CZ 2.85Å; E395-R399 IonicContact OE1-NE 3.83Å; E395-R399 PolarHBondContact OE1-NE 3.41Å; E395-R399 IonicContact OE1-NH2 3.41Å; E395-R399 PolarHBondContact OE1-NH2 2.88Å
396D97.4Very high94.8Very high85 Ų8566.4 Ų66.446%0.45533%0.328SS..Hα-helixtrans-63.9-40.8177.6-71.3-20.1000111.6Q392 V393 S400Q392-D396 PolarHBondContact O-N 3.26Å; V393-D396 PolarHBondContact O-N 3.41Å; D396-S400 VanDerWaalsContact O-CB 3.26Å; D396-S400 WeakPolarHBondContact O-CB 3.31Å; D396-S400 PolarHBondContact O-N 3.33Å; D396-S400 PolarHBondContact O-OG 2.64Å
397L97.3Very high94.7Very high13 Ų1369.9 Ų69.97%0.06835%0.35CS..Hα-helixtrans-66.2-43.9175.9-71.8164000112N317 V393 F394 E395 S400 T401 R442 Y443 R444N317-L397 HydrophobicContact CB-CD2 4.36Å; V393-L397 HydrophobicContact CG1-CD1 3.75Å; V393-L397 WeakPolarHBondContact O-CB 3.24Å; V393-L397 WeakPolarHBondContact O-CD1 3.46Å; V393-L397 VanDerWaalsContact O-CG 3.24Å; V393-L397 WeakPolarHBondContact O-CG 3.4Å; V393-L397 PolarHBondContact O-N 3.31Å; V393-L397 VanDerWaalsContact O-N 3.07Å; F394-L397 PolarHBondContact O-N 3.12Å; E395-L397 PolarHBondContact O-N 3.19Å; L397-S400 WeakPolarHBondContact CA-OG 3.34Å; L397-S400 PolarHBondContact O-N 2.81Å; L397-S400 PolarHBondContact O-OG 2.83Å; L397-S400 VanDerWaalsContact O-OG 3.09Å; L397-T401 PolarHBondContact O-N 3.09Å; L397-T401 PolarHBondContact O-OG1 2.79Å; L397-R442 WeakPolarHBondContact CD1-O 3.38Å; L397-Y443 HydrophobicContact CB-CD1 4.36Å; L397-R444 HydrophobicContact CD1-CB 3.77Å; L397-R444 HydrophobicContact CD1-CG 3.43Å; L397-R444 VanDerWaalsContact CD1-CG 3.43Å
398R95.4Very high94.5Very high103 Ų10369.3 Ų69.339%0.38935%0.346SS..Hα-helixtrans-61.6-45.3177.4-172.7179.971139.84.9111.4F394 E395 T401 I413F394-R398 WeakPolarHBondContact O-CB 3.49Å; F394-R398 PolarHBondContact O-N 3.47Å; E395-R398 PolarHBondContact O-N 3.22Å; E395-R398 IonicContact OE1-NH2 3.14Å; E395-R398 PolarHBondContact OE1-NH2 2.68Å; E395-R398 IonicContact OE2-CZ 3.91Å; E395-R398 IonicContact OE2-NE 3.59Å; E395-R398 PolarHBondContact OE2-NE 3.36Å; E395-R398 IonicContact OE2-NH2 2.7Å; E395-R398 PolarHBondContact OE2-NH2 3.5Å; R398-T401 PolarHBondContact O-N 3.09Å; R398-I413 HydrophobicContact CG-CG2 4.31Å
399R95.4Very high94.4Very high186 Ų18670.1 Ų70.170%0.70235%0.349SS*.Hα-helixtrans-69.2-32.3179.3-72.8179.5-178.5-157.84.7113.7E395 T401E395-R399 WeakPolarHBondContact O-CB 3.43Å; E395-R399 VanDerWaalsContact O-CG 3.3Å; E395-R399 WeakPolarHBondContact O-CG 3.4Å; E395-R399 PolarHBondContact O-N 3Å; E395-R399 IonicContact OE1-CZ 2.85Å; E395-R399 IonicContact OE1-NE 3.83Å; E395-R399 PolarHBondContact OE1-NE 3.41Å; E395-R399 IonicContact OE1-NH2 3.41Å; E395-R399 PolarHBondContact OE1-NH2 2.88Å; R399-T401 VanDerWaalsContact C-N 3.31Å
400S94.1Very high94.2Very high41 Ų4172.1 Ų72.129%0.28737%0.368SS..Hα-helixtrans-81.8-11.2-179.961.30000113.8D396 L397D396-S400 VanDerWaalsContact O-CB 3.26Å; D396-S400 WeakPolarHBondContact O-CB 3.31Å; D396-S400 PolarHBondContact O-N 3.33Å; D396-S400 PolarHBondContact O-OG 2.64Å; L397-S400 WeakPolarHBondContact CA-OG 3.34Å; L397-S400 PolarHBondContact O-N 2.81Å; L397-S400 PolarHBondContact O-OG 2.83Å; L397-S400 VanDerWaalsContact O-OG 3.09Å
401T91.2Very high94.2Very high18 Ų1873.5 Ų73.511%0.1138%0.376CS..SBendtrans-81.8123.2176.6-590000110L397 R398 R399 Y443L397-T401 PolarHBondContact O-N 3.09Å; L397-T401 PolarHBondContact O-OG1 2.79Å; R398-T401 PolarHBondContact O-N 3.09Å; R399-T401 VanDerWaalsContact C-N 3.31Å; T401-Y443 VanDerWaalsContact CG2-OH 3.23Å; T401-Y443 WeakPolarHBondContact CG2-OH 3Å; T401-Y443 PolarHBondContact OG1-OH 3.47Å
402P89.9Confident94.4Very high100 Ų10067 Ų6765%0.64935%0.351SS*.PPolyproline II helixtrans-61.4150.2173.9-20.732.5000112C404P402-C404 PolarHBondContact O-N 2.75Å
403H90Very high94.4Very high203 Ų20364.8 Ų64.894%0.9434%0.342SS*.PPolyproline II helixtrans-59.9127.2168.7-62.6-53.2000110.1
404C85Confident94.5Very high56 Ų5664.1 Ų64.138%0.37834%0.344SS..  trans-131.1156.3178.576.80000111P402 D406 E409P402-C404 PolarHBondContact O-N 2.75Å; C404-D406 VanDerWaalsContact C-N 3.32Å; C404-E409 PolarHBondContact SG-OE2 2.96Å
405N90.8Very high94.5Very high173 Ų17363.6 Ų63.693%0.92534%0.342SS*.  trans-92.911.2176.2-67-27.2000112.4P407N405-P407 WeakPolarHBondContact O-CD 3.25Å
406D94.4Very high94.5Very high38 Ų3861.3 Ų61.320%0.20333%0.331CS..  trans-79111.8178.3-179.56.1000110.4C404 A408 E409 A410 R435C404-D406 VanDerWaalsContact C-N 3.32Å; D406-A408 PolarHBondContact O-N 2.83Å; D406-A408 WeakPolarHBondContact OD1-CB 3.49Å; D406-A408 PolarHBondContact OD1-N 3.23Å; D406-E409 HydrophobicContact CB-CB 4.21Å; D406-E409 PolarHBondContact O-N 3.49Å; D406-A410 PolarHBondContact O-N 3.43Å; D406-R435 IonicContact OD1-NH1 3.37Å; D406-R435 IonicContact OD2-CZ 2.99Å; D406-R435 IonicContact OD2-NH1 3.11Å; D406-R435 PolarHBondContact OD2-NH1 2.97Å; D406-R435 IonicContact OD2-NH2 2.94Å; D406-R435 PolarHBondContact OD2-NH2 3.39Å
407P94.4Very high94.6Very high79 Ų7961.4 Ų61.451%0.51333%0.329SS..Hα-helixtrans-61.4-30.4-179-21.534.7000113.1N405 E409 I411N405-P407 WeakPolarHBondContact O-CD 3.25Å; P407-E409 VanDerWaalsContact C-N 3.34Å; P407-I411 WeakPolarHBondContact O-CB 3.31Å; P407-I411 PolarHBondContact O-N 3.48Å
408A94.7Very high94.6Very high6 Ų661.7 Ų61.75%0.0533%0.333CS..Hα-helixtrans-68.7-36.1-179.200000111.7D406 A412 L439 T521D406-A408 PolarHBondContact O-N 2.83Å; D406-A408 WeakPolarHBondContact OD1-CB 3.49Å; D406-A408 PolarHBondContact OD1-N 3.23Å; A408-A412 WeakPolarHBondContact O-CB 3.32Å; A408-A412 PolarHBondContact O-N 3.32Å; A408-L439 HydrophobicContact CB-CD1 3.92Å; A408-T521 WeakPolarHBondContact CA-O 3.49Å
409E95.4Very high94.7Very high21 Ų2157 Ų5710%0.09832%0.316CS..Hα-helixtrans-72.7-44.7176.8178.8153.9-135.400111.4C404 D406 P407 I411 A412 I413 L439 R442 Y443C404-E409 PolarHBondContact SG-OE2 2.96Å; D406-E409 HydrophobicContact CB-CB 4.21Å; D406-E409 PolarHBondContact O-N 3.49Å; P407-E409 VanDerWaalsContact C-N 3.34Å; E409-I411 VanDerWaalsContact C-N 3.27Å; E409-I411 PolarHBondContact O-N 3.46Å; E409-A412 PolarHBondContact O-N 2.97Å; E409-A412 VanDerWaalsContact O-N 3.14Å; E409-I413 WeakPolarHBondContact O-CG1 3.47Å; E409-I413 PolarHBondContact O-N 3.1Å; E409-L439 HydrophobicContact CB-CD1 4.47Å; E409-L439 HydrophobicContact CB-CD2 4.41Å; E409-R442 IonicContact OE1-CZ 2.8Å; E409-R442 IonicContact OE1-NH1 3.41Å; E409-R442 PolarHBondContact OE1-NH1 3.41Å; E409-Y443 HydrophobicContact CG-CE2 4.49Å; E409-Y443 PolarHBondContact OE1-OH 3.32Å
410A95.4Very high94.7Very high56 Ų5650.6 Ų50.646%0.46329%0.293SS..Hα-helixtrans-56.9-42.6175.500000111.9D406 I413 G414D406-A410 PolarHBondContact O-N 3.43Å; A410-I413 PolarHBondContact O-N 3.33Å; A410-G414 PolarHBondContact O-N 3.07Å
411I96.1Very high94.7Very high38 Ų3857 Ų5720%0.19532%0.316CS..Hα-helixtrans-73.9-31.5178.5-78.7168.5000112.6P407 E409 G414 A415 L511 N522 M524P407-I411 WeakPolarHBondContact O-CB 3.31Å; P407-I411 PolarHBondContact O-N 3.48Å; E409-I411 VanDerWaalsContact C-N 3.27Å; E409-I411 PolarHBondContact O-N 3.46Å; I411-G414 PolarHBondContact O-N 3.37Å; I411-A415 VanDerWaalsContact O-CB 3.22Å; I411-A415 WeakPolarHBondContact O-CB 3.48Å; I411-A415 PolarHBondContact O-N 3.26Å; I411-L511 HydrophobicContact CG2-CD2 3.72Å; I411-L511 HydrophobicContact CG2-CG 4.39Å; I411-N522 HydrophobicContact CD1-CB 3.91Å; I411-N522 WeakPolarHBondContact CD1-O 3.46Å; I411-M524 HydrophobicContact CG2-CB 4.34Å
412A97.4Very high94.8Very high2 Ų258.3 Ų58.32%0.01733%0.326CS..Hα-helixtrans-62-45172.400000111.5A408 E409 A415 V416 L439 L440 Y443A408-A412 WeakPolarHBondContact O-CB 3.32Å; A408-A412 PolarHBondContact O-N 3.32Å; E409-A412 PolarHBondContact O-N 2.97Å; E409-A412 VanDerWaalsContact O-N 3.14Å; A412-A415 PolarHBondContact O-N 2.82Å; A412-V416 WeakPolarHBondContact O-CG2 3.48Å; A412-V416 PolarHBondContact O-N 3.14Å; A412-L439 HydrophobicContact CB-CB 3.78Å; A412-L440 HydrophobicContact CB-CD2 4.07Å; A412-L440 HydrophobicContact CB-CG 4.33Å; A412-Y443 HydrophobicContact CB-CD2 4.34Å; A412-Y443 HydrophobicContact CB-CE2 4.38Å
413I96.9Very high94.9Very high39 Ų3959.1 Ų59.120%0.232%0.324CS..Hα-helixtrans-60.1-50.6174.6-62.2168.6000110.3F394 R398 E409 A410 A415 V416 E417 Y443F394-I413 HydrophobicContact CZ-CG2 4.4Å; R398-I413 HydrophobicContact CG-CG2 4.31Å; E409-I413 WeakPolarHBondContact O-CG1 3.47Å; E409-I413 PolarHBondContact O-N 3.1Å; A410-I413 PolarHBondContact O-N 3.33Å; I413-A415 VanDerWaalsContact C-N 3.29Å; I413-A415 PolarHBondContact O-N 3.22Å; I413-V416 PolarHBondContact O-N 3.32Å; I413-E417 WeakPolarHBondContact O-CB 3.26Å; I413-E417 PolarHBondContact O-N 3.06Å; I413-Y443 HydrophobicContact CD1-CE1 4.04Å; I413-Y443 HydrophobicContact CD1-CE2 4.25Å; I413-Y443 WeakPolarHBondContact CD1-OH 3.48Å; I413-Y443 HydrophobicContact CG1-CD1 4.07Å; I413-Y443 HydrophobicContact CG1-CD2 3.87Å; I413-Y443 HydrophobicContact CG1-CE1 3.59Å; I413-Y443 HydrophobicContact CG1-CE2 3.38Å; I413-Y443 HydrophobicContact CG1-CG 4.21Å
414G97.6Very high95.2Very high30 Ų3049.9 Ų49.931%0.30928%0.283SS..Hα-helixtrans-60.6-37.2-179.300000113.3A410 I411 A418A410-G414 PolarHBondContact O-N 3.07Å; I411-G414 PolarHBondContact O-N 3.37Å; G414-A418 WeakPolarHBondContact O-CB 3.47Å; G414-A418 PolarHBondContact O-N 3.24Å
415A98.3Very high95.8Very high0 Ų048.8 Ų48.80%028%0.276CS..Hα-helixtrans-68.8-40.5176.200000113I411 A412 I413 A418 S419 L440 I509 L511 M524I411-A415 VanDerWaalsContact O-CB 3.22Å; I411-A415 WeakPolarHBondContact O-CB 3.48Å; I411-A415 PolarHBondContact O-N 3.26Å; A412-A415 PolarHBondContact O-N 2.82Å; I413-A415 VanDerWaalsContact C-N 3.29Å; I413-A415 PolarHBondContact O-N 3.22Å; A415-A418 PolarHBondContact O-N 2.82Å; A415-S419 WeakPolarHBondContact O-CB 3.07Å; A415-S419 PolarHBondContact O-N 3.11Å; A415-L440 HydrophobicContact CB-CD2 3.86Å; A415-I509 HydrophobicContact CB-CG2 4.03Å; A415-L511 HydrophobicContact CB-CD1 3.74Å; A415-L511 HydrophobicContact CB-CD2 4.08Å; A415-L511 HydrophobicContact CB-CG 4.28Å; A415-M524 WeakPolarHBondContact CA-SD 3.46Å; A415-M524 HydrophobicContact CB-CG 4.42Å; A415-M524 HydrophobicContact CB-SD 3.81Å
