A0A087YDZ4_POEFO Loading...

Speckle targeted PIP5K1A-regulated poly(A) polymerase

AlphaFold DB , UniProt , Accession A0A087YDZ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 777 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
1M37.9Very low69.5Low220 Ų22096.5 Ų96.5100%1.08457%0.574SS**  0148.30-66.8-178.6176.400108.3
2S38Very low69.6Low121 Ų121107.6 Ų107.685%0.84660%0.598SS**  trans-76.7135.4177-167.10000110.4D4S2-D4 PolarHBondContact O-N 3.41Å
3S56.2Low70.5Confident107 Ų107100.6 Ų100.675%0.74857%0.566SS**  trans-76.6115.8171.152.90000109.6S5S3-S5 PolarHBondContact O-N 3.43Å
4D70.1Confident71.6Confident43 Ų4395.9 Ų95.923%0.2354%0.536CS..  trans-58.4126173.5-175.4-54.7000110.2S2 D6 I7 V33 H38S2-D4 PolarHBondContact O-N 3.41Å; D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 WeakPolarHBondContact OD1-CB 3.45Å; D4-D6 PolarHBondContact OD1-N 3.08Å; D4-I7 HydrophobicContact CB-CG1 4.03Å; D4-I7 PolarHBondContact O-N 3.37Å; D4-I7 VanDerWaalsContact O-N 3.16Å; D4-V33 HydrophobicContact CB-CG1 4.2Å; D4-V33 HydrophobicContact CB-CG2 4.07Å; D4-V33 WeakPolarHBondContact OD2-CG1 3.37Å; D4-H38 IonicContact OD1-CE1 3.53Å; D4-H38 IonicContact OD1-NE2 3.6Å; D4-H38 IonicContact OD2-CD2 3.26Å; D4-H38 IonicContact OD2-CE1 2.73Å; D4-H38 IonicContact OD2-NE2 2.93Å; D4-H38 PolarHBondContact OD2-NE2 2.95Å
5S73.8Confident72.1Confident106 Ų10691 Ų9174%0.74151%0.511SS*.THydrogen-bonded Turntrans-70.6-10.4-170.453.20000114.5S3S3-S5 PolarHBondContact O-N 3.43Å
6D79Confident72.5Confident14 Ų1485.3 Ų85.38%0.07548%0.479CS..THydrogen-bonded Turntrans-86.1-14.2174.4-65.5-58.6000113.6D4 C16 K17 L18 H38 R45D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 WeakPolarHBondContact OD1-CB 3.45Å; D4-D6 PolarHBondContact OD1-N 3.08Å; D6-C16 WeakPolarHBondContact O-CA 3.38Å; D6-K17 PolarHBondContact O-N 2.99Å; D6-L18 HydrophobicContact CB-CB 3.89Å; D6-H38 IonicContact OD2-CE1 3.54Å; D6-R45 IonicContact OD1-CZ 2.65Å; D6-R45 IonicContact OD1-NH1 3.36Å; D6-R45 PolarHBondContact OD1-NH1 3.02Å; D6-R45 IonicContact OD2-CZ 2.69Å; D6-R45 IonicContact OD2-NH1 3.35Å; D6-R45 PolarHBondContact OD2-NH1 3.3Å; D6-R45 IonicContact OD2-NH2 3.34Å; D6-R45 PolarHBondContact OD2-NH2 3.05Å
7I86.3Confident72.6Confident33 Ų3387.6 Ų87.617%0.16948%0.482CS..EExtended strand (participates in β ladder)trans-87.2118.1-177.8-52.1-58.8000110.1D4 F14 C16 L23 V29 V33D4-I7 HydrophobicContact CB-CG1 4.03Å; D4-I7 PolarHBondContact O-N 3.37Å; D4-I7 VanDerWaalsContact O-N 3.16Å; I7-F14 HydrophobicContact CG2-CB 3.96Å; I7-F14 HydrophobicContact CG2-CD1 4.04Å; I7-F14 HydrophobicContact CG2-CG 4.33Å; I7-C16 HydrophobicContact CD1-CB 3.65Å; I7-L23 HydrophobicContact CD1-CD1 4.35Å; I7-V29 HydrophobicContact CB-CG1 4.49Å; I7-V29 HydrophobicContact CD1-CG1 4.12Å; I7-V29 HydrophobicContact CG1-CG1 3.91Å; I7-V29 HydrophobicContact CG2-CG1 3.91Å; I7-V29 HydrophobicContact CG2-CG2 4.21Å; I7-V33 HydrophobicContact CD1-CG2 3.89Å; I7-V33 HydrophobicContact CG1-CG2 4Å
8Q86Confident72.3Confident96 Ų9684.7 Ų84.745%0.44947%0.466SS..EExtended strand (participates in β ladder)trans-107.9132.8170.7-60.3-153.1-66.900111.3F14 C15 K17Q8-F14 CarbonylContact O-C 3.49Å; Q8-F14 WeakPolarHBondContact O-CA 3.48Å; Q8-C15 PolarHBondContact N-O 3.27Å; Q8-C15 PolarHBondContact O-N 3.27Å; Q8-K17 VanDerWaalsContact CD-CE 3.48Å; Q8-K17 HydrophobicContact CG-CD 4.04Å; Q8-K17 HydrophobicContact CG-CG 4.4Å; Q8-K17 VanDerWaalsContact NE2-NZ 3.16Å
9T86.3Confident71.8Confident114 Ų11480.6 Ų80.670%0.69944%0.444SS*.EExtended strand (participates in β ladder)trans-69.3140.6168.5-45.60000110.3F14T9-F14 HydrophobicContact CG2-CD1 4.32Å; T9-F14 HydrophobicContact CG2-CE1 3.98Å
10T79.6Confident71.7Confident59 Ų5983.2 Ų83.236%0.36246%0.457SS..EExtended strand (participates in β ladder)trans-134.2169.9-179.774.20000110R12 G13 C15T10-R12 PolarHBondContact O-N 3.36Å; T10-R12 VanDerWaalsContact O-N 3.08Å; T10-R12 PolarHBondContact OG1-N 3.29Å; T10-G13 CarbonylContact C-O 3.57Å; T10-G13 WeakPolarHBondContact CA-O 3.44Å; T10-G13 PolarHBondContact N-O 3.09Å; T10-G13 PolarHBondContact O-N 3.47Å; T10-G13 VanDerWaalsContact OG1-C 3.29Å; T10-G13 PolarHBondContact OG1-N 3.37Å; T10-G13 PolarHBondContact OG1-O 3.1Å; T10-C15 HydrophobicContact CG2-CB 3.91Å
11T71.1Confident71.6Confident149 Ų14981.4 Ų81.491%0.91445%0.449SS*.THydrogen-bonded Turntrans-69.5-0.7177.853.20000114.8
12R70.4Confident73.6Confident229 Ų22977.1 Ų77.186%0.86443%0.43SS*.THydrogen-bonded Turntrans-135.427.1179.3-61-170.4-179.3-167.30.4113.5T10T10-R12 PolarHBondContact O-N 3.36Å; T10-R12 VanDerWaalsContact O-N 3.08Å; T10-R12 PolarHBondContact OG1-N 3.29Å
13G82.5Confident75.7Confident17 Ų1772.2 Ų72.218%0.17539%0.394CS..EExtended strand (participates in β ladder)trans117-139.3-173.800000111.1T10T10-G13 CarbonylContact C-O 3.57Å; T10-G13 WeakPolarHBondContact CA-O 3.44Å; T10-G13 PolarHBondContact N-O 3.09Å; T10-G13 PolarHBondContact O-N 3.47Å; T10-G13 VanDerWaalsContact OG1-C 3.29Å; T10-G13 PolarHBondContact OG1-N 3.37Å; T10-G13 PolarHBondContact OG1-O 3.1Å
14F85.1Confident76.6Confident35 Ų3571.6 Ų71.615%0.15439%0.388CS..EExtended strand (participates in β ladder)trans-121.1161.6-174.5-55.7-90.3000111.5I7 Q8 T9 N22 L23 L26 V29I7-F14 HydrophobicContact CG2-CB 3.96Å; I7-F14 HydrophobicContact CG2-CD1 4.04Å; I7-F14 HydrophobicContact CG2-CG 4.33Å; Q8-F14 CarbonylContact O-C 3.49Å; Q8-F14 WeakPolarHBondContact O-CA 3.48Å; T9-F14 HydrophobicContact CG2-CD1 4.32Å; T9-F14 HydrophobicContact CG2-CE1 3.98Å; F14-N22 CarbonylContact O-C 3.56Å; F14-N22 WeakPolarHBondContact O-CA 3.38Å; F14-L23 HydrophobicContact CB-CB 4.35Å; F14-L23 PolarHBondContact N-O 2.75Å; F14-L23 PolarHBondContact O-N 3.19Å; F14-L26 HydrophobicContact CE2-CD1 4.29Å; F14-L26 HydrophobicContact CE2-CG 3.85Å; F14-L26 HydrophobicContact CZ-CD1 3.93Å; F14-L26 HydrophobicContact CZ-CD2 4.37Å; F14-L26 HydrophobicContact CZ-CG 3.71Å; F14-V29 HydrophobicContact CB-CG2 3.52Å; F14-V29 HydrophobicContact CD1-CG2 4.34Å; F14-V29 HydrophobicContact CD2-CG2 3.61Å; F14-V29 HydrophobicContact CE2-CG2 4.46Å; F14-V29 HydrophobicContact CG-CG2 3.56Å