416V98.2Very high96.1Very high0 Ų040.5 Ų40.50%023%0.232CC..Hα-helixtrans-68.7-42177172.40000110.8F394 A412 I413 A418 S419 F420 I427 L440 P445F394-V416 HydrophobicContact CD2-CG1 3.71Å; F394-V416 HydrophobicContact CE2-CB 4.04Å; F394-V416 HydrophobicContact CE2-CG1 3.54Å; F394-V416 HydrophobicContact CZ-CG1 4.33Å; A412-V416 WeakPolarHBondContact O-CG2 3.48Å; A412-V416 PolarHBondContact O-N 3.14Å; I413-V416 PolarHBondContact O-N 3.32Å; V416-A418 PolarHBondContact O-N 2.73Å; V416-S419 WeakPolarHBondContact O-CB 3.27Å; V416-S419 PolarHBondContact O-N 3.21Å; V416-S419 PolarHBondContact O-OG 2.98Å; V416-F420 HydrophobicContact CG1-CD2 3.95Å; V416-F420 HydrophobicContact CG1-CE2 3.49Å; V416-F420 VanDerWaalsContact CG1-CE2 3.49Å; V416-F420 HydrophobicContact CG1-CZ 4.39Å; V416-F420 VanDerWaalsContact O-CD2 3.23Å; V416-F420 WeakPolarHBondContact O-CD2 3.18Å; V416-F420 PolarHBondContact O-N 3.44Å; V416-F420 VanDerWaalsContact O-N 3.08Å; V416-I427 HydrophobicContact CG2-CD1 4.2Å; V416-L440 HydrophobicContact CG2-CD2 4.03Å; V416-P445 HydrophobicContact CG1-CB 4.05Å; V416-P445 HydrophobicContact CG2-CB 4.12Å; V416-P445 HydrophobicContact CG2-CG 4.12Å
417E97.9Very high96.3Very high87 Ų8738.7 Ų38.741%0.40722%0.222SC..Hα-helixtrans-55.8-49.6170.6179.774.6-131.700111.4F394 I413 S419 F420 K421F394-E417 HydrophobicContact CE1-CB 4.4Å; F394-E417 VanDerWaalsContact CE1-OE2 3.24Å; F394-E417 WeakPolarHBondContact CE1-OE2 3.25Å; F394-E417 HydrophobicContact CZ-CB 4.08Å; I413-E417 WeakPolarHBondContact O-CB 3.26Å; I413-E417 PolarHBondContact O-N 3.06Å; E417-S419 VanDerWaalsContact C-N 3.28Å; E417-S419 PolarHBondContact O-N 3.04Å; E417-F420 PolarHBondContact O-N 3.39Å; E417-K421 PolarHBondContact O-N 2.92Å
418A98.1Very high96.5Very high20 Ų2035 Ų3517%0.16520%0.198CC..Hα-helixtrans-59.5-40.1177.400000111.8G414 A415 V416 F420 K421 S422 I509 M524G414-A418 WeakPolarHBondContact O-CB 3.47Å; G414-A418 PolarHBondContact O-N 3.24Å; A415-A418 PolarHBondContact O-N 2.82Å; V416-A418 PolarHBondContact O-N 2.73Å; A418-F420 VanDerWaalsContact C-N 3.34Å; A418-F420 PolarHBondContact O-N 3.4Å; A418-K421 PolarHBondContact O-N 3.2Å; A418-S422 PolarHBondContact O-N 3.36Å; A418-S422 PolarHBondContact O-OG 3.43Å; A418-S422 VanDerWaalsContact O-OG 3.08Å; A418-I509 HydrophobicContact CB-CD1 4.09Å; A418-M524 HydrophobicContact CB-SD 4.35Å
419S97.2Very high96.7Very high4 Ų434.7 Ų34.73%0.02820%0.195CC..Hα-helixtrans-61.9-39.517881.20000112.7A415 V416 E417 L423 A424A415-S419 WeakPolarHBondContact O-CB 3.07Å; A415-S419 PolarHBondContact O-N 3.11Å; V416-S419 WeakPolarHBondContact O-CB 3.27Å; V416-S419 PolarHBondContact O-N 3.21Å; V416-S419 PolarHBondContact O-OG 2.98Å; E417-S419 VanDerWaalsContact C-N 3.28Å; E417-S419 PolarHBondContact O-N 3.04Å; S419-L423 WeakPolarHBondContact O-CA 3.44Å; S419-L423 PolarHBondContact O-N 3.17Å; S419-L423 VanDerWaalsContact O-N 3.15Å; S419-A424 PolarHBondContact O-N 2.93Å
420F95.1Very high96.8Very high51 Ų5134.3 Ų34.322%0.22419%0.194CC..Hα-helixtrans-69.1-43.4173.6-72.6-59.1000111.2H390 F394 V416 E417 A418 S422 L423 R446H390-F420 HydrophobicContact CB-CE1 3.71Å; H390-F420 HydrophobicContact CB-CZ 3.93Å; F394-F420 HydrophobicContact CB-CE2 3.83Å; F394-F420 HydrophobicContact CB-CZ 4.35Å; F394-F420 HydrophobicContact CD1-CD2 4.17Å; F394-F420 HydrophobicContact CD1-CE2 4.1Å; F394-F420 AromaticContact CD2-CE2 3.96Å; F394-F420 HydrophobicContact CD2-CE2 3.96Å; F394-F420 HydrophobicContact CE1-CD2 4.49Å; F394-F420 HydrophobicContact CG-CD2 4.21Å; F394-F420 AromaticContact CG-CE2 3.68Å; F394-F420 HydrophobicContact CG-CE2 3.68Å; V416-F420 HydrophobicContact CG1-CD2 3.95Å; V416-F420 HydrophobicContact CG1-CE2 3.49Å; V416-F420 VanDerWaalsContact CG1-CE2 3.49Å; V416-F420 HydrophobicContact CG1-CZ 4.39Å; V416-F420 VanDerWaalsContact O-CD2 3.23Å; V416-F420 WeakPolarHBondContact O-CD2 3.18Å; V416-F420 PolarHBondContact O-N 3.44Å; V416-F420 VanDerWaalsContact O-N 3.08Å; E417-F420 PolarHBondContact O-N 3.39Å; A418-F420 VanDerWaalsContact C-N 3.34Å; A418-F420 PolarHBondContact O-N 3.4Å; F420-S422 VanDerWaalsContact C-N 3.33Å; F420-S422 PolarHBondContact O-N 3.41Å; F420-L423 PolarHBondContact O-N 2.84Å; F420-R446 HydrophobicContact CE1-CB 4.13Å
421K94.3Very high96.9Very high177 Ų17732.1 Ų32.177%0.7718%0.175SC*.Hα-helixtrans-65.6-35.5-175.6-176.257.6-173.5173.60113.3E417 A418E417-K421 PolarHBondContact O-N 2.92Å; A418-K421 PolarHBondContact O-N 3.2Å
422S93.3Very high96.8Very high44 Ų4432.5 Ų32.531%0.30819%0.188SC..THydrogen-bonded Turntrans-98.83.6179.870.70000113.9A418 F420 A424A418-S422 PolarHBondContact O-N 3.36Å; A418-S422 PolarHBondContact O-OG 3.43Å; A418-S422 VanDerWaalsContact O-OG 3.08Å; F420-S422 VanDerWaalsContact C-N 3.33Å; F420-S422 PolarHBondContact O-N 3.41Å; S422-A424 PolarHBondContact O-N 3.41Å
423L93.3Very high96.8Very high117 Ų11735.2 Ų35.261%0.61321%0.207SC*.THydrogen-bonded Turntrans46.747.5-169.7-61.4174.6000111.4L17 S419 F420 S425L17-L423 HydrophobicContact CD2-CD2 4.21Å; S419-L423 WeakPolarHBondContact O-CA 3.44Å; S419-L423 PolarHBondContact O-N 3.17Å; S419-L423 VanDerWaalsContact O-N 3.15Å; F420-L423 PolarHBondContact O-N 2.84Å; L423-S425 PolarHBondContact O-N 3.47Å
424A95.4Very high96.8Very high10 Ų1033.4 Ų33.48%0.08320%0.198CC..  trans-60.2138.7-174.900000111S419 S422 A426 A447 V507 I509S419-A424 PolarHBondContact O-N 2.93Å; S422-A424 PolarHBondContact O-N 3.41Å; A424-A426 VanDerWaalsContact C-N 3.34Å; A424-A447 VanDerWaalsContact O-CB 3.26Å; A424-A447 WeakPolarHBondContact O-CB 3.29Å; A424-V507 CarbonylContact C-O 3.58Å; A424-V507 VanDerWaalsContact CA-O 3.3Å; A424-V507 WeakPolarHBondContact CA-O 3.19Å; A424-I509 HydrophobicContact CB-CD1 4.16Å; A424-I509 HydrophobicContact CB-CG1 3.87Å
425S96.6Very high96.8Very high32 Ų3237.1 Ų37.122%0.22420%0.203CC..SBendtrans-79.4-18.2-178.7-54.30000112.9L423 P448 F502 D506 V507L423-S425 PolarHBondContact O-N 3.47Å; S425-P448 VanDerWaalsContact O-CD 3.29Å; S425-P448 WeakPolarHBondContact O-CD 3.33Å; S425-P448 WeakPolarHBondContact O-CG 3.37Å; S425-F502 VanDerWaalsContact CB-CB 3.47Å; S425-D506 WeakPolarHBondContact OG-CB 3.48Å; S425-D506 PolarHBondContact OG-OD2 2.94Å; S425-V507 PolarHBondContact N-O 2.79Å
426A98.1Very high96.7Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-161.6161.6173.100000112.8A424 P448 F502 V508 I509A424-A426 VanDerWaalsContact C-N 3.34Å; A426-P448 WeakPolarHBondContact CA-O 3.5Å; A426-P448 HydrophobicContact CB-CG 4.22Å; A426-F502 HydrophobicContact CB-CD1 3.59Å; A426-F502 HydrophobicContact CB-CE1 3.45Å; A426-F502 VanDerWaalsContact CB-CE1 3.45Å; A426-V508 HydrophobicContact CB-CG1 4.06Å; A426-V508 WeakPolarHBondContact O-CA 3.19Å; A426-I509 PolarHBondContact O-N 3.43Å
427I98.8Very high96.7Very high0 Ų037.7 Ų37.70%021%0.207CC..EExtended strand (participates in β ladder)trans-114.9114.7165.9-54.6176.8000108.2V416 L440 P445 A447 P448 I449 L450 I509 L511V416-I427 HydrophobicContact CG2-CD1 4.2Å; I427-L440 HydrophobicContact CG2-CD1 3.75Å; I427-L440 HydrophobicContact CG2-CD2 4.22Å; I427-P445 HydrophobicContact CD1-CB 3.87Å; I427-P445 HydrophobicContact CD1-CG 4.04Å; I427-A447 HydrophobicContact CG1-CB 4.4Å; I427-P448 PolarHBondContact N-O 3.21Å; I427-I449 HydrophobicContact CB-CG1 4.44Å; I427-I449 CarbonylContact O-C 3.59Å; I427-I449 VanDerWaalsContact O-CA 3.24Å; I427-I449 WeakPolarHBondContact O-CA 3.38Å; I427-L450 PolarHBondContact O-N 3.35Å; I427-I509 CarbonylContact C-O 3.42Å; I427-I509 WeakPolarHBondContact CA-O 3.36Å; I427-I509 HydrophobicContact CG1-CB 4.27Å; I427-I509 HydrophobicContact CG1-CG1 4.41Å; I427-I509 HydrophobicContact CG2-CB 4.32Å; I427-L511 HydrophobicContact CG2-CD1 3.5Å
428I98.7Very high96.8Very high0 Ų034.8 Ų34.80%019%0.193CC..EExtended strand (participates in β ladder)trans-93.8127.3175.7-63.7164.4000108.7L450 V452 A492 M493 V508 I509 I510 L511I428-L450 HydrophobicContact CG1-CB 4.1Å; I428-L450 HydrophobicContact CG1-CD1 4.12Å; I428-L450 HydrophobicContact CG1-CG 4.49Å; I428-V452 HydrophobicContact CG2-CG2 4.36Å; I428-A492 HydrophobicContact CD1-CB 4.18Å; I428-A492 HydrophobicContact CG1-CB 4.16Å; I428-A492 HydrophobicContact CG2-CB 3.77Å; I428-M493 HydrophobicContact CD1-CE 3.72Å; I428-M493 HydrophobicContact CD1-CG 4.07Å; I428-M493 HydrophobicContact CD1-SD 3.57Å; I428-M493 VanDerWaalsContact CD1-SD 3.57Å; I428-V508 HydrophobicContact CD1-CG2 4.31Å; I428-I509 PolarHBondContact N-O 3.37Å; I428-I510 HydrophobicContact CB-CG1 4.33Å; I428-I510 HydrophobicContact CD1-CG1 4.48Å; I428-I510 CarbonylContact O-C 3.59Å; I428-I510 WeakPolarHBondContact O-CA 3.37Å; I428-L511 PolarHBondContact O-N 3.27Å
429V98.6Very high96.8Very high0 Ų034.7 Ų34.70%019%0.19CC..EExtended strand (participates in β ladder)trans-132.4128.9179.260.80000111A437 L440 I449 L450 A451 V452 L511V429-A437 HydrophobicContact CG1-CB 3.7Å; V429-L440 HydrophobicContact CB-CD1 3.83Å; V429-L440 HydrophobicContact CG1-CD1 3.97Å; V429-L440 HydrophobicContact CG2-CD1 4.09Å; V429-I449 HydrophobicContact CG1-CG2 3.62Å; V429-L450 PolarHBondContact N-O 3.08Å; V429-A451 HydrophobicContact CG1-CB 4.03Å; V429-V452 PolarHBondContact O-N 3.17Å; V429-L511 HydrophobicContact CB-CB 4.27Å; V429-L511 HydrophobicContact CG2-CB 4.03Å
430L98Very high96.8Very high13 Ų1334.5 Ų34.57%0.06819%0.188CC..EExtended strand (participates in β ladder)trans-87.7123.1171.2-52.9-169.5000109.3V452 V485 R488 V489 L511 T512L430-V452 HydrophobicContact CD2-CB 3.63Å; L430-V452 HydrophobicContact CD2-CG1 4.21Å; L430-V452 HydrophobicContact CD2-CG2 3.87Å; L430-V485 HydrophobicContact CD1-CB 4.23Å; L430-V485 HydrophobicContact CD1-CG1 3.89Å; L430-V485 HydrophobicContact CD1-CG2 4.13Å; L430-R488 HydrophobicContact CD1-CB 4.26Å; L430-R488 HydrophobicContact CD2-CB 3.79Å; L430-V489 HydrophobicContact CD1-CG2 4.34Å; L430-V489 HydrophobicContact CD2-CG2 4.32Å; L430-L511 PolarHBondContact N-O 2.76Å; L430-T512 HydrophobicContact CD1-CG2 3.83Å; L430-T512 HydrophobicContact CG-CG2 4.09Å
431T97.2Very high97Very high11 Ų1132.1 Ų32.17%0.06718%0.178CC..  trans-140.5135-173.6-171.10000112.8G434 A437 A451 V452 T453T431-G434 WeakPolarHBondContact OG1-CA 3.42Å; T431-G434 PolarHBondContact OG1-N 2.88Å; T431-A437 HydrophobicContact CG2-CB 4.4Å; T431-A451 HydrophobicContact CG2-CB 4.18Å; T431-V452 PolarHBondContact N-O 3.35Å; T431-T453 WeakPolarHBondContact O-CB 3.25Å; T431-T453 PolarHBondContact O-OG1 2.66Å
432G94.8Very high97.2Very high45 Ų4525.6 Ų25.646%0.46415%0.149SC..SBendtrans-86.3-55.1174.500000112.1T458G432-T458 PolarHBondContact O-OG1 3.14Å
433S95.5Very high97.4Very high60 Ų6023.5 Ų23.542%0.4213%0.134SC..SBendtrans-99.5-2.7-175.7630000114.9R435S433-R435 VanDerWaalsContact C-N 3.3Å; S433-R435 PolarHBondContact O-N 3.12Å
434G97.3Very high97.6Very high1 Ų118.3 Ų18.31%0.0111%0.106CC..SBendtrans92-26-175.200000113.8T431 S436 A437 H438 T458T431-G434 WeakPolarHBondContact OG1-CA 3.42Å; T431-G434 PolarHBondContact OG1-N 2.88Å; G434-S436 PolarHBondContact O-N 3.36Å; G434-S436 VanDerWaalsContact O-N 3.09Å; G434-A437 WeakPolarHBondContact O-CA 3.33Å; G434-A437 WeakPolarHBondContact O-CB 3.27Å; G434-A437 PolarHBondContact O-N 2.91Å; G434-H438 PolarHBondContact O-CD2 2.88Å; G434-H438 VanDerWaalsContact O-CD2 3.25Å; G434-H438 PolarHBondContact O-N 2.83Å; G434-T458 VanDerWaalsContact N-CG2 3.34Å