15C79.9Confident77.3Confident22 Ų2273.2 Ų73.215%0.14940%0.396CS..EExtended strand (participates in β ladder)trans-135125.6173.31790000110Q8 T10 V21 N22Q8-C15 PolarHBondContact N-O 3.27Å; Q8-C15 PolarHBondContact O-N 3.27Å; T10-C15 HydrophobicContact CG2-CB 3.91Å; C15-V21 WeakPolarHBondContact CA-O 3.49Å; C15-N22 WeakPolarHBondContact CB-OD1 3.43Å; C15-N22 PolarHBondContact SG-OD1 2.76Å
16C78Confident77.7Confident0 Ų073.4 Ų73.40%039%0.388CS..EExtended strand (participates in β ladder)trans-86114.2170.3-179.70000109.8D6 I7 C19 N20 V21 L23 H32 H38D6-C16 WeakPolarHBondContact O-CA 3.38Å; I7-C16 HydrophobicContact CD1-CB 3.65Å; C16-C19 HydrophobicContact CB-CB 4.2Å; C16-C19 PolarHBondContact SG-N 3.43Å; C16-C19 VanDerWaalsContact SG-N 3.41Å; C16-N20 WeakPolarHBondContact O-CA 3.32Å; C16-N20 PolarHBondContact O-N 3.16Å; C16-V21 HydrophobicContact CB-CG2 4.22Å; C16-V21 PolarHBondContact N-O 3.38Å; C16-V21 PolarHBondContact O-N 3.36Å; C16-L23 HydrophobicContact CB-CD1 4.21Å; C16-H32 VanDerWaalsContact CB-NE2 3.31Å; C16-H32 WeakPolarHBondContact CB-NE2 3.14Å; C16-H32 PolarHBondContact SG-NE2 2.99Å; C16-H38 VanDerWaalsContact SG-CE1 3.56Å; C16-H38 PolarHBondContact SG-ND1 3.47Å; C16-H38 VanDerWaalsContact SG-ND1 3.4Å
17K74.3Confident77.7Confident124 Ų12476.8 Ų76.854%0.53941%0.413SS..THydrogen-bonded Turntrans-62.4-42.2176.8-84.5177.4151.8164.40113D6 Q8D6-K17 PolarHBondContact O-N 2.99Å; Q8-K17 VanDerWaalsContact CD-CE 3.48Å; Q8-K17 HydrophobicContact CG-CD 4.04Å; Q8-K17 HydrophobicContact CG-CG 4.4Å; Q8-K17 VanDerWaalsContact NE2-NZ 3.16Å
18L66.2Low77.3Confident35 Ų3576.6 Ų76.618%0.18342%0.415CS..THydrogen-bonded Turntrans-65.6-44.9-178.2-179.267.2000112.3D6 L41D6-L18 HydrophobicContact CB-CB 3.89Å; L18-L41 HydrophobicContact CD1-CB 4.2Å; L18-L41 HydrophobicContact CD2-CB 3.94Å; L18-L41 HydrophobicContact CG-CB 3.86Å
19C63.5Low76.9Confident8 Ų872.8 Ų72.85%0.05440%0.398CS..THydrogen-bonded Turntrans-88.7-10.3-179.4-73.40000114.3C16 V21 H32 K37C16-C19 HydrophobicContact CB-CB 4.2Å; C16-C19 PolarHBondContact SG-N 3.43Å; C16-C19 VanDerWaalsContact SG-N 3.41Å; C19-V21 HydrophobicContact CB-CG2 3.8Å; C19-H32 WeakPolarHBondContact CB-CE1 3.25Å; C19-H32 WeakPolarHBondContact CB-NE2 3.46Å; C19-H32 PolarHBondContact SG-CE1 3.04Å; C19-H32 PolarHBondContact SG-NE2 3.45Å; C19-K37 PolarHBondContact O-NZ 2.88Å
20N70.4Confident76.7Confident132 Ų13271.2 Ų71.271%0.70638%0.383SS*.THydrogen-bonded Turntrans46.557.9-171.5-166.222.1000113.4C16C16-N20 WeakPolarHBondContact O-CA 3.32Å; C16-N20 PolarHBondContact O-N 3.16Å
21V69.6Low76.6Confident46 Ų4675.5 Ų75.528%0.27940%0.398SS..EExtended strand (participates in β ladder)trans-137.2141.2179.7-70.40000111.9C15 C16 C19 L23 H32C15-V21 WeakPolarHBondContact CA-O 3.49Å; C16-V21 HydrophobicContact CB-CG2 4.22Å; C16-V21 PolarHBondContact N-O 3.38Å; C16-V21 PolarHBondContact O-N 3.36Å; C19-V21 HydrophobicContact CB-CG2 3.8Å; V21-L23 HydrophobicContact CG2-CD2 4.26Å; V21-L23 HydrophobicContact CG2-CG 4.46Å; V21-H32 VanDerWaalsContact CG2-CE1 3.43Å; V21-H32 WeakPolarHBondContact CG2-CE1 3.17Å
22N79.9Confident77.1Confident130 Ų13069.8 Ų69.870%0.69536%0.361SS*.EExtended strand (participates in β ladder)trans-87.2142.3171-60.8-41000110F14 C15F14-N22 CarbonylContact O-C 3.56Å; F14-N22 WeakPolarHBondContact O-CA 3.38Å; C15-N22 WeakPolarHBondContact CB-OD1 3.43Å; C15-N22 PolarHBondContact SG-OD1 2.76Å
23L80.8Confident77.6Confident18 Ų1860.6 Ų60.69%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-132.8119.5-169.7-59.8165.4000107.9I7 F14 C16 V21 N25 V29 H32I7-L23 HydrophobicContact CD1-CD1 4.35Å; F14-L23 HydrophobicContact CB-CB 4.35Å; F14-L23 PolarHBondContact N-O 2.75Å; F14-L23 PolarHBondContact O-N 3.19Å; C16-L23 HydrophobicContact CB-CD1 4.21Å; V21-L23 HydrophobicContact CG2-CD2 4.26Å; V21-L23 HydrophobicContact CG2-CG 4.46Å; L23-N25 PolarHBondContact O-N 3.15Å; L23-V29 HydrophobicContact CB-CG2 4.03Å; L23-V29 HydrophobicContact CD1-CG2 3.99Å; L23-H32 HydrophobicContact CD1-CB 3.84Å; L23-H32 HydrophobicContact CD2-CB 3.84Å
24P76.5Confident77.4Confident94 Ų9466 Ų6661%0.6135%0.35SS*.SBendtrans-72.5-24.2-163.926.9-35.4000114.6
25N83.9Confident76.5Confident76 Ų7665.5 Ų65.541%0.40635%0.354SS..SBendtrans-153.5172.3-17763.462.4000112L23 S27 S28 V29L23-N25 PolarHBondContact O-N 3.15Å; N25-S27 PolarHBondContact O-N 3.09Å; N25-S27 WeakPolarHBondContact OD1-CB 3.46Å; N25-S27 PolarHBondContact OD1-N 3.13Å; N25-S28 WeakPolarHBondContact O-CB 3.36Å; N25-S28 PolarHBondContact O-N 3.09Å; N25-S28 PolarHBondContact OD1-N 3.26Å; N25-S28 PolarHBondContact OD1-OG 2.95Å; N25-V29 PolarHBondContact O-N 3.43Å
26L81.5Confident75.3Confident111 Ų11172.3 Ų72.358%0.58138%0.376SS*.Hα-helixtrans-62.4-35.6-178.7-88.7136.2000114.1F14 S28 V29 E30F14-L26 HydrophobicContact CE2-CD1 4.29Å; F14-L26 HydrophobicContact CE2-CG 3.85Å; F14-L26 HydrophobicContact CZ-CD1 3.93Å; F14-L26 HydrophobicContact CZ-CD2 4.37Å; F14-L26 HydrophobicContact CZ-CG 3.71Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 3.37Å; L26-V29 WeakPolarHBondContact O-CA 3.37Å; L26-V29 WeakPolarHBondContact O-CB 3.4Å; L26-V29 PolarHBondContact O-N 3.42Å; L26-E30 PolarHBondContact O-N 2.95Å
27S80.3Confident74.1Confident84 Ų8475.9 Ų75.959%0.58739%0.392SS*.Hα-helixtrans-64-42.3175.8-177.30000111N25 V29 E30 Q31N25-S27 PolarHBondContact O-N 3.09Å; N25-S27 WeakPolarHBondContact OD1-CB 3.46Å; N25-S27 PolarHBondContact OD1-N 3.13Å; S27-V29 VanDerWaalsContact C-N 3.28Å; S27-V29 PolarHBondContact O-N 3.23Å; S27-E30 PolarHBondContact O-N 3.15Å; S27-Q31 WeakPolarHBondContact O-CB 3.13Å; S27-Q31 PolarHBondContact O-N 2.63Å