435R97.3Very high97.7Very high107 Ų10717.8 Ų17.840%0.40410%0.102SC..Hα-helixtrans-45.5-49.7-172.6-173.7-177.1-173.9-99.1-4.1114.8D406 S433 A437 H438 L439D406-R435 IonicContact OD1-NH1 3.37Å; D406-R435 IonicContact OD2-CZ 2.99Å; D406-R435 IonicContact OD2-NH1 3.11Å; D406-R435 PolarHBondContact OD2-NH1 2.97Å; D406-R435 IonicContact OD2-NH2 2.94Å; D406-R435 PolarHBondContact OD2-NH2 3.39Å; S433-R435 VanDerWaalsContact C-N 3.3Å; S433-R435 PolarHBondContact O-N 3.12Å; R435-A437 VanDerWaalsContact C-N 3.28Å; R435-A437 PolarHBondContact O-N 3.25Å; R435-H438 WeakPolarHBondContact O-CB 3.36Å; R435-H438 PolarHBondContact O-N 2.77Å; R435-H438 VanDerWaalsContact O-N 3.13Å; R435-L439 HydrophobicContact CG-CD1 4.4Å; R435-L439 WeakPolarHBondContact O-CG 3.24Å; R435-L439 PolarHBondContact O-N 3.19Å
436S97.9Very high97.7Very high12 Ų1218 Ų188%0.08410%0.098CC..Hα-helixtrans-64.2-33.5-177.7-47.70000112.8G434 L440 T521G434-S436 PolarHBondContact O-N 3.36Å; G434-S436 VanDerWaalsContact O-N 3.09Å; S436-L440 WeakPolarHBondContact O-CG 3.24Å; S436-L440 PolarHBondContact O-N 3.37Å; S436-T521 WeakPolarHBondContact CB-OG1 3.44Å; S436-T521 WeakPolarHBondContact OG-CB 3.35Å; S436-T521 PolarHBondContact OG-OG1 3.29Å
437A98.5Very high97.7Very high0 Ų018.4 Ų18.40%010%0.101CC..Hα-helixtrans-73.7-36.3174.400000111.4V429 T431 G434 R435 L439 L440 S441 I449 A451 I468V429-A437 HydrophobicContact CG1-CB 3.7Å; T431-A437 HydrophobicContact CG2-CB 4.4Å; G434-A437 WeakPolarHBondContact O-CA 3.33Å; G434-A437 WeakPolarHBondContact O-CB 3.27Å; G434-A437 PolarHBondContact O-N 2.91Å; R435-A437 VanDerWaalsContact C-N 3.28Å; R435-A437 PolarHBondContact O-N 3.25Å; A437-L439 VanDerWaalsContact C-N 3.34Å; A437-L440 PolarHBondContact O-N 2.84Å; A437-S441 WeakPolarHBondContact O-CB 3.38Å; A437-S441 PolarHBondContact O-N 2.74Å; A437-I449 HydrophobicContact CB-CG2 4.37Å; A437-A451 HydrophobicContact CB-CB 3.8Å; A437-I468 HydrophobicContact CB-CD1 3.77Å; A437-I468 HydrophobicContact CB-CG1 4.46Å; A437-I468 HydrophobicContact CB-CG2 4.4Å; A437-I468 WeakPolarHBondContact O-CD1 3.3Å
438H98.4Very high97.7Very high27 Ų2718.8 Ų18.813%0.12510%0.104CC..Hα-helixtrans-63.1-41174.2-52.3166.7000111.5G434 R435 L440 S441 R442 Y465G434-H438 PolarHBondContact O-CD2 2.88Å; G434-H438 VanDerWaalsContact O-CD2 3.25Å; G434-H438 PolarHBondContact O-N 2.83Å; R435-H438 WeakPolarHBondContact O-CB 3.36Å; R435-H438 PolarHBondContact O-N 2.77Å; R435-H438 VanDerWaalsContact O-N 3.13Å; H438-L440 VanDerWaalsContact C-N 3.35Å; H438-L440 PolarHBondContact O-N 3.13Å; H438-S441 WeakPolarHBondContact O-CB 3.41Å; H438-S441 PolarHBondContact O-N 3.03Å; H438-R442 PolarHBondContact O-N 2.84Å; H438-Y465 HydrophobicContact CB-CD1 3.92Å; H438-Y465 HydrophobicContact CB-CE1 3.63Å; H438-Y465 HydrophobicContact CB-CG 4.5Å; H438-Y465 AromaticContact CD2-CD2 3.55Å; H438-Y465 AromaticContact CD2-CE2 3.6Å; H438-Y465 AromaticContact CD2-CG 3.83Å; H438-Y465 AromaticContact CD2-CZ 3.88Å; H438-Y465 AromaticContact CE1-CE2 3.64Å; H438-Y465 AromaticContact CE1-CZ 3.88Å; H438-Y465 AromaticContact CG-CE1 3.69Å; H438-Y465 AromaticContact CG-CE2 3.79Å; H438-Y465 AromaticContact CG-CZ 3.56Å; H438-Y465 AromaticContact ND1-CE2 3.79Å; H438-Y465 AromaticContact ND1-CZ 3.55Å; H438-Y465 AromaticContact NE2-CD2 3.75Å; H438-Y465 AromaticContact NE2-CE2 3.55Å
439L97.8Very high97.7Very high18 Ų1818.8 Ų18.89%0.09410%0.104CC..Hα-helixtrans-62.2-40.1175.3-70.9172.9000112A408 E409 A412 R435 A437 R442 Y443A408-L439 HydrophobicContact CB-CD1 3.92Å; E409-L439 HydrophobicContact CB-CD1 4.47Å; E409-L439 HydrophobicContact CB-CD2 4.41Å; A412-L439 HydrophobicContact CB-CB 3.78Å; R435-L439 HydrophobicContact CG-CD1 4.4Å; R435-L439 WeakPolarHBondContact O-CG 3.24Å; R435-L439 PolarHBondContact O-N 3.19Å; A437-L439 VanDerWaalsContact C-N 3.34Å; L439-R442 WeakPolarHBondContact O-CB 3.23Å; L439-Y443 WeakPolarHBondContact O-CD2 3.44Å
440L98.5Very high97.7Very high0 Ų018.8 Ų18.80%010%0.104CC..Hα-helixtrans-63.9-45.8173-71.2166.3000111.6A412 A415 V416 I427 V429 S436 A437 H438 R442 Y443 P445 I449 L511A412-L440 HydrophobicContact CB-CD2 4.07Å; A412-L440 HydrophobicContact CB-CG 4.33Å; A415-L440 HydrophobicContact CB-CD2 3.86Å; V416-L440 HydrophobicContact CG2-CD2 4.03Å; I427-L440 HydrophobicContact CG2-CD1 3.75Å; I427-L440 HydrophobicContact CG2-CD2 4.22Å; V429-L440 HydrophobicContact CB-CD1 3.83Å; V429-L440 HydrophobicContact CG1-CD1 3.97Å; V429-L440 HydrophobicContact CG2-CD1 4.09Å; S436-L440 WeakPolarHBondContact O-CG 3.24Å; S436-L440 PolarHBondContact O-N 3.37Å; A437-L440 PolarHBondContact O-N 2.84Å; H438-L440 VanDerWaalsContact C-N 3.35Å; H438-L440 PolarHBondContact O-N 3.13Å; L440-R442 VanDerWaalsContact C-N 3.29Å; L440-R442 PolarHBondContact O-N 3.39Å; L440-Y443 PolarHBondContact O-N 3.21Å; L440-P445 WeakPolarHBondContact O-CD 3.5Å; L440-I449 HydrophobicContact CB-CD1 3.72Å; L440-I449 HydrophobicContact CB-CG1 4.33Å; L440-I449 HydrophobicContact CD1-CG2 4.01Å; L440-L511 HydrophobicContact CD1-CD1 4.21Å; L440-L511 HydrophobicContact CD1-CD2 4.14Å; L440-L511 HydrophobicContact CD2-CD1 4.31Å; L440-L511 HydrophobicContact CD2-CD2 3.97Å; L440-L511 HydrophobicContact CG-CD2 4.33Å
441S98.6Very high97.7Very high1 Ų118.2 Ų18.21%0.00710%0.101CC..Hα-helixtrans-58.9-38.7178.9175.50000112.6A437 H438 Y443 R444 R466A437-S441 WeakPolarHBondContact O-CB 3.38Å; A437-S441 PolarHBondContact O-N 2.74Å; H438-S441 WeakPolarHBondContact O-CB 3.41Å; H438-S441 PolarHBondContact O-N 3.03Å; S441-Y443 PolarHBondContact O-N 2.99Å; S441-R444 WeakPolarHBondContact O-CA 3.48Å; S441-R444 PolarHBondContact O-N 2.88Å; S441-R466 VanDerWaalsContact CB-O 3.27Å; S441-R466 WeakPolarHBondContact CB-O 3.32Å; S441-R466 PolarHBondContact OG-N 3.12Å; S441-R466 PolarHBondContact OG-O 2.99Å
442R97.8Very high97.8Very high40 Ų4017.7 Ų17.715%0.15110%0.098CC..Hα-helixtrans-53.3-37.7175.9178-177.6-174.8-177.24.9112.9K318 L397 E409 H438 L439 L440 R444K318-R442 PolarHBondContact O-NH2 2.94Å; L397-R442 WeakPolarHBondContact CD1-O 3.38Å; E409-R442 IonicContact OE1-CZ 2.8Å; E409-R442 IonicContact OE1-NH1 3.41Å; E409-R442 PolarHBondContact OE1-NH1 3.41Å; H438-R442 PolarHBondContact O-N 2.84Å; L439-R442 WeakPolarHBondContact O-CB 3.23Å; L440-R442 VanDerWaalsContact C-N 3.29Å; L440-R442 PolarHBondContact O-N 3.39Å; R442-R444 VanDerWaalsContact C-N 3.25Å; R442-R444 PolarHBondContact O-N 3.5Å
443Y98.3Very high97.9Very high0 Ų015.8 Ų15.80%08%0.077CC..THydrogen-bonded Turntrans-89.38.8179.8-63.3-69.8000113.4F394 L397 T401 E409 A412 I413 L439 L440 S441F394-Y443 WeakPolarHBondContact CD2-O 3.47Å; F394-Y443 HydrophobicContact CE2-CD1 4.47Å; L397-Y443 HydrophobicContact CB-CD1 4.36Å; T401-Y443 VanDerWaalsContact CG2-OH 3.23Å; T401-Y443 WeakPolarHBondContact CG2-OH 3Å; T401-Y443 PolarHBondContact OG1-OH 3.47Å; E409-Y443 HydrophobicContact CG-CE2 4.49Å; E409-Y443 PolarHBondContact OE1-OH 3.32Å; A412-Y443 HydrophobicContact CB-CD2 4.34Å; A412-Y443 HydrophobicContact CB-CE2 4.38Å; I413-Y443 HydrophobicContact CD1-CE1 4.04Å; I413-Y443 HydrophobicContact CD1-CE2 4.25Å; I413-Y443 WeakPolarHBondContact CD1-OH 3.48Å; I413-Y443 HydrophobicContact CG1-CD1 4.07Å; I413-Y443 HydrophobicContact CG1-CD2 3.87Å; I413-Y443 HydrophobicContact CG1-CE1 3.59Å; I413-Y443 HydrophobicContact CG1-CE2 3.38Å; I413-Y443 HydrophobicContact CG1-CG 4.21Å; L439-Y443 WeakPolarHBondContact O-CD2 3.44Å; L440-Y443 PolarHBondContact O-N 3.21Å; S441-Y443 PolarHBondContact O-N 2.99Å
444R98.3Very high98Very high7 Ų716.6 Ų16.63%0.0267%0.071CC..  trans58.845.9160.2-66.9-64.8175.9119.8-20.6113.9N317 G354 D356 V393 L397 S441 R442 R466N317-R444 VanDerWaalsContact OD1-CZ 3.29Å; N317-R444 PolarHBondContact OD1-NH2 3.44Å; G354-R444 VanDerWaalsContact C-NH1 3.32Å; G354-R444 VanDerWaalsContact O-CZ 3.23Å; G354-R444 PolarHBondContact O-NH1 3.44Å; G354-R444 PolarHBondContact O-NH2 2.75Å; D356-R444 IonicContact OD1-CZ 3.86Å; D356-R444 IonicContact OD1-NH2 2.83Å; D356-R444 PolarHBondContact OD1-NH2 3.14Å; D356-R444 IonicContact OD2-NH2 3.46Å; D356-R444 PolarHBondContact OD2-NH2 3.26Å; D356-R444 VanDerWaalsContact OD2-NH2 3.08Å; V393-R444 HydrophobicContact CG1-CB 4.09Å; V393-R444 HydrophobicContact CG1-CG 4.34Å; L397-R444 HydrophobicContact CD1-CB 3.77Å; L397-R444 HydrophobicContact CD1-CG 3.43Å; L397-R444 VanDerWaalsContact CD1-CG 3.43Å; S441-R444 WeakPolarHBondContact O-CA 3.48Å; S441-R444 PolarHBondContact O-N 2.88Å; R442-R444 VanDerWaalsContact C-N 3.25Å; R442-R444 PolarHBondContact O-N 3.5Å; R444-R466 VanDerWaalsContact C-NH2 3.34Å; R444-R466 PolarHBondContact O-NH2 3.41Å; R444-R466 VanDerWaalsContact O-NH2 3.08Å
445P98Very high98Very high0 Ų019.8 Ų19.80%09%0.088CC..  trans-58.4151.8175.427.6-34.7000110.9V416 I427 L440 I449 R466V416-P445 HydrophobicContact CG1-CB 4.05Å; V416-P445 HydrophobicContact CG2-CB 4.12Å; V416-P445 HydrophobicContact CG2-CG 4.12Å; I427-P445 HydrophobicContact CD1-CB 3.87Å; I427-P445 HydrophobicContact CD1-CG 4.04Å; L440-P445 WeakPolarHBondContact O-CD 3.5Å; P445-I449 HydrophobicContact CG-CD1 3.83Å; P445-I449 HydrophobicContact CG-CG1 4Å; P445-R466 PolarHBondContact O-NH1 3.44Å; P445-R466 VanDerWaalsContact O-NH1 3.12Å
446R96.3Very high98Very high36 Ų3616.4 Ų16.414%0.1368%0.083CC..SBendtrans-70.5-43.2167.9178.8178.9-68.1-175.7-9.1110.8N43 F420N43-R446 PolarHBondContact ND2-O 3.21Å; F420-R446 HydrophobicContact CE1-CB 4.13Å
447A97.3Very high98.1Very high8 Ų817.9 Ų17.97%0.0669%0.088CC..SBendtrans-64.8140-178.700000111.3A424 I427A424-A447 VanDerWaalsContact O-CB 3.26Å; A424-A447 WeakPolarHBondContact O-CB 3.29Å; I427-A447 HydrophobicContact CG1-CB 4.4Å
448P98.3Very high98.1Very high8 Ų818.3 Ų18.35%0.0529%0.091CC..  trans-62.9143173.827.9-36.4000111.4A41 S425 A426 I427 F469 F501A41-P448 HydrophobicContact CB-CB 4Å; A41-P448 HydrophobicContact CB-CG 3.99Å; S425-P448 VanDerWaalsContact O-CD 3.29Å; S425-P448 WeakPolarHBondContact O-CD 3.33Å; S425-P448 WeakPolarHBondContact O-CG 3.37Å; A426-P448 WeakPolarHBondContact CA-O 3.5Å; A426-P448 HydrophobicContact CB-CG 4.22Å; I427-P448 PolarHBondContact N-O 3.21Å; P448-F469 HydrophobicContact CB-CD2 3.48Å; P448-F469 VanDerWaalsContact CB-CD2 3.48Å; P448-F469 HydrophobicContact CB-CE2 3.34Å; P448-F469 HydrophobicContact CB-CZ 4.27Å; P448-F501 HydrophobicContact CG-CD2 4.47Å