28S76.7Confident74Confident30 Ų3070.1 Ų70.121%0.2137%0.367CS..Hα-helixtrans-63-30.7170.9-53.30000113.1N25 L26 H32N25-S28 WeakPolarHBondContact O-CB 3.36Å; N25-S28 PolarHBondContact O-N 3.09Å; N25-S28 PolarHBondContact OD1-N 3.26Å; N25-S28 PolarHBondContact OD1-OG 2.95Å; L26-S28 VanDerWaalsContact C-N 3.35Å; L26-S28 PolarHBondContact O-N 3.37Å; S28-H32 WeakPolarHBondContact O-CB 3.36Å; S28-H32 PolarHBondContact O-N 2.82Å
29V78.4Confident74.4Confident15 Ų1573.8 Ų73.89%0.09138%0.383CS..Hα-helixtrans-68.7-47.7172.5171.90000111.1I7 F14 L23 N25 L26 S27 H32 V33I7-V29 HydrophobicContact CB-CG1 4.49Å; I7-V29 HydrophobicContact CD1-CG1 4.12Å; I7-V29 HydrophobicContact CG1-CG1 3.91Å; I7-V29 HydrophobicContact CG2-CG1 3.91Å; I7-V29 HydrophobicContact CG2-CG2 4.21Å; F14-V29 HydrophobicContact CB-CG2 3.52Å; F14-V29 HydrophobicContact CD1-CG2 4.34Å; F14-V29 HydrophobicContact CD2-CG2 3.61Å; F14-V29 HydrophobicContact CE2-CG2 4.46Å; F14-V29 HydrophobicContact CG-CG2 3.56Å; L23-V29 HydrophobicContact CB-CG2 4.03Å; L23-V29 HydrophobicContact CD1-CG2 3.99Å; N25-V29 PolarHBondContact O-N 3.43Å; L26-V29 WeakPolarHBondContact O-CA 3.37Å; L26-V29 WeakPolarHBondContact O-CB 3.4Å; L26-V29 PolarHBondContact O-N 3.42Å; S27-V29 VanDerWaalsContact C-N 3.28Å; S27-V29 PolarHBondContact O-N 3.23Å; V29-H32 WeakPolarHBondContact O-CB 3.5Å; V29-H32 PolarHBondContact O-N 3.18Å; V29-V33 HydrophobicContact CG1-CG2 4.26Å; V29-V33 WeakPolarHBondContact O-CB 3.5Å; V29-V33 WeakPolarHBondContact O-CG2 3.39Å; V29-V33 PolarHBondContact O-N 3.04Å
30E81.6Confident74.5Confident82 Ų8277.6 Ų77.638%0.38341%0.406SS..Hα-helixtrans-62.8-45.3179-74.4-165.7-143.900112.3L26 S27 H32 V33 K34L26-E30 PolarHBondContact O-N 2.95Å; S27-E30 PolarHBondContact O-N 3.15Å; E30-H32 VanDerWaalsContact C-N 3.28Å; E30-H32 PolarHBondContact O-N 3.05Å; E30-V33 PolarHBondContact O-N 3.28Å; E30-K34 VanDerWaalsContact O-CB 3.27Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CD 3.25Å; E30-K34 VanDerWaalsContact O-CG 3.22Å; E30-K34 WeakPolarHBondContact O-CG 3.29Å; E30-K34 PolarHBondContact O-N 3.36Å; E30-K34 IonicContact OE2-NZ 2.68Å; E30-K34 PolarHBondContact OE2-NZ 3Å
31Q78.8Confident73.8Confident148 Ų14872.6 Ų72.669%0.69238%0.379SS*.Hα-helixtrans-64.6-34.2175.5-166.7-177.720.200111.7S27 G35S27-Q31 WeakPolarHBondContact O-CB 3.13Å; S27-Q31 PolarHBondContact O-N 2.63Å; Q31-G35 WeakPolarHBondContact O-CA 3.35Å; Q31-G35 PolarHBondContact O-N 3.11Å
32H80.3Confident73.8Confident29 Ų2972 Ų7213%0.13438%0.377CS..Hα-helixtrans-68.1-48.6175.4178.467.2000112.5C16 C19 V21 L23 S28 V29 E30 K34 G35 H38C16-H32 VanDerWaalsContact CB-NE2 3.31Å; C16-H32 WeakPolarHBondContact CB-NE2 3.14Å; C16-H32 PolarHBondContact SG-NE2 2.99Å; C19-H32 WeakPolarHBondContact CB-CE1 3.25Å; C19-H32 WeakPolarHBondContact CB-NE2 3.46Å; C19-H32 PolarHBondContact SG-CE1 3.04Å; C19-H32 PolarHBondContact SG-NE2 3.45Å; V21-H32 VanDerWaalsContact CG2-CE1 3.43Å; V21-H32 WeakPolarHBondContact CG2-CE1 3.17Å; L23-H32 HydrophobicContact CD1-CB 3.84Å; L23-H32 HydrophobicContact CD2-CB 3.84Å; S28-H32 WeakPolarHBondContact O-CB 3.36Å; S28-H32 PolarHBondContact O-N 2.82Å; V29-H32 WeakPolarHBondContact O-CB 3.5Å; V29-H32 PolarHBondContact O-N 3.18Å; E30-H32 VanDerWaalsContact C-N 3.28Å; E30-H32 PolarHBondContact O-N 3.05Å; H32-K34 VanDerWaalsContact C-N 3.34Å; H32-K34 PolarHBondContact O-N 2.98Å; H32-G35 PolarHBondContact O-N 3.38Å; H32-H38 AromaticContact NE2-ND1 3.74Å; H32-H38 WeakPolarHBondContact O-CB 3.39Å
33V80.5Confident73.3Confident37 Ų3766.9 Ų66.922%0.22436%0.356CS..Hα-helixtrans-66.2-36.6-179.4170.30000111.4D4 I7 V29 E30 G35 H38D4-V33 HydrophobicContact CB-CG1 4.2Å; D4-V33 HydrophobicContact CB-CG2 4.07Å; D4-V33 WeakPolarHBondContact OD2-CG1 3.37Å; I7-V33 HydrophobicContact CD1-CG2 3.89Å; I7-V33 HydrophobicContact CG1-CG2 4Å; V29-V33 HydrophobicContact CG1-CG2 4.26Å; V29-V33 WeakPolarHBondContact O-CB 3.5Å; V29-V33 WeakPolarHBondContact O-CG2 3.39Å; V29-V33 PolarHBondContact O-N 3.04Å; E30-V33 PolarHBondContact O-N 3.28Å; V33-G35 VanDerWaalsContact C-N 3.26Å; V33-G35 PolarHBondContact O-N 2.8Å; V33-H38 PolarHBondContact O-CD2 3.36Å
34K79.5Confident72.3Confident131 Ų13169.3 Ų69.357%0.5737%0.371SS*.THydrogen-bonded Turntrans-77.4-7.4171.7-64.8164.2-177.2163.30113.2E30 H32 Q39E30-K34 VanDerWaalsContact O-CB 3.27Å; E30-K34 WeakPolarHBondContact O-CB 3.4Å; E30-K34 WeakPolarHBondContact O-CD 3.25Å; E30-K34 VanDerWaalsContact O-CG 3.22Å; E30-K34 WeakPolarHBondContact O-CG 3.29Å; E30-K34 PolarHBondContact O-N 3.36Å; E30-K34 IonicContact OE2-NZ 2.68Å; E30-K34 PolarHBondContact OE2-NZ 3Å; H32-K34 VanDerWaalsContact C-N 3.34Å; H32-K34 PolarHBondContact O-N 2.98Å; K34-Q39 PolarHBondContact O-NE2 2.92Å
35G65.9Low72.1Confident24 Ų2469 Ų6925%0.24736%0.358CS..SBendtrans-83.1141.9-174.400000113.2Q31 H32 V33 K37 H38 Q39Q31-G35 WeakPolarHBondContact O-CA 3.35Å; Q31-G35 PolarHBondContact O-N 3.11Å; H32-G35 PolarHBondContact O-N 3.38Å; V33-G35 VanDerWaalsContact C-N 3.26Å; V33-G35 PolarHBondContact O-N 2.8Å; G35-K37 VanDerWaalsContact C-N 3.26Å; G35-K37 PolarHBondContact O-N 2.91Å; G35-H38 PolarHBondContact O-N 3.11Å; G35-Q39 PolarHBondContact O-N 3.24Å; G35-Q39 VanDerWaalsContact O-N 3.14Å
36R54.9Low71.4Confident164 Ų16468.7 Ų68.762%0.61936%0.361SS*.Hα-helixtrans-43.9-47-175.6-64.1-173.3-170.8159.77.6112.6H38 Q39 T40 E193R36-H38 PolarHBondContact O-N 3.37Å; R36-Q39 PolarHBondContact O-N 3.46Å; R36-T40 WeakPolarHBondContact O-CB 3.48Å; R36-T40 PolarHBondContact O-N 3.48Å; R36-T40 PolarHBondContact O-OG1 3.2Å; R36-E193 IonicContact CZ-OE1 3.11Å; R36-E193 IonicContact CZ-OE2 3.81Å; R36-E193 IonicContact NH1-OE1 3.45Å; R36-E193 PolarHBondContact NH1-OE1 3.2Å; R36-E193 IonicContact NH1-OE2 3.97Å; R36-E193 PolarHBondContact NH1-OE2 2.7Å; R36-E193 IonicContact NH2-OE1 2.83Å; R36-E193 PolarHBondContact NH2-OE1 3.41Å; R36-E193 IonicContact NH2-OE2 2.74Å