449I98.8Very high98.1Very high0 Ų017.1 Ų17.10%09%0.086CC..EExtended strand (participates in β ladder)trans-99.2103177.1-56.5161.2000108.7I427 V429 A437 L440 P445 A451 G467 I468 F469I427-I449 HydrophobicContact CB-CG1 4.44Å; I427-I449 CarbonylContact O-C 3.59Å; I427-I449 VanDerWaalsContact O-CA 3.24Å; I427-I449 WeakPolarHBondContact O-CA 3.38Å; V429-I449 HydrophobicContact CG1-CG2 3.62Å; A437-I449 HydrophobicContact CB-CG2 4.37Å; L440-I449 HydrophobicContact CB-CD1 3.72Å; L440-I449 HydrophobicContact CB-CG1 4.33Å; L440-I449 HydrophobicContact CD1-CG2 4.01Å; P445-I449 HydrophobicContact CG-CD1 3.83Å; P445-I449 HydrophobicContact CG-CG1 4Å; I449-A451 PolarHBondContact O-N 3.39Å; I449-G467 WeakPolarHBondContact CA-O 3.38Å; I449-G467 WeakPolarHBondContact CB-O 3.44Å; I449-G467 PolarHBondContact N-O 2.98Å; I449-I468 HydrophobicContact CB-CG1 4.48Å; I449-I468 HydrophobicContact CD1-CG1 4.29Å; I449-F469 PolarHBondContact O-N 2.96Å
450L98.6Very high98.1Very high0 Ų018.9 Ų18.90%09%0.091CC..EExtended strand (participates in β ladder)trans-78.998.3173.8-61.1-171.3000109.8I427 I428 V429 V452 F469 V471 A492 M495 F501 F502I427-L450 PolarHBondContact O-N 3.35Å; I428-L450 HydrophobicContact CG1-CB 4.1Å; I428-L450 HydrophobicContact CG1-CD1 4.12Å; I428-L450 HydrophobicContact CG1-CG 4.49Å; V429-L450 PolarHBondContact N-O 3.08Å; L450-V452 PolarHBondContact O-N 3.17Å; L450-F469 HydrophobicContact CD2-CB 3.73Å; L450-F469 HydrophobicContact CD2-CG 4.4Å; L450-V471 HydrophobicContact CB-CG2 4.42Å; L450-A492 HydrophobicContact CD1-CB 4.35Å; L450-A492 WeakPolarHBondContact CD1-O 3.42Å; L450-M495 HydrophobicContact CD2-SD 4.19Å; L450-F501 HydrophobicContact CD2-CD2 3.87Å; L450-F501 HydrophobicContact CD2-CE2 3.84Å; L450-F502 HydrophobicContact CD1-CE1 3.76Å; L450-F502 HydrophobicContact CD1-CZ 4Å
451A98.6Very high98.1Very high2 Ų219.5 Ų19.52%0.0179%0.094CC..EExtended strand (participates in β ladder)trans-92.899.6-177.100000111.4V429 T431 A437 I449 I468 F469 V471V429-A451 HydrophobicContact CG1-CB 4.03Å; T431-A451 HydrophobicContact CG2-CB 4.18Å; A437-A451 HydrophobicContact CB-CB 3.8Å; I449-A451 PolarHBondContact O-N 3.39Å; A451-I468 HydrophobicContact CB-CG2 3.46Å; A451-I468 VanDerWaalsContact CB-CG2 3.46Å; A451-F469 PolarHBondContact N-O 3.33Å; A451-V471 PolarHBondContact O-N 3.01Å
452V98.4Very high98.1Very high0 Ų019.7 Ų19.70%010%0.095CC..EExtended strand (participates in β ladder)trans-85123.7-178.7-167.40000110.4I428 V429 L430 T431 L450 V471 R488 A492I428-V452 HydrophobicContact CG2-CG2 4.36Å; V429-V452 PolarHBondContact O-N 3.17Å; L430-V452 HydrophobicContact CD2-CB 3.63Å; L430-V452 HydrophobicContact CD2-CG1 4.21Å; L430-V452 HydrophobicContact CD2-CG2 3.87Å; T431-V452 PolarHBondContact N-O 3.35Å; L450-V452 PolarHBondContact O-N 3.17Å; V452-V471 WeakPolarHBondContact CA-O 3.29Å; V452-V471 HydrophobicContact CG1-CG1 4.38Å; V452-V471 HydrophobicContact CG2-CB 4.21Å; V452-V471 HydrophobicContact CG2-CG1 4.36Å; V452-R488 HydrophobicContact CG1-CB 4.06Å; V452-R488 HydrophobicContact CG1-CG 4.31Å; V452-A492 HydrophobicContact CG2-CB 3.6Å
453T97.9Very high98.2Very high5 Ų518.5 Ų18.53%0.0319%0.091CC..EExtended strand (participates in β ladder)trans-144.5150.4179.3-174.60000111.6T431 N455 T458 A459 V471 L472 Y473T431-T453 WeakPolarHBondContact O-CB 3.25Å; T431-T453 PolarHBondContact O-OG1 2.66Å; T453-N455 WeakPolarHBondContact CG2-O 3.28Å; T453-N455 PolarHBondContact OG1-N 3.39Å; T453-T458 HydrophobicContact CG2-CG2 4.38Å; T453-A459 HydrophobicContact CG2-CB 3.74Å; T453-V471 PolarHBondContact N-O 2.83Å; T453-L472 WeakPolarHBondContact O-CA 3.26Å; T453-Y473 PolarHBondContact O-N 3.14Å
454R97.3Very high98.2Very high77 Ų7718.6 Ų18.629%0.2919%0.092SC..SBendtrans-89.6-11.7167.1-64.3-172.3165101.1-4.2112.3A456 Y473 K475 P476 D484R454-A456 PolarHBondContact O-N 2.95Å; R454-Y473 WeakPolarHBondContact CA-O 3.45Å; R454-Y473 HydrophobicContact CG-CD1 4.17Å; R454-Y473 WeakPolarHBondContact CG-O 3.08Å; R454-Y473 VanDerWaalsContact NH2-CE1 3.26Å; R454-K475 PolarHBondContact NE-O 3.47Å; R454-K475 PolarHBondContact NH2-O 3.18Å; R454-P476 PolarHBondContact NH2-O 2.97Å; R454-D484 IonicContact CZ-OD1 2.78Å; R454-D484 IonicContact CZ-OD2 3.21Å; R454-D484 IonicContact NH1-OD1 2.6Å; R454-D484 PolarHBondContact NH1-OD1 3.04Å; R454-D484 IonicContact NH1-OD2 3.18Å; R454-D484 PolarHBondContact NH1-OD2 2.93Å; R454-D484 IonicContact NH2-OD1 2.75Å; R454-D484 PolarHBondContact NH2-OD1 2.94Å; R454-D484 IonicContact NH2-OD2 2.71Å
455N97.6Very high98.2Very high68 Ų6819.4 Ų19.436%0.36410%0.095SC..  trans-88.5110-179.5-176.2-30.6000110.1T453 Q457 T458 A459T453-N455 WeakPolarHBondContact CG2-O 3.28Å; T453-N455 PolarHBondContact OG1-N 3.39Å; N455-Q457 VanDerWaalsContact C-N 3.33Å; N455-Q457 PolarHBondContact O-N 3.06Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.37Å; N455-Q457 PolarHBondContact OD1-N 3.37Å; N455-T458 PolarHBondContact ND2-OG1 3Å; N455-T458 PolarHBondContact O-N 2.89Å; N455-T458 PolarHBondContact OD1-N 2.89Å; N455-T458 VanDerWaalsContact OD1-N 3.1Å; N455-A459 PolarHBondContact O-N 3.27Å
456A98Very high98.3Very high36 Ų3619.5 Ų19.530%0.29810%0.096SC..Hα-helixtrans-62.7-35.2-178.800000113.4R454 A459 R460 L472R454-A456 PolarHBondContact O-N 2.95Å; A456-A459 PolarHBondContact O-N 3.49Å; A456-R460 WeakPolarHBondContact O-CG 3.36Å; A456-R460 PolarHBondContact O-N 2.97Å; A456-R460 PolarHBondContact O-NH1 3.35Å; A456-L472 HydrophobicContact CB-CD1 4.21Å; A456-L472 HydrophobicContact CB-CD2 4.39Å
457Q98.4Very high98.4Very high43 Ų4317.8 Ų17.820%0.2019%0.089CC..Hα-helixtrans-68-42.6175.9-176.9175.256.600111.1N455 A459 R460 Q461N455-Q457 VanDerWaalsContact C-N 3.33Å; N455-Q457 PolarHBondContact O-N 3.06Å; N455-Q457 WeakPolarHBondContact OD1-CB 3.37Å; N455-Q457 PolarHBondContact OD1-N 3.37Å; Q457-A459 VanDerWaalsContact C-N 3.31Å; Q457-A459 PolarHBondContact O-N 3.28Å; Q457-R460 PolarHBondContact O-N 3.49Å; Q457-Q461 HydrophobicContact CG-CG 4.23Å; Q457-Q461 WeakPolarHBondContact O-CB 3.35Å; Q457-Q461 VanDerWaalsContact O-CG 3.29Å; Q457-Q461 WeakPolarHBondContact O-CG 3.46Å; Q457-Q461 PolarHBondContact O-N 2.93Å
458T98.5Very high98.4Very high9 Ų917.8 Ų17.86%0.0559%0.088CC..Hα-helixtrans-59.7-43173.4-61.30000111.5G432 G434 T453 N455 R460 Q461 A462G432-T458 PolarHBondContact O-OG1 3.14Å; G434-T458 VanDerWaalsContact N-CG2 3.34Å; T453-T458 HydrophobicContact CG2-CG2 4.38Å; N455-T458 PolarHBondContact ND2-OG1 3Å; N455-T458 PolarHBondContact O-N 2.89Å; N455-T458 PolarHBondContact OD1-N 2.89Å; N455-T458 VanDerWaalsContact OD1-N 3.1Å; T458-R460 VanDerWaalsContact C-N 3.33Å; T458-R460 PolarHBondContact O-N 2.93Å; T458-Q461 PolarHBondContact O-N 3.43Å; T458-A462 WeakPolarHBondContact O-CB 3.43Å; T458-A462 PolarHBondContact O-N 2.71Å
459A98.6Very high98.5Very high1 Ų118.8 Ų18.81%0.0089%0.092CC..Hα-helixtrans-58.2-45.5176.600000111.5P106 T453 N455 A456 Q457 P470P106-A459 HydrophobicContact CB-CB 4.06Å; P106-A459 HydrophobicContact CG-CB 3.86Å; T453-A459 HydrophobicContact CG2-CB 3.74Å; N455-A459 PolarHBondContact O-N 3.27Å; A456-A459 PolarHBondContact O-N 3.49Å; Q457-A459 VanDerWaalsContact C-N 3.31Å; Q457-A459 PolarHBondContact O-N 3.28Å; A459-P470 HydrophobicContact CB-CB 4.02Å; A459-P470 WeakPolarHBondContact O-CB 3.39Å; A459-P470 WeakPolarHBondContact O-CG 3.34Å
460R98.8Very high98.4Very high56 Ų5619.1 Ų19.121%0.2119%0.094CC..Hα-helixtrans-67.3-42.5178-72-173-53.6-97.22.7113.3P106 I107 D237 A456 Q457 T458 A462P106-R460 HydrophobicContact CB-CG 4.05Å; I107-R460 WeakPolarHBondContact O-CD 3.42Å; I107-R460 WeakPolarHBondContact O-CG 3.45Å; D237-R460 IonicContact OD1-CZ 3.9Å; D237-R460 VanDerWaalsContact OD1-CZ 3.28Å; D237-R460 IonicContact OD1-NE 2.72Å; D237-R460 PolarHBondContact OD1-NE 3.32Å; D237-R460 IonicContact OD1-NH2 3.8Å; D237-R460 PolarHBondContact OD1-NH2 3.28Å; D237-R460 WeakPolarHBondContact OD2-CD 3.47Å; D237-R460 IonicContact OD2-NE 3.85Å; D237-R460 PolarHBondContact OD2-NE 3.43Å; A456-R460 WeakPolarHBondContact O-CG 3.36Å; A456-R460 PolarHBondContact O-N 2.97Å; A456-R460 PolarHBondContact O-NH1 3.35Å; Q457-R460 PolarHBondContact O-N 3.49Å; T458-R460 VanDerWaalsContact C-N 3.33Å; T458-R460 PolarHBondContact O-N 2.93Å; R460-A462 VanDerWaalsContact C-N 3.33Å; R460-A462 PolarHBondContact O-N 2.82Å
461Q98.9Very high98.4Very high13 Ų1319.4 Ų19.46%0.06110%0.095CC..Hα-helixtrans-70.7-26.7-179.9-71.5175.4-13.600113.4D237 N263 K265 Q457 T458 H463 L464D237-Q461 HydrophobicContact CB-CG 3.98Å; D237-Q461 PolarHBondContact O-NE2 3.42Å; N263-Q461 PolarHBondContact O-NE2 3.19Å; K265-Q461 HydrophobicContact CG-CB 4.47Å; K265-Q461 HydrophobicContact CG-CG 4.11Å; Q457-Q461 HydrophobicContact CG-CG 4.23Å; Q457-Q461 WeakPolarHBondContact O-CB 3.35Å; Q457-Q461 VanDerWaalsContact O-CG 3.29Å; Q457-Q461 WeakPolarHBondContact O-CG 3.46Å; Q457-Q461 PolarHBondContact O-N 2.93Å; T458-Q461 PolarHBondContact O-N 3.43Å; Q461-H463 PolarHBondContact O-N 3.39Å; Q461-H463 VanDerWaalsContact O-N 3.13Å; Q461-L464 WeakPolarHBondContact O-CB 3.22Å; Q461-L464 PolarHBondContact O-N 2.98Å; Q461-L464 VanDerWaalsContact O-N 3.12Å
462A98.7Very high98.4Very high4 Ų420.1 Ų20.13%0.03310%0.099CC..G310 helixtrans-61.1-23.2-178.500000113.1T458 R460 L464 Y465 I468 P470T458-A462 WeakPolarHBondContact O-CB 3.43Å; T458-A462 PolarHBondContact O-N 2.71Å; R460-A462 VanDerWaalsContact C-N 3.33Å; R460-A462 PolarHBondContact O-N 2.82Å; A462-L464 PolarHBondContact O-N 3.39Å; A462-L464 VanDerWaalsContact O-N 3.14Å; A462-Y465 PolarHBondContact O-N 3.17Å; A462-Y465 VanDerWaalsContact O-N 3.12Å; A462-I468 HydrophobicContact CB-CB 4.47Å; A462-I468 HydrophobicContact CB-CG2 3.76Å; A462-P470 HydrophobicContact CB-CB 4.18Å
463H98.8Very high98.3Very high15 Ų1520.4 Ų20.47%0.06910%0.1CC..G310 helixtrans-62.3-15175.7-77.5-50.8000115N69 I70 P106 C357 Q461 Y465 P470N69-H463 HydrophobicContact CB-CB 3.95Å; N69-H463 PolarHBondContact ND2-CE1 2.92Å; N69-H463 VanDerWaalsContact ND2-CE1 3.31Å; N69-H463 PolarHBondContact ND2-ND1 3.32Å; I70-H463 HydrophobicContact CD1-CB 4Å; I70-H463 HydrophobicContact CG1-CB 3.98Å; P106-H463 PolarHBondContact O-CD2 3.43Å; P106-H463 PolarHBondContact O-NE2 2.88Å; C357-H463 PolarHBondContact SG-O 3.26Å; Q461-H463 PolarHBondContact O-N 3.39Å; Q461-H463 VanDerWaalsContact O-N 3.13Å; H463-Y465 PolarHBondContact O-N 3.27Å; H463-P470 WeakPolarHBondContact CE1-CD 3.5Å; H463-P470 WeakPolarHBondContact CE1-CG 3.38Å; H463-P470 VanDerWaalsContact NE2-CG 3.32Å; H463-P470 WeakPolarHBondContact NE2-CG 3.42Å