37K52.2Low70.5Confident76 Ų7666.8 Ų66.833%0.3336%0.355SS..Hα-helixtrans-56.2-47.6178.5-177-173168.9-170.10114C19 G35 L41C19-K37 PolarHBondContact O-NZ 2.88Å; G35-K37 VanDerWaalsContact C-N 3.26Å; G35-K37 PolarHBondContact O-N 2.91Å; K37-L41 HydrophobicContact CG-CD1 4.09Å; K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 WeakPolarHBondContact O-CG 3.19Å; K37-L41 PolarHBondContact O-N 3.42Å
38H71.9Confident69.8Low3 Ų368.8 Ų68.81%0.01435%0.349CS..Hα-helixtrans-71.1-39.7-178.5-173.981.5000110.6D4 D6 C16 H32 V33 G35 R36 L41 S42D4-H38 IonicContact OD1-CE1 3.53Å; D4-H38 IonicContact OD1-NE2 3.6Å; D4-H38 IonicContact OD2-CD2 3.26Å; D4-H38 IonicContact OD2-CE1 2.73Å; D4-H38 IonicContact OD2-NE2 2.93Å; D4-H38 PolarHBondContact OD2-NE2 2.95Å; D6-H38 IonicContact OD2-CE1 3.54Å; C16-H38 VanDerWaalsContact SG-CE1 3.56Å; C16-H38 PolarHBondContact SG-ND1 3.47Å; C16-H38 VanDerWaalsContact SG-ND1 3.4Å; H32-H38 AromaticContact NE2-ND1 3.74Å; H32-H38 WeakPolarHBondContact O-CB 3.39Å; V33-H38 PolarHBondContact O-CD2 3.36Å; G35-H38 PolarHBondContact O-N 3.11Å; R36-H38 PolarHBondContact O-N 3.37Å; H38-L41 PolarHBondContact O-N 2.82Å; H38-S42 WeakPolarHBondContact O-CB 3.31Å; H38-S42 PolarHBondContact O-N 3.33Å
39Q75.1Confident69.3Low111 Ų11172.9 Ų72.952%0.51936%0.363SS..Hα-helixtrans-61.2-44.9173.7-66.8179.3-23.700112K34 G35 R36 S42 G43K34-Q39 PolarHBondContact O-NE2 2.92Å; G35-Q39 PolarHBondContact O-N 3.24Å; G35-Q39 VanDerWaalsContact O-N 3.14Å; R36-Q39 PolarHBondContact O-N 3.46Å; Q39-S42 PolarHBondContact O-N 3.4Å; Q39-G43 WeakPolarHBondContact O-CA 3.43Å; Q39-G43 PolarHBondContact O-N 2.83Å
40T65.4Low68.9Low88 Ų8874.4 Ų74.454%0.5437%0.374SS..Hα-helixtrans-65.5-43.6176.3-55.70000112.1R36 G43 V44R36-T40 WeakPolarHBondContact O-CB 3.48Å; R36-T40 PolarHBondContact O-N 3.48Å; R36-T40 PolarHBondContact O-OG1 3.2Å; T40-G43 PolarHBondContact O-N 2.7Å; T40-V44 HydrophobicContact CG2-CG2 4.48Å; T40-V44 WeakPolarHBondContact O-CB 3.22Å; T40-V44 WeakPolarHBondContact O-CG2 3.47Å; T40-V44 PolarHBondContact O-N 3.36Å
41L55.3Low68.2Low27 Ų2773.5 Ų73.514%0.14137%0.37CS..Hα-helixtrans-69.8-35.8178-72.8172.7000112.2L18 K37 H38 G43 R45L18-L41 HydrophobicContact CD1-CB 4.2Å; L18-L41 HydrophobicContact CD2-CB 3.94Å; L18-L41 HydrophobicContact CG-CB 3.86Å; K37-L41 HydrophobicContact CG-CD1 4.09Å; K37-L41 WeakPolarHBondContact O-CB 3.43Å; K37-L41 WeakPolarHBondContact O-CG 3.19Å; K37-L41 PolarHBondContact O-N 3.42Å; H38-L41 PolarHBondContact O-N 2.82Å; L41-G43 VanDerWaalsContact C-N 3.35Å; L41-R45 VanDerWaalsContact O-CB 3.31Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 PolarHBondContact O-N 2.57Å
42S70.3Confident67.7Low33 Ų3369 Ų6923%0.23135%0.349CS..Hα-helixtrans-72.1-34.9176.4-160.40000110.5H38 Q39 R45 S46H38-S42 WeakPolarHBondContact O-CB 3.31Å; H38-S42 PolarHBondContact O-N 3.33Å; Q39-S42 PolarHBondContact O-N 3.4Å; S42-R45 PolarHBondContact O-N 3.26Å; S42-R45 PolarHBondContact OG-NH2 3.01Å; S42-S46 WeakPolarHBondContact O-CB 3.19Å; S42-S46 PolarHBondContact O-N 3.14Å; S42-S46 PolarHBondContact O-OG 2.82Å
43G69.7Low67.5Low24 Ų2471.8 Ų71.825%0.24736%0.362CS..Hα-helixtrans-61.2-56.6168.500000112.6Q39 T40 L41 R45 S46 T47Q39-G43 WeakPolarHBondContact O-CA 3.43Å; Q39-G43 PolarHBondContact O-N 2.83Å; T40-G43 PolarHBondContact O-N 2.7Å; L41-G43 VanDerWaalsContact C-N 3.35Å; G43-R45 PolarHBondContact O-N 2.91Å; G43-R45 VanDerWaalsContact O-N 3.16Å; G43-S46 WeakPolarHBondContact CA-OG 3.26Å; G43-S46 CarbonylContact O-C 3.58Å; G43-S46 PolarHBondContact O-N 3.11Å; G43-S46 PolarHBondContact O-OG 3.14Å; G43-T47 WeakPolarHBondContact O-CB 3.32Å; G43-T47 PolarHBondContact O-N 3.5Å; G43-T47 PolarHBondContact O-OG1 3.11Å
44V59.9Low67.6Low69 Ų6972 Ų7242%0.41836%0.361SS..Hα-helixtrans-57.2-35.5176.8169.10000111.6T40 R48T40-V44 HydrophobicContact CG2-CG2 4.48Å; T40-V44 WeakPolarHBondContact O-CB 3.22Å; T40-V44 WeakPolarHBondContact O-CG2 3.47Å; T40-V44 PolarHBondContact O-N 3.36Å; V44-R48 WeakPolarHBondContact O-CB 3.33Å; V44-R48 WeakPolarHBondContact O-CG 3.23Å; V44-R48 PolarHBondContact O-N 2.83Å
45R71.6Confident67.8Low88 Ų8865.9 Ų65.933%0.33233%0.334SS..Hα-helixtrans-70-41.5172.1-177.8-175.759.8-173.2-9.4112.5D6 L41 S42 G43 R48 K49D6-R45 IonicContact OD1-CZ 2.65Å; D6-R45 IonicContact OD1-NH1 3.36Å; D6-R45 PolarHBondContact OD1-NH1 3.02Å; D6-R45 IonicContact OD2-CZ 2.69Å; D6-R45 IonicContact OD2-NH1 3.35Å; D6-R45 PolarHBondContact OD2-NH1 3.3Å; D6-R45 IonicContact OD2-NH2 3.34Å; D6-R45 PolarHBondContact OD2-NH2 3.05Å; L41-R45 VanDerWaalsContact O-CB 3.31Å; L41-R45 WeakPolarHBondContact O-CB 3.45Å; L41-R45 PolarHBondContact O-N 2.57Å; S42-R45 PolarHBondContact O-N 3.26Å; S42-R45 PolarHBondContact OG-NH2 3.01Å; G43-R45 PolarHBondContact O-N 2.91Å; G43-R45 VanDerWaalsContact O-N 3.16Å; R45-R48 PolarHBondContact O-N 3.48Å; R45-K49 VanDerWaalsContact O-CB 3.25Å; R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.98Å
46S68.8Low68.7Low68 Ų6864.8 Ų64.848%0.47632%0.323SS..Hα-helixtrans-71.4-36178.770.70000112S42 G43 K49 S50S42-S46 WeakPolarHBondContact O-CB 3.19Å; S42-S46 PolarHBondContact O-N 3.14Å; S42-S46 PolarHBondContact O-OG 2.82Å; G43-S46 WeakPolarHBondContact CA-OG 3.26Å; G43-S46 CarbonylContact O-C 3.58Å; G43-S46 PolarHBondContact O-N 3.11Å; G43-S46 PolarHBondContact O-OG 3.14Å; S46-K49 PolarHBondContact O-N 2.96Å; S46-S50 WeakPolarHBondContact O-CB 3.31Å; S46-S50 PolarHBondContact O-N 3.48Å
47T64.3Low70Confident72 Ų7260.2 Ų60.244%0.44231%0.308SS..Hα-helixtrans-62.6-46.4168.5-51.50000110.7G43 K49 S50 H51G43-T47 WeakPolarHBondContact O-CB 3.32Å; G43-T47 PolarHBondContact O-N 3.5Å; G43-T47 PolarHBondContact O-OG1 3.11Å; T47-K49 PolarHBondContact O-N 3.07Å; T47-S50 WeakPolarHBondContact O-CB 3.41Å; T47-S50 PolarHBondContact O-N 2.74Å; T47-H51 WeakPolarHBondContact CG2-NE2 3.37Å; T47-H51 WeakPolarHBondContact O-CB 3.21Å; T47-H51 PolarHBondContact O-CD2 3.39Å; T47-H51 PolarHBondContact O-N 2.73Å