464L98.8Very high98.3Very high3 Ų324.2 Ų24.22%0.01612%0.123CC..G310 helixtrans-66.8-21173.4-76.6167.4000113.1I70 M238 K265 I267 P322 D356 Q461 A462I70-L464 HydrophobicContact CD1-CD2 4.08Å; I70-L464 HydrophobicContact CD1-CG 4.25Å; M238-L464 HydrophobicContact CE-CD1 3.85Å; M238-L464 HydrophobicContact CE-CD2 4.37Å; M238-L464 HydrophobicContact CE-CG 3.9Å; M238-L464 HydrophobicContact SD-CD1 3.91Å; M238-L464 HydrophobicContact SD-CD2 3.67Å; M238-L464 HydrophobicContact SD-CG 3.87Å; K265-L464 HydrophobicContact CB-CD1 4.09Å; K265-L464 HydrophobicContact CG-CD1 4.11Å; I267-L464 HydrophobicContact CD1-CD1 3.99Å; I267-L464 HydrophobicContact CD1-CD2 4.15Å; I267-L464 HydrophobicContact CG1-CD2 4.34Å; P322-L464 HydrophobicContact CB-CB 3.95Å; P322-L464 WeakPolarHBondContact CB-O 3.38Å; P322-L464 HydrophobicContact CG-CB 4.12Å; D356-L464 WeakPolarHBondContact CB-O 3.09Å; Q461-L464 WeakPolarHBondContact O-CB 3.22Å; Q461-L464 PolarHBondContact O-N 2.98Å; Q461-L464 VanDerWaalsContact O-N 3.12Å; A462-L464 PolarHBondContact O-N 3.39Å; A462-L464 VanDerWaalsContact O-N 3.14Å
465Y98.9Very high98.2Very high24 Ų2426.7 Ų26.79%0.09414%0.136CC..SBendtrans-108.6135.4-169.9-69.6-98000111.3P322 H438 A462 H463 G467 I468P322-Y465 HydrophobicContact CB-CD1 4.36Å; P322-Y465 HydrophobicContact CB-CD2 4.48Å; P322-Y465 HydrophobicContact CB-CE1 4.36Å; P322-Y465 HydrophobicContact CB-CE2 4.45Å; P322-Y465 HydrophobicContact CB-CG 4.42Å; P322-Y465 HydrophobicContact CG-CD2 4.48Å; P322-Y465 HydrophobicContact CG-CE1 4.12Å; P322-Y465 HydrophobicContact CG-CE2 3.98Å; H438-Y465 HydrophobicContact CB-CD1 3.92Å; H438-Y465 HydrophobicContact CB-CE1 3.63Å; H438-Y465 HydrophobicContact CB-CG 4.5Å; H438-Y465 AromaticContact CD2-CD2 3.55Å; H438-Y465 AromaticContact CD2-CE2 3.6Å; H438-Y465 AromaticContact CD2-CG 3.83Å; H438-Y465 AromaticContact CD2-CZ 3.88Å; H438-Y465 AromaticContact CE1-CE2 3.64Å; H438-Y465 AromaticContact CE1-CZ 3.88Å; H438-Y465 AromaticContact CG-CE1 3.69Å; H438-Y465 AromaticContact CG-CE2 3.79Å; H438-Y465 AromaticContact CG-CZ 3.56Å; H438-Y465 AromaticContact ND1-CE2 3.79Å; H438-Y465 AromaticContact ND1-CZ 3.55Å; H438-Y465 AromaticContact NE2-CD2 3.75Å; H438-Y465 AromaticContact NE2-CE2 3.55Å; A462-Y465 PolarHBondContact O-N 3.17Å; A462-Y465 VanDerWaalsContact O-N 3.12Å; H463-Y465 PolarHBondContact O-N 3.27Å; Y465-G467 PolarHBondContact O-N 3Å; Y465-I468 VanDerWaalsContact CB-CD1 3.47Å; Y465-I468 HydrophobicContact CG-CD1 4.12Å; Y465-I468 PolarHBondContact O-N 2.7Å
466R98.6Very high98Very high2 Ų228.5 Ų28.51%0.00815%0.151CC..THydrogen-bonded Turntrans-61.2134.3-178.5-164.717767.460.9-30.5112N43 D356 S441 R444 P445 I468N43-R466 HydrophobicContact CB-CG 4.02Å; N43-R466 CarbonylContact O-C 3.49Å; D356-R466 HydrophobicContact CB-CB 4.27Å; D356-R466 VanDerWaalsContact OD1-CB 3.27Å; D356-R466 WeakPolarHBondContact OD1-CB 3.25Å; D356-R466 PolarHBondContact OD1-N 3.46Å; S441-R466 VanDerWaalsContact CB-O 3.27Å; S441-R466 WeakPolarHBondContact CB-O 3.32Å; S441-R466 PolarHBondContact OG-N 3.12Å; S441-R466 PolarHBondContact OG-O 2.99Å; R444-R466 VanDerWaalsContact C-NH2 3.34Å; R444-R466 PolarHBondContact O-NH2 3.41Å; R444-R466 VanDerWaalsContact O-NH2 3.08Å; P445-R466 PolarHBondContact O-NH1 3.44Å; P445-R466 VanDerWaalsContact O-NH1 3.12Å; R466-I468 VanDerWaalsContact C-N 3.26Å; R466-I468 PolarHBondContact O-N 3.35Å
467G98.2Very high97.8Very high0 Ų031.1 Ų31.10%017%0.165CC..THydrogen-bonded Turntrans84.7-6.8172.600000113.8N43 I449 Y465 F469N43-G467 PolarHBondContact O-N 3.41Å; I449-G467 WeakPolarHBondContact CA-O 3.38Å; I449-G467 WeakPolarHBondContact CB-O 3.44Å; I449-G467 PolarHBondContact N-O 2.98Å; Y465-G467 PolarHBondContact O-N 3Å; G467-F469 VanDerWaalsContact O-CD2 3.31Å; G467-F469 WeakPolarHBondContact O-CD2 3.35Å; G467-F469 PolarHBondContact O-N 3.4Å
468I98.8Very high97.6Very high7 Ų732.4 Ų32.44%0.03617%0.171CC..EExtended strand (participates in β ladder)trans-84.4117.5-179.2-50.7-175.3000110.9A437 I449 A451 A462 Y465 R466 P470A437-I468 HydrophobicContact CB-CD1 3.77Å; A437-I468 HydrophobicContact CB-CG1 4.46Å; A437-I468 HydrophobicContact CB-CG2 4.4Å; A437-I468 WeakPolarHBondContact O-CD1 3.3Å; I449-I468 HydrophobicContact CB-CG1 4.48Å; I449-I468 HydrophobicContact CD1-CG1 4.29Å; A451-I468 HydrophobicContact CB-CG2 3.46Å; A451-I468 VanDerWaalsContact CB-CG2 3.46Å; A462-I468 HydrophobicContact CB-CB 4.47Å; A462-I468 HydrophobicContact CB-CG2 3.76Å; Y465-I468 VanDerWaalsContact CB-CD1 3.47Å; Y465-I468 HydrophobicContact CG-CD1 4.12Å; Y465-I468 PolarHBondContact O-N 2.7Å; R466-I468 VanDerWaalsContact C-N 3.26Å; R466-I468 PolarHBondContact O-N 3.35Å; I468-P470 WeakPolarHBondContact O-CD 3.48Å
469F98.6Very high97.3Very high30 Ų3039.8 Ų39.813%0.13221%0.211CC..EExtended strand (participates in β ladder)trans-102.599.9168.7-68.5-96.6000108.4A41 R42 N43 P448 I449 L450 A451 G467 V471 F501A41-F469 HydrophobicContact CB-CE2 4.19Å; A41-F469 HydrophobicContact CB-CZ 3.76Å; R42-F469 WeakPolarHBondContact O-CZ 3.46Å; N43-F469 WeakPolarHBondContact OD1-CE2 3.33Å; P448-F469 HydrophobicContact CB-CD2 3.48Å; P448-F469 VanDerWaalsContact CB-CD2 3.48Å; P448-F469 HydrophobicContact CB-CE2 3.34Å; P448-F469 HydrophobicContact CB-CZ 4.27Å; I449-F469 PolarHBondContact O-N 2.96Å; L450-F469 HydrophobicContact CD2-CB 3.73Å; L450-F469 HydrophobicContact CD2-CG 4.4Å; A451-F469 PolarHBondContact N-O 3.33Å; G467-F469 VanDerWaalsContact O-CD2 3.31Å; G467-F469 WeakPolarHBondContact O-CD2 3.35Å; G467-F469 PolarHBondContact O-N 3.4Å; F469-V471 PolarHBondContact O-N 3.39Å; F469-F501 AromaticContact CD1-CE2 3.89Å; F469-F501 HydrophobicContact CD1-CE2 3.89Å; F469-F501 AromaticContact CD1-CZ 3.7Å; F469-F501 HydrophobicContact CD1-CZ 3.7Å; F469-F501 HydrophobicContact CE1-CE1 4.46Å; F469-F501 HydrophobicContact CE1-CE2 4.21Å; F469-F501 AromaticContact CE1-CZ 3.64Å; F469-F501 HydrophobicContact CE1-CZ 3.64Å; F469-F501 HydrophobicContact CG-CE2 4.12Å; F469-F501 HydrophobicContact CG-CZ 4.36Å; F469-F501 HydrophobicContact CZ-CZ 4.27Å
470P98.2Very high97.1Very high7 Ų743 Ų435%0.04523%0.23CC..EExtended strand (participates in β ladder)trans-69.8133.2-17928.1-33.8000111.1P106 A459 A462 H463 I468P106-P470 HydrophobicContact CB-CG 4.33Å; P106-P470 HydrophobicContact CG-CB 4.15Å; P106-P470 HydrophobicContact CG-CG 3.99Å; A459-P470 HydrophobicContact CB-CB 4.02Å; A459-P470 WeakPolarHBondContact O-CB 3.39Å; A459-P470 WeakPolarHBondContact O-CG 3.34Å; A462-P470 HydrophobicContact CB-CB 4.18Å; H463-P470 WeakPolarHBondContact CE1-CD 3.5Å; H463-P470 WeakPolarHBondContact CE1-CG 3.38Å; H463-P470 VanDerWaalsContact NE2-CG 3.32Å; H463-P470 WeakPolarHBondContact NE2-CG 3.42Å; I468-P470 WeakPolarHBondContact O-CD 3.48Å
471V97.7Very high96.9Very high5 Ų544.2 Ų44.23%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-117.4104.7177.81780000107.5L450 A451 V452 T453 F469 Y473 F491 M495L450-V471 HydrophobicContact CB-CG2 4.42Å; A451-V471 PolarHBondContact O-N 3.01Å; V452-V471 WeakPolarHBondContact CA-O 3.29Å; V452-V471 HydrophobicContact CG1-CG1 4.38Å; V452-V471 HydrophobicContact CG2-CB 4.21Å; V452-V471 HydrophobicContact CG2-CG1 4.36Å; T453-V471 PolarHBondContact N-O 2.83Å; F469-V471 PolarHBondContact O-N 3.39Å; V471-Y473 PolarHBondContact O-N 3.05Å; V471-F491 HydrophobicContact CG1-CD1 3.48Å; V471-F491 VanDerWaalsContact CG1-CD1 3.48Å; V471-F491 HydrophobicContact CG1-CE1 3.34Å; V471-M495 HydrophobicContact CG2-CE 3.92Å; V471-M495 HydrophobicContact CG2-CG 4.41Å; V471-M495 HydrophobicContact CG2-SD 4.21Å
472L98Very high96.6Very high18 Ų1846.1 Ų46.19%0.09425%0.252CS..EExtended strand (participates in β ladder)trans-79.1114.3177.2-178.762.2000109.6G100 Y104 T453 A456 T474G100-L472 WeakPolarHBondContact CA-O 3.41Å; Y104-L472 HydrophobicContact CD1-CB 4.15Å; Y104-L472 HydrophobicContact CD1-CD2 4.29Å; Y104-L472 HydrophobicContact CE1-CB 4.13Å; Y104-L472 HydrophobicContact CE1-CD2 3.68Å; T453-L472 WeakPolarHBondContact O-CA 3.26Å; A456-L472 HydrophobicContact CB-CD1 4.21Å; A456-L472 HydrophobicContact CB-CD2 4.39Å; L472-T474 HydrophobicContact CD2-CG2 4.29Å; L472-T474 HydrophobicContact CG-CG2 4.14Å
473Y97.8Very high96.5Very high6 Ų650.3 Ų50.32%0.02427%0.271CS..  trans-100116.4176.5-172.2-99.2000109.7T453 R454 V471 K475 M487 R488 F491T453-Y473 PolarHBondContact O-N 3.14Å; R454-Y473 WeakPolarHBondContact CA-O 3.45Å; R454-Y473 HydrophobicContact CG-CD1 4.17Å; R454-Y473 WeakPolarHBondContact CG-O 3.08Å; R454-Y473 VanDerWaalsContact NH2-CE1 3.26Å; V471-Y473 PolarHBondContact O-N 3.05Å; Y473-K475 HydrophobicContact CD1-CB 4.34Å; Y473-K475 HydrophobicContact CE1-CB 3.57Å; Y473-K475 HydrophobicContact CE1-CG 4.45Å; Y473-K475 HydrophobicContact CE2-CB 4.45Å; Y473-K475 HydrophobicContact CE2-CD 4.23Å; Y473-K475 WeakPolarHBondContact OH-CD 3.43Å; Y473-M487 WeakPolarHBondContact OH-CB 3.39Å; Y473-R488 HydrophobicContact CD1-CG 3.7Å; Y473-R488 HydrophobicContact CD2-CG 4.19Å; Y473-R488 HydrophobicContact CE1-CG 3.73Å; Y473-R488 HydrophobicContact CE2-CG 4.22Å; Y473-R488 HydrophobicContact CG-CG 3.92Å; Y473-F491 HydrophobicContact CD2-CB 3.88Å; Y473-F491 AromaticContact CD2-CD1 3.59Å; Y473-F491 HydrophobicContact CD2-CD1 3.59Å; Y473-F491 HydrophobicContact CD2-CD2 4.44Å; Y473-F491 HydrophobicContact CD2-CE1 4.2Å; Y473-F491 AromaticContact CD2-CG 3.71Å; Y473-F491 HydrophobicContact CD2-CG 3.71Å; Y473-F491 HydrophobicContact CE2-CB 3.79Å; Y473-F491 HydrophobicContact CE2-CD1 4.32Å; Y473-F491 AromaticContact CE2-CG 3.97Å; Y473-F491 HydrophobicContact CE2-CG 3.97Å
474T96.4Very high96.4Very high84 Ų8450.1 Ų50.152%0.51527%0.27SS..  trans-99.9-12-172.452.30000114.1L472L472-T474 HydrophobicContact CD2-CG2 4.29Å; L472-T474 HydrophobicContact CG-CG2 4.14Å
475K95.4Very high96.2Very high130 Ų13050.3 Ų50.357%0.56527%0.272SS*.SBendtrans-67143.4178.2-62.2177.4176.8176.80110.7R454 Y473R454-K475 PolarHBondContact NE-O 3.47Å; R454-K475 PolarHBondContact NH2-O 3.18Å; Y473-K475 HydrophobicContact CD1-CB 4.34Å; Y473-K475 HydrophobicContact CE1-CB 3.57Å; Y473-K475 HydrophobicContact CE1-CG 4.45Å; Y473-K475 HydrophobicContact CE2-CB 4.45Å; Y473-K475 HydrophobicContact CE2-CD 4.23Å; Y473-K475 WeakPolarHBondContact OH-CD 3.43Å
476P94.3Very high96.1Very high105 Ų10553.1 Ų53.168%0.68229%0.289SS*.PPolyproline II helixtrans-61159.5-179.526.2-34.7000111.8R454R454-P476 PolarHBondContact NH2-O 2.97Å
477P93.6Very high96Very high91 Ų9157 Ų5759%0.59131%0.308SS*.PPolyproline II helixtrans-57.2137.9170.5-22.334.2000111.6D484P477-D484 WeakPolarHBondContact CA-OD1 3.22Å