48R64Low71.4Confident126 Ų12656.6 Ų56.648%0.47529%0.292SS..Hα-helixtrans-62.3-43.1174.3-80.7-178.8176.6-128.11.4112.7V44 R45 H51 E52V44-R48 WeakPolarHBondContact O-CB 3.33Å; V44-R48 WeakPolarHBondContact O-CG 3.23Å; V44-R48 PolarHBondContact O-N 2.83Å; R45-R48 PolarHBondContact O-N 3.48Å; R48-H51 CarbonylContact O-C 3.55Å; R48-H51 PolarHBondContact O-N 3.3Å; R48-E52 WeakPolarHBondContact O-CB 3.18Å; R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 3.11Å
49K67.8Low71.8Confident116 Ų11657.5 Ų57.550%0.50430%0.299SS..Hα-helixtrans-62.1-45.8176.1-173.3-169.9163.9-166.50110.6R45 S46 T47 H51 E52 E53R45-K49 VanDerWaalsContact O-CB 3.25Å; R45-K49 WeakPolarHBondContact O-CB 3.49Å; R45-K49 PolarHBondContact O-N 2.98Å; S46-K49 PolarHBondContact O-N 2.96Å; T47-K49 PolarHBondContact O-N 3.07Å; K49-H51 PolarHBondContact O-N 3.08Å; K49-E52 CarbonylContact O-C 3.51Å; K49-E52 WeakPolarHBondContact O-CB 3.5Å; K49-E52 PolarHBondContact O-N 3.08Å; K49-E52 VanDerWaalsContact O-N 3.11Å; K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 VanDerWaalsContact CE-OE2 3.26Å; K49-E53 WeakPolarHBondContact CE-OE2 3.35Å; K49-E53 IonicContact NZ-OE1 3.54Å; K49-E53 WeakPolarHBondContact O-CB 3.04Å; K49-E53 WeakPolarHBondContact O-CG 3.44Å; K49-E53 PolarHBondContact O-N 3.18Å
50S68.8Low71.8Confident46 Ų4654.3 Ų54.332%0.32230%0.295SS..Hα-helixtrans-55.7-49.6171.7166.90000110.6S46 T47 E52 E53 H54S46-S50 WeakPolarHBondContact O-CB 3.31Å; S46-S50 PolarHBondContact O-N 3.48Å; T47-S50 WeakPolarHBondContact O-CB 3.41Å; T47-S50 PolarHBondContact O-N 2.74Å; S50-E52 VanDerWaalsContact C-N 3.29Å; S50-E52 PolarHBondContact O-N 3.21Å; S50-E53 CarbonylContact O-C 3.55Å; S50-E53 PolarHBondContact O-N 2.66Å; S50-H54 WeakPolarHBondContact O-CA 3.33Å; S50-H54 WeakPolarHBondContact O-CB 3.37Å; S50-H54 PolarHBondContact O-N 2.68Å; S50-H54 PolarHBondContact O-ND1 3.14Å
51H67.9Low72.7Confident64 Ų6450.4 Ų50.430%0.29627%0.271SS..Hα-helixtrans-65.9-28177.6-68.8-148000112.6T47 R48 K49 S55 Q96 R124T47-H51 WeakPolarHBondContact CG2-NE2 3.37Å; T47-H51 WeakPolarHBondContact O-CB 3.21Å; T47-H51 PolarHBondContact O-CD2 3.39Å; T47-H51 PolarHBondContact O-N 2.73Å; R48-H51 CarbonylContact O-C 3.55Å; R48-H51 PolarHBondContact O-N 3.3Å; K49-H51 PolarHBondContact O-N 3.08Å; H51-S55 WeakPolarHBondContact O-CB 3.09Å; H51-S55 PolarHBondContact O-N 3.37Å; H51-S55 PolarHBondContact O-OG 2.97Å; H51-Q96 PolarHBondContact ND1-OE1 3.34Å; H51-Q96 VanDerWaalsContact ND1-OE1 3.14Å; H51-R124 PolarHBondContact O-NH1 3.45Å
52E67.1Low73.8Confident52 Ų5253.8 Ų53.824%0.24328%0.284CS..Hα-helixtrans-74.3-30.1171.3-76.2173.5-149.300112.9R48 K49 S50R48-E52 WeakPolarHBondContact O-CB 3.18Å; R48-E52 WeakPolarHBondContact O-CG 3.4Å; R48-E52 PolarHBondContact O-N 3.11Å; K49-E52 CarbonylContact O-C 3.51Å; K49-E52 WeakPolarHBondContact O-CB 3.5Å; K49-E52 PolarHBondContact O-N 3.08Å; K49-E52 VanDerWaalsContact O-N 3.11Å; S50-E52 VanDerWaalsContact C-N 3.29Å; S50-E52 PolarHBondContact O-N 3.21Å
53E76.1Confident74.2Confident88 Ų8857.1 Ų57.141%0.41131%0.305SS..Hα-helixtrans-88.1-21.1177-70.5170.915800112.7K49 S50 I103K49-E53 WeakPolarHBondContact CE-OE1 3.33Å; K49-E53 VanDerWaalsContact CE-OE2 3.26Å; K49-E53 WeakPolarHBondContact CE-OE2 3.35Å; K49-E53 IonicContact NZ-OE1 3.54Å; K49-E53 WeakPolarHBondContact O-CB 3.04Å; K49-E53 WeakPolarHBondContact O-CG 3.44Å; K49-E53 PolarHBondContact O-N 3.18Å; S50-E53 CarbonylContact O-C 3.55Å; S50-E53 PolarHBondContact O-N 2.66Å; E53-I103 WeakPolarHBondContact O-CD1 3.4Å
54H82.8Confident74.6Confident42 Ų4262.2 Ų62.219%0.19432%0.323CS..SBendtrans-114.614.7-174.4-65.172.3000114S50 Q96 F97 S100S50-H54 WeakPolarHBondContact O-CA 3.33Å; S50-H54 WeakPolarHBondContact O-CB 3.37Å; S50-H54 PolarHBondContact O-N 2.68Å; S50-H54 PolarHBondContact O-ND1 3.14Å; H54-Q96 CarbonylContact O-C 3.55Å; H54-Q96 WeakPolarHBondContact O-CA 3.25Å; H54-Q96 VanDerWaalsContact O-CG 3.3Å; H54-Q96 WeakPolarHBondContact O-CG 3.33Å; H54-F97 PolarHBondContact O-N 3.28Å; H54-S100 PolarHBondContact CE1-OG 3.32Å; H54-S100 PolarHBondContact NE2-OG 3.38Å
55S84.2Confident75.6Confident3 Ų359.2 Ų59.22%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-141.3151.2172.2670000115.8H51 V95 R124H51-S55 WeakPolarHBondContact O-CB 3.09Å; H51-S55 PolarHBondContact O-N 3.37Å; H51-S55 PolarHBondContact O-OG 2.97Å; S55-V95 CarbonylContact C-O 3.54Å; S55-V95 WeakPolarHBondContact CA-O 3.39Å; S55-V95 WeakPolarHBondContact CB-O 3.34Å; S55-R124 WeakPolarHBondContact OG-CD 3.3Å; S55-R124 PolarHBondContact OG-NH1 3.23Å
56V84.8Confident76.1Confident0 Ų057 Ų570%030%0.302CS..EExtended strand (participates in β ladder)trans-109.2149.7175-65.20000111.6V58 I94 V95 F97 I103 L107 V121V56-V58 HydrophobicContact CG2-CG2 4.12Å; V56-I94 WeakPolarHBondContact O-CA 3.37Å; V56-V95 HydrophobicContact CG2-CB 4.02Å; V56-V95 PolarHBondContact N-O 2.77Å; V56-V95 PolarHBondContact O-N 2.87Å; V56-F97 HydrophobicContact CG2-CE2 4Å; V56-I103 HydrophobicContact CG1-CB 4.45Å; V56-I103 HydrophobicContact CG1-CG1 4.21Å; V56-I103 HydrophobicContact CG1-CG2 3.83Å; V56-L107 HydrophobicContact CG1-CD2 4.26Å; V56-L107 HydrophobicContact CG1-CG 4.27Å; V56-V121 HydrophobicContact CB-CG1 3.7Å; V56-V121 HydrophobicContact CG1-CG1 4.09Å; V56-V121 HydrophobicContact CG2-CG1 3.78Å
57F82.1Confident76.8Confident69 Ų6956.5 Ų56.530%0.30330%0.299SS..EExtended strand (participates in β ladder)trans-93.6120.6171.7178.3-94.3000109.6Y92 I94 V121 K122F57-Y92 HydrophobicContact CD2-CD2 4.22Å; F57-Y92 AromaticContact CE2-CD2 3.41Å; F57-Y92 HydrophobicContact CE2-CD2 3.41Å; F57-Y92 VanDerWaalsContact CE2-CD2 3.41Å; F57-Y92 HydrophobicContact CE2-CE2 4.2Å; F57-Y92 AromaticContact CE2-CG 3.65Å; F57-Y92 HydrophobicContact CE2-CG 3.65Å; F57-Y92 HydrophobicContact CZ-CD2 4.07Å; F57-Y92 AromaticContact CZ-CG 3.8Å; F57-Y92 HydrophobicContact CZ-CG 3.8Å; F57-I94 HydrophobicContact CD2-CG1 4.46Å; F57-V121 CarbonylContact O-C 3.46Å; F57-V121 WeakPolarHBondContact O-CA 3.3Å; F57-K122 PolarHBondContact N-O 2.95Å; F57-K122 PolarHBondContact O-N 3.24Å