478H94.1Very high96Very high70 Ų7058.7 Ų58.732%0.32431%0.314SS..PPolyproline II helixtrans-85146.2169.4-165-96.3000110.8V480 E483 D484H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact ND1-N 3.2Å; H478-V480 VanDerWaalsContact ND1-N 3.19Å; H478-V480 PolarHBondContact ND1-O 3.44Å; H478-V480 PolarHBondContact O-N 3.39Å; H478-E483 IonicContact CE1-OE2 2.7Å; H478-E483 PolarHBondContact CE1-OE2 2.97Å; H478-E483 IonicContact ND1-OE2 3.46Å; H478-E483 PolarHBondContact ND1-OE2 3.15Å; H478-E483 IonicContact NE2-OE2 3.67Å; H478-D484 HydrophobicContact CB-CB 3.89Å; H478-D484 PolarHBondContact N-OD1 2.86Å
479D92.6Very high95.9Very high165 Ų16558.8 Ų58.888%0.88232%0.315SS*.SBendtrans-63.9-35.6-177.7-67.4-29.9000112.1
480V95.1Very high95.8Very high68 Ų6861.6 Ų61.641%0.41233%0.332SS..SBendtrans-87.4110.5173.4-175.90000109.2H478 A482 E483 D484H478-V480 VanDerWaalsContact C-N 3.28Å; H478-V480 PolarHBondContact ND1-N 3.2Å; H478-V480 VanDerWaalsContact ND1-N 3.19Å; H478-V480 PolarHBondContact ND1-O 3.44Å; H478-V480 PolarHBondContact O-N 3.39Å; V480-A482 VanDerWaalsContact C-N 3.33Å; V480-A482 HydrophobicContact CG1-CB 4.48Å; V480-A482 PolarHBondContact O-N 2.91Å; V480-E483 HydrophobicContact CB-CB 4.18Å; V480-E483 HydrophobicContact CB-CG 4.08Å; V480-E483 HydrophobicContact CG1-CB 4.32Å; V480-E483 HydrophobicContact CG1-CG 3.9Å; V480-E483 PolarHBondContact O-N 3.08Å; V480-D484 PolarHBondContact O-N 3.32Å
481W92.8Very high95.8Very high82 Ų8262.4 Ų62.431%0.31133%0.334SS..Hα-helixtrans-59.5-38.1-175.9173.468.6000114.2D484 V485 G513 W514 P516W481-D484 WeakPolarHBondContact O-CB 3.42Å; W481-D484 PolarHBondContact O-N 3.37Å; W481-V485 HydrophobicContact CD2-CG2 4.32Å; W481-V485 HydrophobicContact CZ2-CG2 3.9Å; W481-V485 WeakPolarHBondContact O-CG2 3.23Å; W481-V485 PolarHBondContact O-N 2.86Å; W481-G513 WeakPolarHBondContact CH2-O 3.42Å; W481-G513 WeakPolarHBondContact CZ2-O 3.24Å; W481-W514 WeakPolarHBondContact CH2-O 3.42Å; W481-W514 WeakPolarHBondContact CZ3-O 3.38Å; W481-P516 HydrophobicContact CB-CG 4.25Å; W481-P516 HydrophobicContact CG-CG 3.83Å
482A94.3Very high95.8Very high52 Ų5262.1 Ų62.143%0.4333%0.333SS..Hα-helixtrans-62.1-44.9177.600000111.3V480 D484 V485 D486V480-A482 VanDerWaalsContact C-N 3.33Å; V480-A482 HydrophobicContact CG1-CB 4.48Å; V480-A482 PolarHBondContact O-N 2.91Å; A482-D484 PolarHBondContact O-N 2.9Å; A482-V485 WeakPolarHBondContact O-CB 3.31Å; A482-V485 PolarHBondContact O-N 3.27Å; A482-D486 PolarHBondContact O-N 2.82Å
483E95.5Very high95.7Very high93 Ų9362.2 Ų62.244%0.43533%0.333SS..Hα-helixtrans-65.9-38.7175.9-63.7176.9-157.800111.5H478 V480 V485 D486 M487H478-E483 IonicContact CE1-OE2 2.7Å; H478-E483 PolarHBondContact CE1-OE2 2.97Å; H478-E483 IonicContact ND1-OE2 3.46Å; H478-E483 PolarHBondContact ND1-OE2 3.15Å; H478-E483 IonicContact NE2-OE2 3.67Å; V480-E483 HydrophobicContact CB-CB 4.18Å; V480-E483 HydrophobicContact CB-CG 4.08Å; V480-E483 HydrophobicContact CG1-CB 4.32Å; V480-E483 HydrophobicContact CG1-CG 3.9Å; V480-E483 PolarHBondContact O-N 3.08Å; E483-V485 VanDerWaalsContact C-N 3.28Å; E483-V485 PolarHBondContact O-N 3.17Å; E483-D486 PolarHBondContact O-N 3.36Å; E483-M487 WeakPolarHBondContact O-CB 3.46Å; E483-M487 VanDerWaalsContact O-CG 3.26Å; E483-M487 WeakPolarHBondContact O-CG 3.29Å; E483-M487 PolarHBondContact O-N 3.22Å
484D96.1Very high95.6Very high10 Ų1067.4 Ų67.45%0.05336%0.357CS..Hα-helixtrans-60.5-36.6174.2-171.473.6000112.9R454 P477 H478 V480 W481 A482 R488R454-D484 IonicContact CZ-OD1 2.78Å; R454-D484 IonicContact CZ-OD2 3.21Å; R454-D484 IonicContact NH1-OD1 2.6Å; R454-D484 PolarHBondContact NH1-OD1 3.04Å; R454-D484 IonicContact NH1-OD2 3.18Å; R454-D484 PolarHBondContact NH1-OD2 2.93Å; R454-D484 IonicContact NH2-OD1 2.75Å; R454-D484 PolarHBondContact NH2-OD1 2.94Å; R454-D484 IonicContact NH2-OD2 2.71Å; P477-D484 WeakPolarHBondContact CA-OD1 3.22Å; H478-D484 HydrophobicContact CB-CB 3.89Å; H478-D484 PolarHBondContact N-OD1 2.86Å; V480-D484 PolarHBondContact O-N 3.32Å; W481-D484 WeakPolarHBondContact O-CB 3.42Å; W481-D484 PolarHBondContact O-N 3.37Å; A482-D484 PolarHBondContact O-N 2.9Å; D484-R488 WeakPolarHBondContact O-CG 3.42Å; D484-R488 PolarHBondContact O-N 3.43Å; D484-R488 PolarHBondContact O-NE 2.99Å; D484-R488 IonicContact OD2-CZ 3.19Å; D484-R488 IonicContact OD2-NE 3.04Å; D484-R488 PolarHBondContact OD2-NE 3.15Å; D484-R488 IonicContact OD2-NH2 3.63Å; D484-R488 PolarHBondContact OD2-NH2 3.46Å
485V96.4Very high95.5Very high8 Ų863.6 Ų63.65%0.04833%0.334CS..Hα-helixtrans-67.2-50.11751640000109.9L430 W481 A482 E483 M487 R488 V489 T512L430-V485 HydrophobicContact CD1-CB 4.23Å; L430-V485 HydrophobicContact CD1-CG1 3.89Å; L430-V485 HydrophobicContact CD1-CG2 4.13Å; W481-V485 HydrophobicContact CD2-CG2 4.32Å; W481-V485 HydrophobicContact CZ2-CG2 3.9Å; W481-V485 WeakPolarHBondContact O-CG2 3.23Å; W481-V485 PolarHBondContact O-N 2.86Å; A482-V485 WeakPolarHBondContact O-CB 3.31Å; A482-V485 PolarHBondContact O-N 3.27Å; E483-V485 VanDerWaalsContact C-N 3.28Å; E483-V485 PolarHBondContact O-N 3.17Å; V485-M487 PolarHBondContact O-N 3.33Å; V485-R488 PolarHBondContact O-N 3.37Å; V485-V489 HydrophobicContact CG1-CG2 4.44Å; V485-V489 WeakPolarHBondContact O-CG2 3.39Å; V485-V489 PolarHBondContact O-N 2.81Å; V485-T512 HydrophobicContact CG1-CG2 3.6Å
486D96.1Very high95.5Very high83 Ų8357.4 Ų57.444%0.44431%0.307SS..Hα-helixtrans-63.1-41.9-177.8-68.4-17.9000111.7A482 E483 R488 V489 N490A482-D486 PolarHBondContact O-N 2.82Å; E483-D486 PolarHBondContact O-N 3.36Å; D486-R488 VanDerWaalsContact C-N 3.29Å; D486-R488 PolarHBondContact O-N 2.96Å; D486-V489 PolarHBondContact O-N 3.48Å; D486-N490 WeakPolarHBondContact O-CB 3.35Å; D486-N490 PolarHBondContact O-N 2.92Å; D486-N490 PolarHBondContact O-ND2 3.44Å
487M97.1Very high95.6Very high84 Ų8455.7 Ų55.741%0.41429%0.289SS..Hα-helixtrans-59.3-38.1175.7-72.1-176.6-171.600112.8Y473 E483 V485 F491Y473-M487 WeakPolarHBondContact OH-CB 3.39Å; E483-M487 WeakPolarHBondContact O-CB 3.46Å; E483-M487 VanDerWaalsContact O-CG 3.26Å; E483-M487 WeakPolarHBondContact O-CG 3.29Å; E483-M487 PolarHBondContact O-N 3.22Å; V485-M487 PolarHBondContact O-N 3.33Å; M487-F491 WeakPolarHBondContact O-CB 3.42Å; M487-F491 PolarHBondContact O-N 3.48Å; M487-F491 VanDerWaalsContact O-N 3.12Å
488R97.3Very high95.6Very high35 Ų3553.9 Ų53.913%0.13228%0.281CS..Hα-helixtrans-74.6-38.3178.1-76.9-178.8-72.8152.1-5.3112.4L430 V452 Y473 D484 V485 D486 A492L430-R488 HydrophobicContact CD1-CB 4.26Å; L430-R488 HydrophobicContact CD2-CB 3.79Å; V452-R488 HydrophobicContact CG1-CB 4.06Å; V452-R488 HydrophobicContact CG1-CG 4.31Å; Y473-R488 HydrophobicContact CD1-CG 3.7Å; Y473-R488 HydrophobicContact CD2-CG 4.19Å; Y473-R488 HydrophobicContact CE1-CG 3.73Å; Y473-R488 HydrophobicContact CE2-CG 4.22Å; Y473-R488 HydrophobicContact CG-CG 3.92Å; D484-R488 WeakPolarHBondContact O-CG 3.42Å; D484-R488 PolarHBondContact O-N 3.43Å; D484-R488 PolarHBondContact O-NE 2.99Å; D484-R488 IonicContact OD2-CZ 3.19Å; D484-R488 IonicContact OD2-NE 3.04Å; D484-R488 PolarHBondContact OD2-NE 3.15Å; D484-R488 IonicContact OD2-NH2 3.63Å; D484-R488 PolarHBondContact OD2-NH2 3.46Å; V485-R488 PolarHBondContact O-N 3.37Å; D486-R488 VanDerWaalsContact C-N 3.29Å; D486-R488 PolarHBondContact O-N 2.96Å; R488-A492 PolarHBondContact O-N 3.21Å
489V97.4Very high95.5Very high9 Ų952.9 Ų52.96%0.05528%0.275CS..Hα-helixtrans-63.5-47.9174169.80000110.1L430 V485 D486 F491 A492 M493 I510L430-V489 HydrophobicContact CD1-CG2 4.34Å; L430-V489 HydrophobicContact CD2-CG2 4.32Å; V485-V489 HydrophobicContact CG1-CG2 4.44Å; V485-V489 WeakPolarHBondContact O-CG2 3.39Å; V485-V489 PolarHBondContact O-N 2.81Å; D486-V489 PolarHBondContact O-N 3.48Å; V489-F491 VanDerWaalsContact C-N 3.3Å; V489-F491 PolarHBondContact O-N 3.2Å; V489-A492 WeakPolarHBondContact O-CB 3.3Å; V489-A492 PolarHBondContact O-N 2.82Å; V489-M493 HydrophobicContact CG1-CE 4.19Å; V489-M493 HydrophobicContact CG1-CG 4.44Å; V489-M493 WeakPolarHBondContact O-CG 3.41Å; V489-M493 PolarHBondContact O-N 3.35Å; V489-I510 HydrophobicContact CG1-CD1 3.7Å; V489-I510 HydrophobicContact CG1-CG1 4.34Å; V489-I510 HydrophobicContact CG2-CG2 3.94Å
490N96.8Very high95.6Very high89 Ų8947 Ų4748%0.47625%0.253SS..Hα-helixtrans-60.6-40.2178.8-70.8-18.1000111.7D486 A492 M493 E494D486-N490 WeakPolarHBondContact O-CB 3.35Å; D486-N490 PolarHBondContact O-N 2.92Å; D486-N490 PolarHBondContact O-ND2 3.44Å; N490-A492 VanDerWaalsContact C-N 3.32Å; N490-A492 PolarHBondContact O-N 3.29Å; N490-M493 WeakPolarHBondContact O-CB 3.41Å; N490-M493 PolarHBondContact O-N 3.1Å; N490-M493 VanDerWaalsContact O-N 3.14Å; N490-E494 WeakPolarHBondContact O-CG 3.45Å; N490-E494 PolarHBondContact O-N 3.22Å
491F97.1Very high95.5Very high23 Ų2345 Ų4510%0.10124%0.239CC..Hα-helixtrans-61-39.3174-176.4-108.3000112.9G100 I102 V471 Y473 M487 V489 M495G100-F491 WeakPolarHBondContact O-CZ 3.42Å; I102-F491 HydrophobicContact CG2-CE2 4.14Å; V471-F491 HydrophobicContact CG1-CD1 3.48Å; V471-F491 VanDerWaalsContact CG1-CD1 3.48Å; V471-F491 HydrophobicContact CG1-CE1 3.34Å; Y473-F491 HydrophobicContact CD2-CB 3.88Å; Y473-F491 AromaticContact CD2-CD1 3.59Å; Y473-F491 HydrophobicContact CD2-CD1 3.59Å; Y473-F491 HydrophobicContact CD2-CD2 4.44Å; Y473-F491 HydrophobicContact CD2-CE1 4.2Å; Y473-F491 AromaticContact CD2-CG 3.71Å; Y473-F491 HydrophobicContact CD2-CG 3.71Å; Y473-F491 HydrophobicContact CE2-CB 3.79Å; Y473-F491 HydrophobicContact CE2-CD1 4.32Å; Y473-F491 AromaticContact CE2-CG 3.97Å; Y473-F491 HydrophobicContact CE2-CG 3.97Å; M487-F491 WeakPolarHBondContact O-CB 3.42Å; M487-F491 PolarHBondContact O-N 3.48Å; M487-F491 VanDerWaalsContact O-N 3.12Å; V489-F491 VanDerWaalsContact C-N 3.3Å; V489-F491 PolarHBondContact O-N 3.2Å; F491-M495 WeakPolarHBondContact O-CB 3.46Å; F491-M495 PolarHBondContact O-N 2.93Å
492A97.1Very high95.6Very high0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-66.8-37.1174.200000112.4I428 L450 V452 R488 V489 N490 M495 G496I428-A492 HydrophobicContact CD1-CB 4.18Å; I428-A492 HydrophobicContact CG1-CB 4.16Å; I428-A492 HydrophobicContact CG2-CB 3.77Å; L450-A492 HydrophobicContact CD1-CB 4.35Å; L450-A492 WeakPolarHBondContact CD1-O 3.42Å; V452-A492 HydrophobicContact CG2-CB 3.6Å; R488-A492 PolarHBondContact O-N 3.21Å; V489-A492 WeakPolarHBondContact O-CB 3.3Å; V489-A492 PolarHBondContact O-N 2.82Å; N490-A492 VanDerWaalsContact C-N 3.32Å; N490-A492 PolarHBondContact O-N 3.29Å; A492-M495 PolarHBondContact O-N 3.01Å; A492-G496 PolarHBondContact O-N 2.86Å