58V82.6Confident77.9Confident0 Ų056.9 Ų56.90%030%0.301CS..EExtended strand (participates in β ladder)trans-109.1129.2-177.6-172.70000108.8V56 I61 L70 F74 Y92 A93 V95 L119 V121V56-V58 HydrophobicContact CG2-CG2 4.12Å; V58-I61 HydrophobicContact CG1-CG2 4.39Å; V58-L70 HydrophobicContact CG1-CD2 4.41Å; V58-F74 HydrophobicContact CG1-CE2 4.04Å; V58-F74 HydrophobicContact CG1-CZ 4.05Å; V58-F74 HydrophobicContact CG2-CE2 3.81Å; V58-F74 HydrophobicContact CG2-CZ 3.77Å; V58-Y92 CarbonylContact O-C 3.59Å; V58-Y92 WeakPolarHBondContact O-CA 3.29Å; V58-Y92 VanDerWaalsContact O-CB 3.27Å; V58-Y92 WeakPolarHBondContact O-CB 3.29Å; V58-A93 PolarHBondContact N-O 3.35Å; V58-A93 PolarHBondContact O-N 3.36Å; V58-V95 HydrophobicContact CG2-CB 4.32Å; V58-V95 HydrophobicContact CG2-CG2 3.75Å; V58-L119 HydrophobicContact CG1-CB 4.25Å; V58-L119 HydrophobicContact CG1-CD1 3.98Å; V58-V121 HydrophobicContact CG1-CG2 4.27Å; V58-V121 HydrophobicContact CG2-CG2 4.22Å
59S80.3Confident79.1Confident22 Ų2252.7 Ų52.715%0.15429%0.288CS..EExtended strand (participates in β ladder)trans-137.6157.4-177.455.20000112.1R120S59-R120 PolarHBondContact N-O 3.34Å; S59-R120 PolarHBondContact O-N 3.09Å; S59-R120 WeakPolarHBondContact OG-CB 3.27Å; S59-R120 PolarHBondContact OG-O 3.37Å
60G75.1Confident80Confident43 Ų4347.2 Ų47.244%0.44326%0.264SS..SBendtrans87.710.3-173.400000114.2V91G60-V91 PolarHBondContact N-O 2.87Å
61I82.9Confident81Confident7 Ų746.8 Ų46.84%0.03626%0.26CS..  trans-66.8166.9161.560.7164.1000110.4V58 I65 L70 V85 G90 V91 Y92 A93 L119V58-I61 HydrophobicContact CG1-CG2 4.39Å; I61-I65 HydrophobicContact CB-CB 4.41Å; I61-I65 HydrophobicContact CB-CG1 4.42Å; I61-I65 HydrophobicContact CG2-CG2 4.45Å; I61-L70 HydrophobicContact CG2-CD1 4.48Å; I61-L70 HydrophobicContact CG2-CD2 4.02Å; I61-V85 HydrophobicContact CD1-CG1 3.97Å; I61-G90 WeakPolarHBondContact CG1-O 3.5Å; I61-V91 VanDerWaalsContact CG1-C 3.41Å; I61-Y92 VanDerWaalsContact CD1-C 3.49Å; I61-Y92 WeakPolarHBondContact CD1-O 3.49Å; I61-A93 HydrophobicContact CD1-CB 4.17Å; I61-L119 HydrophobicContact CG2-CD2 3.65Å
62K79.5Confident82.2Confident97 Ų9750.1 Ų50.142%0.42228%0.276SS..  trans-118160.2170.2-73.1179.6-177.3174.30109.4Q64 I65 G90 L117K62-Q64 HydrophobicContact CB-CG 3.86Å; K62-Q64 VanDerWaalsContact CD-OE1 3.24Å; K62-Q64 PolarHBondContact O-N 3.11Å; K62-I65 WeakPolarHBondContact O-CB 3.4Å; K62-I65 PolarHBondContact O-N 3.37Å; K62-G90 CarbonylContact C-O 3.56Å; K62-L117 HydrophobicContact CB-CD1 4Å; K62-L117 HydrophobicContact CD-CD1 4Å; K62-L117 HydrophobicContact CD-CD2 3.86Å; K62-L117 HydrophobicContact CG-CD1 3.82Å; K62-L117 HydrophobicContact CG-CD2 4.34Å
63P77.7Confident83.5Confident104 Ų10449.2 Ų49.268%0.67527%0.27SS*.THydrogen-bonded Turntrans-56.1-18.6178.6-26.333.4000116I65 K89P63-I65 VanDerWaalsContact C-N 3.34Å; P63-K89 WeakPolarHBondContact CG-O 3.4Å
64Q78.4Confident84.3Confident130 Ų13045 Ų4561%0.60725%0.251SS*.THydrogen-bonded Turntrans-79.6-9.6176.768.6-158.583.400114.4K62K62-Q64 HydrophobicContact CB-CG 3.86Å; K62-Q64 VanDerWaalsContact CD-OE1 3.24Å; K62-Q64 PolarHBondContact O-N 3.11Å
65I80.8Confident84.8Confident6 Ų648 Ų483%0.03126%0.264CS..  trans-88.6120.1177.1-56.1-59.6000108.1I61 K62 P63 D69 L70 L114 Q115 L117I61-I65 HydrophobicContact CB-CB 4.41Å; I61-I65 HydrophobicContact CB-CG1 4.42Å; I61-I65 HydrophobicContact CG2-CG2 4.45Å; K62-I65 WeakPolarHBondContact O-CB 3.4Å; K62-I65 PolarHBondContact O-N 3.37Å; P63-I65 VanDerWaalsContact C-N 3.34Å; I65-D69 HydrophobicContact CG2-CB 3.9Å; I65-L70 HydrophobicContact CG2-CD1 4.17Å; I65-L70 HydrophobicContact CG2-CD2 4.31Å; I65-L70 HydrophobicContact CG2-CG 3.85Å; I65-L114 HydrophobicContact CG2-CD2 3.9Å; I65-Q115 HydrophobicContact CD1-CB 4.14Å; I65-Q115 HydrophobicContact CD1-CG 4.09Å; I65-Q115 VanDerWaalsContact CD1-OE1 3.28Å; I65-L117 HydrophobicContact CD1-CD1 3.92Å; I65-L117 HydrophobicContact CG1-CD1 3.81Å
66S82.8Confident85.2Confident41 Ų4153.9 Ų53.929%0.28729%0.292SS..  trans-79.3167.3179690000112.4T68 D69 L70S66-T68 WeakPolarHBondContact CB-OG1 3.3Å; S66-T68 PolarHBondContact O-N 2.68Å; S66-T68 PolarHBondContact OG-N 3.39Å; S66-T68 PolarHBondContact OG-OG1 3.01Å; S66-D69 VanDerWaalsContact CB-OD2 3.3Å; S66-D69 WeakPolarHBondContact CB-OD2 3.46Å; S66-D69 PolarHBondContact N-OD2 3.18Å; S66-D69 VanDerWaalsContact OG-CG 3.25Å; S66-D69 PolarHBondContact OG-N 2.9Å; S66-D69 PolarHBondContact OG-OD2 2.86Å; S66-L70 PolarHBondContact O-N 3.27Å
67S83.2Confident85.6Confident58 Ų5855.5 Ų55.541%0.40630%0.299SS..Hα-helixtrans-62.5-34.8167.748.60000111.7L70 T71S67-L70 WeakPolarHBondContact O-CB 3.47Å; S67-L70 PolarHBondContact O-N 2.79Å; S67-T71 PolarHBondContact O-N 2.98Å; S67-T71 PolarHBondContact O-OG1 3.24Å; S67-T71 VanDerWaalsContact O-OG1 3.07Å
68T88Confident85.9Confident81 Ų8153.3 Ų53.350%0.49730%0.296SS..Hα-helixtrans-63.3-46.3175.522.20000112.8S66 L70 T71 E72S66-T68 WeakPolarHBondContact CB-OG1 3.3Å; S66-T68 PolarHBondContact O-N 2.68Å; S66-T68 PolarHBondContact OG-N 3.39Å; S66-T68 PolarHBondContact OG-OG1 3.01Å; T68-L70 PolarHBondContact O-N 2.8Å; T68-L70 VanDerWaalsContact O-N 3.17Å; T68-T71 PolarHBondContact O-N 3.25Å; T68-T71 VanDerWaalsContact O-N 3.12Å; T68-E72 WeakPolarHBondContact O-CG 3.29Å; T68-E72 PolarHBondContact O-N 2.75Å
69D88.3Confident86.3Confident38 Ų3856.1 Ų56.120%0.20332%0.319CS..Hα-helixtrans-56-34.7174.1-68.7-74000112.1I65 S66 Y73 L114 Q115I65-D69 HydrophobicContact CG2-CB 3.9Å; S66-D69 VanDerWaalsContact CB-OD2 3.3Å; S66-D69 WeakPolarHBondContact CB-OD2 3.46Å; S66-D69 PolarHBondContact N-OD2 3.18Å; S66-D69 VanDerWaalsContact OG-CG 3.25Å; S66-D69 PolarHBondContact OG-N 2.9Å; S66-D69 PolarHBondContact OG-OD2 2.86Å; D69-Y73 WeakPolarHBondContact O-CB 3.29Å; D69-Y73 PolarHBondContact O-N 3.43Å; D69-L114 HydrophobicContact CB-CD2 4.3Å; D69-Q115 VanDerWaalsContact CG-NE2 3.32Å; D69-Q115 PolarHBondContact OD1-NE2 2.72Å