493M96.2Very high95.6Very high20 Ų2045.9 Ų45.910%0.09924%0.235CC..Hα-helixtrans-62.1-49.9174.5-65-73.9-166.200111I428 V489 N490 M495 G496 K497 F502 V508 I510 V527 V529I428-M493 HydrophobicContact CD1-CE 3.72Å; I428-M493 HydrophobicContact CD1-CG 4.07Å; I428-M493 HydrophobicContact CD1-SD 3.57Å; I428-M493 VanDerWaalsContact CD1-SD 3.57Å; V489-M493 HydrophobicContact CG1-CE 4.19Å; V489-M493 HydrophobicContact CG1-CG 4.44Å; V489-M493 WeakPolarHBondContact O-CG 3.41Å; V489-M493 PolarHBondContact O-N 3.35Å; N490-M493 WeakPolarHBondContact O-CB 3.41Å; N490-M493 PolarHBondContact O-N 3.1Å; N490-M493 VanDerWaalsContact O-N 3.14Å; M493-M495 VanDerWaalsContact C-N 3.34Å; M493-M495 PolarHBondContact O-N 3.32Å; M493-G496 PolarHBondContact O-N 3.16Å; M493-K497 WeakPolarHBondContact O-CG 3.49Å; M493-K497 PolarHBondContact O-N 3.33Å; M493-F502 WeakPolarHBondContact O-CE2 3.41Å; M493-F502 HydrophobicContact SD-CE2 4.14Å; M493-F502 HydrophobicContact SD-CZ 4.29Å; M493-V508 HydrophobicContact CE-CG2 3.4Å; M493-V508 HydrophobicContact SD-CG2 3.91Å; M493-I510 HydrophobicContact CE-CD1 3.83Å; M493-I510 HydrophobicContact CE-CG1 4.38Å; M493-V527 HydrophobicContact CE-CG2 3.89Å; M493-V529 HydrophobicContact SD-CG2 4.13Å
494E95.9Very high95.6Very high115 Ų11546.2 Ų46.254%0.53724%0.24SC..Hα-helixtrans-57.8-46.1176.9-72.4174-179.300111.6N490 K497 A498N490-E494 WeakPolarHBondContact O-CG 3.45Å; N490-E494 PolarHBondContact O-N 3.22Å; E494-K497 PolarHBondContact O-N 3.39Å; E494-A498 VanDerWaalsContact O-CB 3.32Å; E494-A498 WeakPolarHBondContact O-CB 3.42Å; E494-A498 PolarHBondContact O-N 3.5Å
495M94.9Very high95.5Very high4 Ų448.2 Ų48.22%0.0226%0.263CS..Hα-helixtrans-62.2-46.2177.3-178.3-79.4-160.700111.8L450 V471 F491 A492 M493 K497 A498 R499 F501L450-M495 HydrophobicContact CD2-SD 4.19Å; V471-M495 HydrophobicContact CG2-CE 3.92Å; V471-M495 HydrophobicContact CG2-CG 4.41Å; V471-M495 HydrophobicContact CG2-SD 4.21Å; F491-M495 WeakPolarHBondContact O-CB 3.46Å; F491-M495 PolarHBondContact O-N 2.93Å; A492-M495 PolarHBondContact O-N 3.01Å; M493-M495 VanDerWaalsContact C-N 3.34Å; M493-M495 PolarHBondContact O-N 3.32Å; M495-K497 PolarHBondContact O-N 3.18Å; M495-A498 PolarHBondContact O-N 3.31Å; M495-R499 VanDerWaalsContact CE-CD 3.42Å; M495-R499 WeakPolarHBondContact O-CB 3.48Å; M495-R499 WeakPolarHBondContact O-CG 3.48Å; M495-R499 PolarHBondContact O-N 3.28Å; M495-R499 HydrophobicContact SD-CG 4.21Å; M495-F501 HydrophobicContact CE-CE2 4.45Å; M495-F501 HydrophobicContact SD-CE2 4.36Å
496G95.1Very high95.5Very high0 Ų049.6 Ų49.60%027%0.27CS..Hα-helixtrans-64.2-39.3179.900000112.9A492 M493 R499 G500 F501A492-G496 PolarHBondContact O-N 2.86Å; M493-G496 PolarHBondContact O-N 3.16Å; G496-R499 PolarHBondContact O-N 3.27Å; G496-G500 PolarHBondContact O-N 3.4Å; G496-F501 PolarHBondContact O-N 3.46Å
497K95.6Very high95.5Very high69 Ų6947.3 Ų47.330%0.326%0.259SS..Hα-helixtrans-62.4-50171-69.6-178.6-169.4-168.20111.5M493 E494 M495 R499 G500 F502 D504 V529 A530M493-K497 WeakPolarHBondContact O-CG 3.49Å; M493-K497 PolarHBondContact O-N 3.33Å; E494-K497 PolarHBondContact O-N 3.39Å; M495-K497 PolarHBondContact O-N 3.18Å; K497-R499 PolarHBondContact O-N 3.3Å; K497-G500 PolarHBondContact O-N 3.4Å; K497-F502 HydrophobicContact CG-CD2 4.13Å; K497-F502 HydrophobicContact CG-CE2 4.09Å; K497-D504 WeakPolarHBondContact CE-OD1 3.37Å; K497-D504 IonicContact NZ-OD1 2.63Å; K497-D504 PolarHBondContact NZ-OD1 3.12Å; K497-V529 HydrophobicContact CD-CG1 4.38Å; K497-V529 HydrophobicContact CG-CG1 4.4Å; K497-A530 PolarHBondContact NZ-O 2.67Å
498A94.2Very high95.5Very high53 Ų5343.3 Ų43.344%0.43824%0.239SC..Hα-helixtrans-62.2-27.8-178.500000113.3I102 E494 M495I102-A498 HydrophobicContact CD1-CB 3.9Å; E494-A498 VanDerWaalsContact O-CB 3.32Å; E494-A498 WeakPolarHBondContact O-CB 3.42Å; E494-A498 PolarHBondContact O-N 3.5Å; M495-A498 PolarHBondContact O-N 3.31Å
499R91.8Very high95.6Very high48 Ų4841.6 Ų41.618%0.18123%0.233CC..THydrogen-bonded Turntrans-91.70.4176-66.6-165.9-177.1-156.62.8114.3T40 I102 H103 Y104 M495 G496 K497 F501T40-R499 WeakPolarHBondContact CG2-O 3.44Å; I102-R499 PolarHBondContact O-NE 3.25Å; I102-R499 PolarHBondContact O-NH2 3.39Å; H103-R499 PolarHBondContact O-NH2 3.49Å; Y104-R499 PolarHBondContact O-NH2 2.91Å; M495-R499 VanDerWaalsContact CE-CD 3.42Å; M495-R499 WeakPolarHBondContact O-CB 3.48Å; M495-R499 WeakPolarHBondContact O-CG 3.48Å; M495-R499 PolarHBondContact O-N 3.28Å; M495-R499 HydrophobicContact SD-CG 4.21Å; G496-R499 PolarHBondContact O-N 3.27Å; K497-R499 PolarHBondContact O-N 3.3Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 HydrophobicContact CB-CD1 4Å; R499-F501 HydrophobicContact CB-CD2 4.34Å; R499-F501 HydrophobicContact CB-CE1 3.84Å; R499-F501 HydrophobicContact CB-CE2 4.2Å; R499-F501 HydrophobicContact CB-CG 4.26Å; R499-F501 HydrophobicContact CB-CZ 3.95Å; R499-F501 PolarHBondContact O-N 3.16Å
500G94.3Very high95.6Very high42 Ų4241.7 Ų41.743%0.43323%0.233SC..THydrogen-bonded Turntrans64.733-179.400000113.1T40 G496 K497T40-G500 PolarHBondContact OG1-O 3.1Å; G496-G500 PolarHBondContact O-N 3.4Å; K497-G500 PolarHBondContact O-N 3.4Å
501F94.1Very high95.7Very high25 Ų2537.5 Ų37.511%0.1121%0.21CC..SBendtrans-80.6-32172.5-64-12.7000111.6A41 P448 L450 F469 M495 G496 R499A41-F501 HydrophobicContact CB-CD1 3.92Å; A41-F501 HydrophobicContact CB-CE1 3.86Å; A41-F501 HydrophobicContact CB-CG 4.49Å; A41-F501 HydrophobicContact CB-CZ 4.37Å; P448-F501 HydrophobicContact CG-CD2 4.47Å; L450-F501 HydrophobicContact CD2-CD2 3.87Å; L450-F501 HydrophobicContact CD2-CE2 3.84Å; F469-F501 AromaticContact CD1-CE2 3.89Å; F469-F501 HydrophobicContact CD1-CE2 3.89Å; F469-F501 AromaticContact CD1-CZ 3.7Å; F469-F501 HydrophobicContact CD1-CZ 3.7Å; F469-F501 HydrophobicContact CE1-CE1 4.46Å; F469-F501 HydrophobicContact CE1-CE2 4.21Å; F469-F501 AromaticContact CE1-CZ 3.64Å; F469-F501 HydrophobicContact CE1-CZ 3.64Å; F469-F501 HydrophobicContact CG-CE2 4.12Å; F469-F501 HydrophobicContact CG-CZ 4.36Å; F469-F501 HydrophobicContact CZ-CZ 4.27Å; M495-F501 HydrophobicContact CE-CE2 4.45Å; M495-F501 HydrophobicContact SD-CE2 4.36Å; G496-F501 PolarHBondContact O-N 3.46Å; R499-F501 VanDerWaalsContact C-N 3.29Å; R499-F501 HydrophobicContact CB-CD1 4Å; R499-F501 HydrophobicContact CB-CD2 4.34Å; R499-F501 HydrophobicContact CB-CE1 3.84Å; R499-F501 HydrophobicContact CB-CE2 4.2Å; R499-F501 HydrophobicContact CB-CG 4.26Å; R499-F501 HydrophobicContact CB-CZ 3.95Å; R499-F501 PolarHBondContact O-N 3.16Å
502F95.1Very high95.7Very high10 Ų1036.5 Ų36.54%0.04421%0.206CC..  trans-157.5165.3177.746.6-102.6000111.1S425 A426 L450 M493 K497 D506 V508 V529S425-F502 VanDerWaalsContact CB-CB 3.47Å; A426-F502 HydrophobicContact CB-CD1 3.59Å; A426-F502 HydrophobicContact CB-CE1 3.45Å; A426-F502 VanDerWaalsContact CB-CE1 3.45Å; L450-F502 HydrophobicContact CD1-CE1 3.76Å; L450-F502 HydrophobicContact CD1-CZ 4Å; M493-F502 WeakPolarHBondContact O-CE2 3.41Å; M493-F502 HydrophobicContact SD-CE2 4.14Å; M493-F502 HydrophobicContact SD-CZ 4.29Å; K497-F502 HydrophobicContact CG-CD2 4.13Å; K497-F502 HydrophobicContact CG-CE2 4.09Å; F502-D506 WeakPolarHBondContact CA-OD2 3.49Å; F502-D506 HydrophobicContact CB-CB 4.14Å; F502-D506 WeakPolarHBondContact CB-OD2 3.23Å; F502-V508 HydrophobicContact CD1-CG1 4.12Å; F502-V508 HydrophobicContact CE1-CG1 4.25Å; F502-V508 HydrophobicContact CG-CG1 4.29Å; F502-V529 HydrophobicContact CD2-CB 4.48Å; F502-V529 HydrophobicContact CD2-CG1 4.01Å; F502-V529 HydrophobicContact CD2-CG2 3.7Å; F502-V529 HydrophobicContact CE2-CG1 4.22Å; F502-V529 HydrophobicContact CE2-CG2 4.05Å; F502-V529 HydrophobicContact CG-CG2 4.31Å
503K94.5Very high95.4Very high144 Ų14437.2 Ų37.263%0.62621%0.213SC*.  trans-127172.4178.462.4-177.9178.4-172.90111.5G505 D506 V529K503-G505 PolarHBondContact O-N 2.98Å; K503-D506 WeakPolarHBondContact CG-OD1 3.35Å; K503-D506 PolarHBondContact N-OD2 3.15Å; K503-D506 VanDerWaalsContact O-CB 3.27Å; K503-D506 WeakPolarHBondContact O-CB 3.32Å; K503-D506 PolarHBondContact O-N 3.4Å; K503-D506 VanDerWaalsContact O-N 3.11Å; K503-V529 WeakPolarHBondContact O-CB 3.42Å
504D94.6Very high95Very high100 Ų10042.7 Ų42.754%0.53523%0.233SC..THydrogen-bonded Turntrans-57.6135.5176.1-58.6-11.2000110.7K497 D506K497-D504 WeakPolarHBondContact CE-OD1 3.37Å; K497-D504 IonicContact NZ-OD1 2.63Å; K497-D504 PolarHBondContact NZ-OD1 3.12Å; D504-D506 VanDerWaalsContact C-N 3.33Å
505G94.1Very high94.6Very high51 Ų5141.9 Ų41.953%0.52623%0.225SC..THydrogen-bonded Turntrans85.7-8.5-175.200000115.3K503 L528 V529K503-G505 PolarHBondContact O-N 2.98Å; G505-L528 WeakPolarHBondContact O-CD2 3.01Å; G505-V529 PolarHBondContact N-O 3.2Å
506D95.5Very high94.1Very high37 Ų3745.9 Ų45.920%0.19825%0.251CS..  trans-71.2156.3171.5-72.3-4000111.2S425 F502 K503 D504 L528 V529S425-D506 WeakPolarHBondContact OG-CB 3.48Å; S425-D506 PolarHBondContact OG-OD2 2.94Å; F502-D506 WeakPolarHBondContact CA-OD2 3.49Å; F502-D506 HydrophobicContact CB-CB 4.14Å; F502-D506 WeakPolarHBondContact CB-OD2 3.23Å; K503-D506 WeakPolarHBondContact CG-OD1 3.35Å; K503-D506 PolarHBondContact N-OD2 3.15Å; K503-D506 VanDerWaalsContact O-CB 3.27Å; K503-D506 WeakPolarHBondContact O-CB 3.32Å; K503-D506 PolarHBondContact O-N 3.4Å; K503-D506 VanDerWaalsContact O-N 3.11Å; D504-D506 VanDerWaalsContact C-N 3.33Å; D506-L528 CarbonylContact O-C 3.57Å; D506-L528 WeakPolarHBondContact O-CA 3.29Å; D506-V529 HydrophobicContact CB-CG2 4.38Å; D506-V529 WeakPolarHBondContact O-CG2 3.28Å; D506-V529 PolarHBondContact O-N 2.84Å
507V97.1Very high93.5Very high35 Ų3549.1 Ų49.121%0.21228%0.284CS..EExtended strand (participates in β ladder)trans-91.6134.2176.6178.70000110.2A424 S425 V526 V527 L528A424-V507 CarbonylContact C-O 3.58Å; A424-V507 VanDerWaalsContact CA-O 3.3Å; A424-V507 WeakPolarHBondContact CA-O 3.19Å; S425-V507 PolarHBondContact N-O 2.79Å; V507-V526 HydrophobicContact CG1-CG1 3.48Å; V507-V526 VanDerWaalsContact CG1-CG1 3.48Å; V507-V527 WeakPolarHBondContact CA-O 3.45Å; V507-L528 HydrophobicContact CG2-CD2 3.77Å
508V97.8Very high92.9Very high0 Ų049.1 Ų49.10%029%0.293CS..EExtended strand (participates in β ladder)trans-130.2152.3170.2-61.90000111.5A426 I428 M493 F502 V527 V529A426-V508 HydrophobicContact CB-CG1 4.06Å; A426-V508 WeakPolarHBondContact O-CA 3.19Å; I428-V508 HydrophobicContact CD1-CG2 4.31Å; M493-V508 HydrophobicContact CE-CG2 3.4Å; M493-V508 HydrophobicContact SD-CG2 3.91Å; F502-V508 HydrophobicContact CD1-CG1 4.12Å; F502-V508 HydrophobicContact CE1-CG1 4.25Å; F502-V508 HydrophobicContact CG-CG1 4.29Å; V508-V527 HydrophobicContact CG2-CG2 3.65Å; V508-V527 PolarHBondContact N-O 3.42Å; V508-V527 PolarHBondContact O-N 2.97Å; V508-V529 HydrophobicContact CB-CG2 4.47Å; V508-V529 HydrophobicContact CG1-CG2 3.63Å; V508-V529 HydrophobicContact CG2-CG2 4.03Å
509I98.5Very high92.4Very high0 Ų049 Ų490%030%0.297CS..EExtended strand (participates in β ladder)trans-100.6130.5176.3-46.3-60.6000108.6A415 A418 A424 A426 I427 I428 L511 M524 R525 V526A415-I509 HydrophobicContact CB-CG2 4.03Å; A418-I509 HydrophobicContact CB-CD1 4.09Å; A424-I509 HydrophobicContact CB-CD1 4.16Å; A424-I509 HydrophobicContact CB-CG1 3.87Å; A426-I509 PolarHBondContact O-N 3.43Å; I427-I509 CarbonylContact C-O 3.42Å; I427-I509 WeakPolarHBondContact CA-O 3.36Å; I427-I509 HydrophobicContact CG1-CB 4.27Å; I427-I509 HydrophobicContact CG1-CG1 4.41Å; I427-I509 HydrophobicContact CG2-CB 4.32Å; I428-I509 PolarHBondContact N-O 3.37Å; I509-L511 HydrophobicContact CG2-CD1 3.98Å; I509-M524 HydrophobicContact CG2-CG 3.86Å; I509-M524 HydrophobicContact CG2-SD 4.28Å; I509-R525 CarbonylContact C-O 3.45Å; I509-R525 WeakPolarHBondContact CA-O 3.36Å; I509-V526 HydrophobicContact CD1-CB 4.33Å; I509-V526 HydrophobicContact CD1-CG1 4.03Å; I509-V526 HydrophobicContact CD1-CG2 3.79Å
510I98.4Very high92.2Very high10 Ų1050.7 Ų50.75%0.05130%0.304CS..EExtended strand (participates in β ladder)trans-115.6126.9179-60.9166.3000109.9I428 V489 M493 T512 M524 R525 V527I428-I510 HydrophobicContact CB-CG1 4.33Å; I428-I510 HydrophobicContact CD1-CG1 4.48Å; I428-I510 CarbonylContact O-C 3.59Å; I428-I510 WeakPolarHBondContact O-CA 3.37Å; V489-I510 HydrophobicContact CG1-CD1 3.7Å; V489-I510 HydrophobicContact CG1-CG1 4.34Å; V489-I510 HydrophobicContact CG2-CG2 3.94Å; M493-I510 HydrophobicContact CE-CD1 3.83Å; M493-I510 HydrophobicContact CE-CG1 4.38Å; I510-T512 HydrophobicContact CG2-CG2 3.96Å; I510-M524 CarbonylContact O-C 3.58Å; I510-M524 WeakPolarHBondContact O-CA 3.43Å; I510-R525 HydrophobicContact CB-CB 4.48Å; I510-R525 PolarHBondContact N-O 3.48Å; I510-R525 PolarHBondContact O-N 2.62Å; I510-V527 HydrophobicContact CD1-CB 4.41Å; I510-V527 HydrophobicContact CD1-CG1 4.13Å; I510-V527 HydrophobicContact CD1-CG2 3.38Å; I510-V527 HydrophobicContact CG1-CG2 4.12Å
511L98.1Very high92.2Very high2 Ų249.3 Ų49.31%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-112124.8172.9-72.785.4000111.3I411 A415 I427 I428 V429 L430 L440 I509 T521 T523I411-L511 HydrophobicContact CG2-CD2 3.72Å; I411-L511 HydrophobicContact CG2-CG 4.39Å; A415-L511 HydrophobicContact CB-CD1 3.74Å; A415-L511 HydrophobicContact CB-CD2 4.08Å; A415-L511 HydrophobicContact CB-CG 4.28Å; I427-L511 HydrophobicContact CG2-CD1 3.5Å; I428-L511 PolarHBondContact O-N 3.27Å; V429-L511 HydrophobicContact CB-CB 4.27Å; V429-L511 HydrophobicContact CG2-CB 4.03Å; L430-L511 PolarHBondContact N-O 2.76Å; L440-L511 HydrophobicContact CD1-CD1 4.21Å; L440-L511 HydrophobicContact CD1-CD2 4.14Å; L440-L511 HydrophobicContact CD2-CD1 4.31Å; L440-L511 HydrophobicContact CD2-CD2 3.97Å; L440-L511 HydrophobicContact CG-CD2 4.33Å; I509-L511 HydrophobicContact CG2-CD1 3.98Å; L511-T521 HydrophobicContact CB-CG2 4.25Å; L511-T521 HydrophobicContact CD2-CG2 4.27Å; L511-T523 WeakPolarHBondContact CA-O 3.45Å
512T96.1Very high92.2Very high2 Ų251 Ų511%0.01230%0.297CS..EExtended strand (participates in β ladder)trans-133159.1178.651.50000110.6L430 V485 I510 N522 T523L430-T512 HydrophobicContact CD1-CG2 3.83Å; L430-T512 HydrophobicContact CG-CG2 4.09Å; V485-T512 HydrophobicContact CG1-CG2 3.6Å; I510-T512 HydrophobicContact CG2-CG2 3.96Å; T512-N522 PolarHBondContact O-N 3.45Å; T512-T523 PolarHBondContact N-O 2.63Å; T512-T523 PolarHBondContact O-N 2.65Å
513G91.1Very high92.2Very high14 Ų1452.2 Ų52.214%0.14431%0.305CS..EExtended strand (participates in β ladder)trans-81.3164.4167.500000111.2W481 Y520W481-G513 WeakPolarHBondContact CH2-O 3.42Å; W481-G513 WeakPolarHBondContact CZ2-O 3.24Å; G513-Y520 WeakPolarHBondContact CA-O 3.45Å
514W87.4Confident92.4Very high135 Ų13549.1 Ų49.151%0.51129%0.294SS..SBendtrans-85.3-15.8172.272.6-80.4000113.8W481 Y520 N522W481-W514 WeakPolarHBondContact CH2-O 3.42Å; W481-W514 WeakPolarHBondContact CZ3-O 3.38Å; W514-Y520 PolarHBondContact N-O 3.3Å; W514-N522 VanDerWaalsContact CB-OD1 3.31Å; W514-N522 WeakPolarHBondContact CB-OD1 3.34Å; W514-N522 PolarHBondContact N-OD1 2.98Å; W514-N522 VanDerWaalsContact N-OD1 3.16Å
515R87.5Confident92.5Very high99 Ų9949.8 Ų49.837%0.37429%0.289SS..SBendtrans-145.3161.9179.169172.2176.8-165.27.7112.1Y520R515-Y520 HydrophobicContact CG-CD2 3.65Å; R515-Y520 HydrophobicContact CG-CE2 4.25Å; R515-Y520 HydrophobicContact CG-CG 3.82Å; R515-Y520 VanDerWaalsContact NE-CE2 3.34Å; R515-Y520 VanDerWaalsContact NE-CZ 3.32Å; R515-Y520 PolarHBondContact NH2-OH 3.2Å
516P86.3Confident92.7Very high87 Ų8751.2 Ų51.257%0.56529%0.288SS*.SBendtrans-57.4151.3170.4-20.329.3000113W481W481-P516 HydrophobicContact CB-CG 4.25Å; W481-P516 HydrophobicContact CG-CG 3.83Å
517G82.4Confident92.8Very high68 Ų6851.5 Ų51.570%0.70129%0.291SS*.SBendtrans106179.8177.600000114.3
518S81.8Confident92.7Very high70 Ų7055.3 Ų55.349%0.4931%0.309SS..SBendtrans-91.9147.6-178.5-167.70000111.7Y520S518-Y520 WeakPolarHBondContact O-CD2 3.47Å; S518-Y520 WeakPolarHBondContact O-CE2 3.27Å
519G83.7Confident92.4Very high49 Ų4955.5 Ų55.551%0.50531%0.31SS..SBendtrans89.410.9171.400000116.4
520Y88.7Confident91.6Very high85 Ų8561.4 Ų61.433%0.33336%0.359SS..  trans-116.519.4-174.9-53.1-60000114.5G513 W514 R515 S518 N522G513-Y520 WeakPolarHBondContact CA-O 3.45Å; W514-Y520 PolarHBondContact N-O 3.3Å; R515-Y520 HydrophobicContact CG-CD2 3.65Å; R515-Y520 HydrophobicContact CG-CE2 4.25Å; R515-Y520 HydrophobicContact CG-CG 3.82Å; R515-Y520 VanDerWaalsContact NE-CE2 3.34Å; R515-Y520 VanDerWaalsContact NE-CZ 3.32Å; R515-Y520 PolarHBondContact NH2-OH 3.2Å; S518-Y520 WeakPolarHBondContact O-CD2 3.47Å; S518-Y520 WeakPolarHBondContact O-CE2 3.27Å; Y520-N522 PolarHBondContact O-N 2.86Å; Y520-N522 VanDerWaalsContact O-N 3.11Å; Y520-N522 PolarHBondContact O-OD1 3.11Å
521T93.1Very high91.2Very high12 Ų1264 Ų647%0.07437%0.374CS..EExtended strand (participates in β ladder)trans-63.4111.2177.4-59.40000110A408 S436 L511A408-T521 WeakPolarHBondContact CA-O 3.49Å; S436-T521 WeakPolarHBondContact CB-OG1 3.44Å; S436-T521 WeakPolarHBondContact OG-CB 3.35Å; S436-T521 PolarHBondContact OG-OG1 3.29Å; L511-T521 HydrophobicContact CB-CG2 4.25Å; L511-T521 HydrophobicContact CD2-CG2 4.27Å
522N93.9Very high90.8Very high60 Ų6067.2 Ų67.232%0.32139%0.393SS..EExtended strand (participates in β ladder)trans-154.712.9-177.171.3-14.8000114.8I411 T512 W514 Y520I411-N522 HydrophobicContact CD1-CB 3.91Å; I411-N522 WeakPolarHBondContact CD1-O 3.46Å; T512-N522 PolarHBondContact O-N 3.45Å; W514-N522 VanDerWaalsContact CB-OD1 3.31Å; W514-N522 WeakPolarHBondContact CB-OD1 3.34Å; W514-N522 PolarHBondContact N-OD1 2.98Å; W514-N522 VanDerWaalsContact N-OD1 3.16Å; Y520-N522 PolarHBondContact O-N 2.86Å; Y520-N522 VanDerWaalsContact O-N 3.11Å; Y520-N522 PolarHBondContact O-OD1 3.11Å
523T96.4Very high90.6Very high37 Ų3770.8 Ų70.823%0.22742%0.415CS..EExtended strand (participates in β ladder)trans-119.6126.4177.1-61.60000109.2L511 T512 R525L511-T523 WeakPolarHBondContact CA-O 3.45Å; T512-T523 PolarHBondContact N-O 2.63Å; T512-T523 PolarHBondContact O-N 2.65Å; T523-R525 HydrophobicContact CG2-CG 4.4Å
524M97.6Very high90.5Very high79 Ų7974.2 Ų74.239%0.38943%0.43SS..EExtended strand (participates in β ladder)trans-118.6133.5174.6-179-1757400109.4I411 A415 A418 I509 I510I411-M524 HydrophobicContact CG2-CB 4.34Å; A415-M524 WeakPolarHBondContact CA-SD 3.46Å; A415-M524 HydrophobicContact CB-CG 4.42Å; A415-M524 HydrophobicContact CB-SD 3.81Å; A418-M524 HydrophobicContact CB-SD 4.35Å; I509-M524 HydrophobicContact CG2-CG 3.86Å; I509-M524 HydrophobicContact CG2-SD 4.28Å; I510-M524 CarbonylContact O-C 3.58Å; I510-M524 WeakPolarHBondContact O-CA 3.43Å
525R97.7Very high90.7Very high114 Ų11470.4 Ų70.443%0.4343%0.425SS..EExtended strand (participates in β ladder)trans-128.5141.9172.8-57.9-179.6-173.4118.42109.6I509 I510 T523 V527I509-R525 CarbonylContact C-O 3.45Å; I509-R525 WeakPolarHBondContact CA-O 3.36Å; I510-R525 HydrophobicContact CB-CB 4.48Å; I510-R525 PolarHBondContact N-O 3.48Å; I510-R525 PolarHBondContact O-N 2.62Å; T523-R525 HydrophobicContact CG2-CG 4.4Å; R525-V527 HydrophobicContact CB-CG1 4.08Å
526V97.8Very high90.9Very high81 Ų8168.5 Ų68.549%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-105.7118.3168.8-174.10000106.4V507 I509V507-V526 HydrophobicContact CG1-CG1 3.48Å; V507-V526 VanDerWaalsContact CG1-CG1 3.48Å; I509-V526 HydrophobicContact CD1-CB 4.33Å; I509-V526 HydrophobicContact CD1-CG1 4.03Å; I509-V526 HydrophobicContact CD1-CG2 3.79Å
527V97Very high91.3Very high43 Ų4367.1 Ų67.126%0.26142%0.419SS..EExtended strand (participates in β ladder)trans-132.1157.4-175.3-54.60000110.8M493 V507 V508 I510 R525M493-V527 HydrophobicContact CE-CG2 3.89Å; V507-V527 WeakPolarHBondContact CA-O 3.45Å; V508-V527 HydrophobicContact CG2-CG2 3.65Å; V508-V527 PolarHBondContact N-O 3.42Å; V508-V527 PolarHBondContact O-N 2.97Å; I510-V527 HydrophobicContact CD1-CB 4.41Å; I510-V527 HydrophobicContact CD1-CG1 4.13Å; I510-V527 HydrophobicContact CD1-CG2 3.38Å; I510-V527 HydrophobicContact CG1-CG2 4.12Å; R525-V527 HydrophobicContact CB-CG1 4.08Å
528L95.2Very high92Very high114 Ų11467.1 Ų67.160%0.59740%0.397SS*.EExtended strand (participates in β ladder)trans-85.1142166.5-64.3171000109.1G505 D506 V507 A530G505-L528 WeakPolarHBondContact O-CD2 3.01Å; D506-L528 CarbonylContact O-C 3.57Å; D506-L528 WeakPolarHBondContact O-CA 3.29Å; V507-L528 HydrophobicContact CG2-CD2 3.77Å; L528-A530 PolarHBondContact O-N 3.22Å
529V92.1Very high92.8Very high4 Ų466.8 Ų66.82%0.02439%0.39CS..  trans-67.9119.9169.41790000107.7M493 K497 F502 K503 G505 D506 V508M493-V529 HydrophobicContact SD-CG2 4.13Å; K497-V529 HydrophobicContact CD-CG1 4.38Å; K497-V529 HydrophobicContact CG-CG1 4.4Å; F502-V529 HydrophobicContact CD2-CB 4.48Å; F502-V529 HydrophobicContact CD2-CG1 4.01Å; F502-V529 HydrophobicContact CD2-CG2 3.7Å; F502-V529 HydrophobicContact CE2-CG1 4.22Å; F502-V529 HydrophobicContact CE2-CG2 4.05Å; F502-V529 HydrophobicContact CG-CG2 4.31Å; K503-V529 WeakPolarHBondContact O-CB 3.42Å; G505-V529 PolarHBondContact N-O 3.2Å; D506-V529 HydrophobicContact CB-CG2 4.38Å; D506-V529 WeakPolarHBondContact O-CG2 3.28Å; D506-V529 PolarHBondContact O-N 2.84Å; V508-V529 HydrophobicContact CB-CG2 4.47Å; V508-V529 HydrophobicContact CG1-CG2 3.63Å; V508-V529 HydrophobicContact CG2-CG2 4.03Å
530A80.6Confident93.6Very high124 Ų12468.5 Ų68.5100%1.02538%0.379SS*.  trans-103.10177.900000111.2K497 L528K497-A530 PolarHBondContact NZ-O 2.67Å; L528-A530 PolarHBondContact O-N 3.22Å

Retrieved 530 of 530 residues in 132.5 ms (Link to these results)

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