70L87.1Confident86.8Confident0 Ų056.1 Ų56.10%032%0.318CS..Hα-helixtrans-78.6-40178.7-73.1163.5000111.7V58 I61 I65 S66 S67 T68 Y73 F74 V83 V85 A93 L114 L119V58-L70 HydrophobicContact CG1-CD2 4.41Å; I61-L70 HydrophobicContact CG2-CD1 4.48Å; I61-L70 HydrophobicContact CG2-CD2 4.02Å; I65-L70 HydrophobicContact CG2-CD1 4.17Å; I65-L70 HydrophobicContact CG2-CD2 4.31Å; I65-L70 HydrophobicContact CG2-CG 3.85Å; S66-L70 PolarHBondContact O-N 3.27Å; S67-L70 WeakPolarHBondContact O-CB 3.47Å; S67-L70 PolarHBondContact O-N 2.79Å; T68-L70 PolarHBondContact O-N 2.8Å; T68-L70 VanDerWaalsContact O-N 3.17Å; L70-Y73 PolarHBondContact O-N 3.38Å; L70-F74 HydrophobicContact CD2-CD2 4.34Å; L70-F74 HydrophobicContact CD2-CE2 3.91Å; L70-F74 WeakPolarHBondContact O-CB 3.32Å; L70-F74 VanDerWaalsContact O-CD2 3.26Å; L70-F74 WeakPolarHBondContact O-CD2 3.3Å; L70-F74 PolarHBondContact O-N 2.93Å; L70-V83 HydrophobicContact CB-CG1 3.83Å; L70-V83 HydrophobicContact CD1-CG1 4.13Å; L70-V85 HydrophobicContact CD1-CG2 3.91Å; L70-A93 HydrophobicContact CD1-CB 3.71Å; L70-L114 HydrophobicContact CD2-CD2 3.75Å; L70-L114 HydrophobicContact CG-CD2 4.22Å; L70-L119 HydrophobicContact CD2-CD1 4.29Å
71T90.7Very high87.4Confident37 Ų3757 Ų5723%0.22732%0.317CS..Hα-helixtrans-58.3-58.1173.2-58.40000110.4S67 T68 Y73 F74 E75 V80 V83S67-T71 PolarHBondContact O-N 2.98Å; S67-T71 PolarHBondContact O-OG1 3.24Å; S67-T71 VanDerWaalsContact O-OG1 3.07Å; T68-T71 PolarHBondContact O-N 3.25Å; T68-T71 VanDerWaalsContact O-N 3.12Å; T71-Y73 VanDerWaalsContact C-N 3.26Å; T71-Y73 PolarHBondContact O-N 3.5Å; T71-F74 PolarHBondContact O-N 2.94Å; T71-E75 HydrophobicContact CG2-CG 4.32Å; T71-E75 WeakPolarHBondContact CG2-OE1 3.48Å; T71-E75 WeakPolarHBondContact O-CG 3.42Å; T71-E75 PolarHBondContact O-N 3.28Å; T71-V80 HydrophobicContact CG2-CB 4.17Å; T71-V80 HydrophobicContact CG2-CG1 4.14Å; T71-V83 WeakPolarHBondContact OG1-CG2 3.26Å
72E92.6Very high87.2Confident135 Ų13560.4 Ų60.463%0.63134%0.336SS*.Hα-helixtrans-56.5-39.4-179.8-68.1172.2-155.100111.9T68T68-E72 WeakPolarHBondContact O-CG 3.29Å; T68-E72 PolarHBondContact O-N 2.75Å
73Y93.8Very high87.4Confident32 Ų3256.5 Ų56.513%0.12532%0.32CS..Hα-helixtrans-70.3-38.1176.7179.8-99.2000113.4D69 L70 T71 Q76 F77 H112 R113 L114 L119D69-Y73 WeakPolarHBondContact O-CB 3.29Å; D69-Y73 PolarHBondContact O-N 3.43Å; L70-Y73 PolarHBondContact O-N 3.38Å; T71-Y73 VanDerWaalsContact C-N 3.26Å; T71-Y73 PolarHBondContact O-N 3.5Å; Y73-Q76 WeakPolarHBondContact O-CG 3.39Å; Y73-Q76 PolarHBondContact O-NE2 2.84Å; Y73-F77 HydrophobicContact CE1-CE2 4.17Å; Y73-H112 HydrophobicContact CE1-CB 4.23Å; Y73-H112 AromaticContact CE1-ND1 3.74Å; Y73-H112 AromaticContact CZ-ND1 3.94Å; Y73-H112 WeakPolarHBondContact OH-CA 3.42Å; Y73-H112 WeakPolarHBondContact OH-CB 3.36Å; Y73-H112 PolarHBondContact OH-ND1 2.83Å; Y73-R113 WeakPolarHBondContact CE2-O 3.46Å; Y73-R113 PolarHBondContact OH-N 3.23Å; Y73-L114 HydrophobicContact CD2-CB 4.34Å; Y73-L114 HydrophobicContact CD2-CD1 4.04Å; Y73-L114 HydrophobicContact CG-CB 4.32Å; Y73-L114 HydrophobicContact CG-CD1 4.04Å; Y73-L114 HydrophobicContact CG-CD2 4.27Å; Y73-L114 HydrophobicContact CG-CG 4.44Å; Y73-L119 HydrophobicContact CD1-CD1 4.34Å; Y73-L119 HydrophobicContact CE1-CD1 4.25Å
74F93.3Very high87.2Confident0 Ų055.5 Ų55.50%031%0.308CS..Hα-helixtrans-86.2-20.1-176.8-79.6-72.4000114V58 L70 T71 Q76 F77 V80 V95 F97 H112 L119 V121V58-F74 HydrophobicContact CG1-CE2 4.04Å; V58-F74 HydrophobicContact CG1-CZ 4.05Å; V58-F74 HydrophobicContact CG2-CE2 3.81Å; V58-F74 HydrophobicContact CG2-CZ 3.77Å; L70-F74 HydrophobicContact CD2-CD2 4.34Å; L70-F74 HydrophobicContact CD2-CE2 3.91Å; L70-F74 WeakPolarHBondContact O-CB 3.32Å; L70-F74 VanDerWaalsContact O-CD2 3.26Å; L70-F74 WeakPolarHBondContact O-CD2 3.3Å; L70-F74 PolarHBondContact O-N 2.93Å; T71-F74 PolarHBondContact O-N 2.94Å; F74-Q76 PolarHBondContact O-N 2.79Å; F74-Q76 VanDerWaalsContact O-N 3.12Å; F74-F77 AromaticContact CD1-CD2 3.79Å; F74-F77 HydrophobicContact CD1-CD2 3.79Å; F74-F77 HydrophobicContact CD1-CE2 4.03Å; F74-F77 HydrophobicContact CE1-CD2 4.42Å; F74-F77 HydrophobicContact CE1-CE2 4.29Å; F74-F77 PolarHBondContact O-N 3.06Å; F74-V80 HydrophobicContact CB-CG2 3.78Å; F74-V95 HydrophobicContact CB-CG1 3.82Å; F74-V95 HydrophobicContact CD2-CB 4.41Å; F74-V95 HydrophobicContact CD2-CG1 4.19Å; F74-V95 HydrophobicContact CD2-CG2 3.71Å; F74-V95 HydrophobicContact CE2-CG2 4.05Å; F74-V95 HydrophobicContact CG-CG1 3.98Å; F74-V95 HydrophobicContact CG-CG2 4.32Å; F74-F97 HydrophobicContact CB-CE1 4.27Å; F74-F97 HydrophobicContact CB-CZ 4.07Å; F74-F97 HydrophobicContact CD1-CZ 4.07Å; F74-F97 HydrophobicContact CG-CZ 4.43Å; F74-F97 WeakPolarHBondContact O-CE1 3.43Å; F74-H112 AromaticContact CE1-CE1 3.95Å; F74-L119 HydrophobicContact CE2-CD1 4.27Å; F74-L119 HydrophobicContact CZ-CD1 4.32Å; F74-V121 HydrophobicContact CE1-CG2 3.84Å; F74-V121 HydrophobicContact CZ-CG2 3.6Å
75E93.9Very high87.1Confident104 Ų10451 Ų5149%0.48629%0.29SS..G310 helixtrans-56.1-26.5173.3-82.2179.1175.900113.6T71 F77 G78 V80T71-E75 HydrophobicContact CG2-CG 4.32Å; T71-E75 WeakPolarHBondContact CG2-OE1 3.48Å; T71-E75 WeakPolarHBondContact O-CG 3.42Å; T71-E75 PolarHBondContact O-N 3.28Å; E75-F77 PolarHBondContact O-N 3.46Å; E75-F77 VanDerWaalsContact O-N 3.11Å; E75-G78 WeakPolarHBondContact CA-O 3.43Å; E75-G78 PolarHBondContact O-N 3.07Å; E75-V80 HydrophobicContact CG-CB 4.16Å; E75-V80 HydrophobicContact CG-CG2 3.95Å
76Q92.3Very high86.3Confident128 Ų12851.6 Ų51.660%0.59829%0.293SS*.G310 helixtrans-62.2-17.4174.484.2-171.8-73.100114Y73 F74Y73-Q76 WeakPolarHBondContact O-CG 3.39Å; Y73-Q76 PolarHBondContact O-NE2 2.84Å; F74-Q76 PolarHBondContact O-N 2.79Å; F74-Q76 VanDerWaalsContact O-N 3.12Å
77F91.8Very high84.7Confident33 Ų3358.7 Ų58.715%0.14532%0.318CS..G310 helixtrans-98.5-4.5175.2-55.4-76.9000112.5Y73 F74 E75 F97 S102 A105 A106 C109 H112Y73-F77 HydrophobicContact CE1-CE2 4.17Å; F74-F77 AromaticContact CD1-CD2 3.79Å; F74-F77 HydrophobicContact CD1-CD2 3.79Å; F74-F77 HydrophobicContact CD1-CE2 4.03Å; F74-F77 HydrophobicContact CE1-CD2 4.42Å; F74-F77 HydrophobicContact CE1-CE2 4.29Å; F74-F77 PolarHBondContact O-N 3.06Å; E75-F77 PolarHBondContact O-N 3.46Å; E75-F77 VanDerWaalsContact O-N 3.11Å; F77-F97 HydrophobicContact CB-CE1 4.24Å; F77-F97 HydrophobicContact CB-CZ 4.31Å; F77-S102 WeakPolarHBondContact O-CA 3.13Å; F77-S102 WeakPolarHBondContact O-CB 3.38Å; F77-S102 PolarHBondContact O-OG 3.36Å; F77-A105 HydrophobicContact CB-CB 4.24Å; F77-A105 HydrophobicContact CD1-CB 4.31Å; F77-A106 HydrophobicContact CB-CB 4.17Å; F77-A106 HydrophobicContact CD1-CB 4.4Å; F77-A106 HydrophobicContact CD2-CB 4.33Å; F77-A106 HydrophobicContact CG-CB 4.04Å; F77-C109 HydrophobicContact CE1-CB 3.86Å; F77-C109 HydrophobicContact CZ-CB 4.1Å; F77-H112 AromaticContact CE2-CE1 3.83Å; F77-H112 AromaticContact CE2-ND1 3.85Å; F77-H112 AromaticContact CZ-CE1 3.63Å; F77-H112 AromaticContact CZ-ND1 3.69Å
78G90.2Very high83.1Confident24 Ų2463 Ų6325%0.24734%0.337CS..SBendtrans130.6164.9-176.900000112.3E75 V80 F97E75-G78 WeakPolarHBondContact CA-O 3.43Å; E75-G78 PolarHBondContact O-N 3.07Å; G78-V80 PolarHBondContact O-N 3.21Å; G78-F97 WeakPolarHBondContact O-CD1 3.1Å
79A90.8Very high81.4Confident58 Ų5866.1 Ų66.148%0.47934%0.344SS..  trans-57124.1-170.600000112.8F97 S98A79-F97 CarbonylContact O-C 3.46Å; A79-F97 WeakPolarHBondContact O-CA 3.39Å; A79-S98 PolarHBondContact O-N 2.93Å; A79-S98 PolarHBondContact O-OG 3.28Å
80V90.6Very high80.2Confident22 Ų2264.7 Ų64.713%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-86.2133.9176.81750000109.2T71 F74 E75 G78 V83 V95 F97T71-V80 HydrophobicContact CG2-CB 4.17Å; T71-V80 HydrophobicContact CG2-CG1 4.14Å; F74-V80 HydrophobicContact CB-CG2 3.78Å; E75-V80 HydrophobicContact CG-CB 4.16Å; E75-V80 HydrophobicContact CG-CG2 3.95Å; G78-V80 PolarHBondContact O-N 3.21Å; V80-V83 HydrophobicContact CG1-CG2 3.57Å; V80-V95 HydrophobicContact CG1-CG1 4.09Å; V80-V95 HydrophobicContact CG2-CG1 4.21Å; V80-F97 HydrophobicContact CG2-CD1 4.16Å; V80-F97 HydrophobicContact CG2-CE1 3.95Å
81S86.5Confident79.1Confident61 Ų6168.1 Ų68.143%0.42736%0.358SS..EExtended strand (participates in β ladder)trans-107.5-27.8-176.858.90000114.1Q96 F97S81-Q96 PolarHBondContact N-O 3.43Å; S81-Q96 WeakPolarHBondContact OG-CG 3.27Å; S81-Q96 PolarHBondContact OG-O 2.82Å; S81-F97 VanDerWaalsContact OG-C 3.25Å; S81-F97 PolarHBondContact OG-O 2.73Å
82D79.8Confident78.4Confident79 Ų7970.3 Ų70.342%0.42236%0.363SS..EExtended strand (participates in β ladder)trans-158.8152.2171.4-171.417.4000111.2I84 Q96D82-I84 WeakPolarHBondContact OD2-CG1 3.25Å; D82-Q96 HydrophobicContact CB-CB 4.19Å; D82-Q96 PolarHBondContact N-O 2.71Å; D82-Q96 PolarHBondContact O-N 3.42Å
83V82.5Confident77.7Confident16 Ų1663.9 Ų63.910%0.09733%0.333CS..EExtended strand (participates in β ladder)trans-135.4108.2175-179.10000110.9L70 T71 V80 V85 I94 V95L70-V83 HydrophobicContact CB-CG1 3.83Å; L70-V83 HydrophobicContact CD1-CG1 4.13Å; T71-V83 WeakPolarHBondContact OG1-CG2 3.26Å; V80-V83 HydrophobicContact CG1-CG2 3.57Å; V83-V85 HydrophobicContact CG1-CG2 4.25Å; V83-I94 WeakPolarHBondContact CA-O 3.2Å; V83-V95 HydrophobicContact CG1-CG2 4.23Å; V83-V95 HydrophobicContact CG2-CG1 4.37Å; V83-V95 HydrophobicContact CG2-CG2 4.26Å
84I74.9Confident77.1Confident83 Ų8364 Ų6443%0.42634%0.336SS..EExtended strand (participates in β ladder)trans-103.5104.3-177.5-52.1175.7000109.7D82 A93 I94D82-I84 WeakPolarHBondContact OD2-CG1 3.25Å; I84-A93 CarbonylContact O-C 3.57Å; I84-A93 VanDerWaalsContact O-CA 3.23Å; I84-A93 WeakPolarHBondContact O-CA 3.39Å; I84-I94 HydrophobicContact CB-CB 4.43Å; I84-I94 PolarHBondContact N-O 3.43Å; I84-I94 PolarHBondContact O-N 3.46Å
85V76.6Confident76.7Confident36 Ų3664 Ų6422%0.21834%0.336CS..EExtended strand (participates in β ladder)trans-87.3144.8177.1-173.90000111.6I61 L70 V83 K87 A93I61-V85 HydrophobicContact CD1-CG1 3.97Å; L70-V85 HydrophobicContact CD1-CG2 3.91Å; V83-V85 HydrophobicContact CG1-CG2 4.25Å; V85-K87 PolarHBondContact O-N 3.49Å; V85-A93 HydrophobicContact CG2-CB 4.14Å
86D62Low76.4Confident17 Ų1760.3 Ų60.39%0.09132%0.318CS..  trans-60.9109.6175.2178.550.9000112.8D88 K89 G90 Y92D86-D88 VanDerWaalsContact C-N 3.34Å; D86-D88 PolarHBondContact O-N 3.03Å; D86-K89 WeakPolarHBondContact OD2-CA 3.47Å; D86-K89 WeakPolarHBondContact OD2-CB 3.45Å; D86-K89 PolarHBondContact OD2-N 3.36Å; D86-G90 WeakPolarHBondContact O-CA 3.21Å; D86-G90 PolarHBondContact O-N 2.9Å; D86-G90 PolarHBondContact OD2-N 3.41Å; D86-G90 VanDerWaalsContact OD2-N 3.14Å; D86-Y92 HydrophobicContact CB-CD1 3.69Å; D86-Y92 HydrophobicContact CB-CD2 4.19Å; D86-Y92 HydrophobicContact CB-CE1 3.41Å; D86-Y92 VanDerWaalsContact CB-CE1 3.41Å; D86-Y92 HydrophobicContact CB-CE2 3.96Å; D86-Y92 HydrophobicContact CB-CG 4.04Å; D86-Y92 WeakPolarHBondContact CB-O 3.44Å; D86-Y92 PolarHBondContact N-O 3.09Å; D86-Y92 WeakPolarHBondContact OD1-CE1 3.5Å; D86-Y92 PolarHBondContact OD1-OH 2.81Å
87K50Low76.3Confident190 Ų19054.3 Ų54.383%0.82629%0.29SS*.THydrogen-bonded Turntrans-71.9-23.6-173.7-63.4-166.2173.8-163.70114.8V85V85-K87 PolarHBondContact O-N 3.49Å
88D49.6Very low76Confident149 Ų14956 Ų5680%0.79731%0.306SS*.THydrogen-bonded Turntrans-88.6-31.4-173.7-68.8-14.9000112.7D86D86-D88 VanDerWaalsContact C-N 3.34Å; D86-D88 PolarHBondContact O-N 3.03Å
89K53.3Low75.8Confident147 Ų14760.6 Ų60.664%0.63932%0.321SS*.THydrogen-bonded Turntrans-140.9-10.9-174.2-56.4178.5-176.3173.40115.2P63 D86 V91P63-K89 WeakPolarHBondContact CG-O 3.4Å; D86-K89 WeakPolarHBondContact OD2-CA 3.47Å; D86-K89 WeakPolarHBondContact OD2-CB 3.45Å; D86-K89 PolarHBondContact OD2-N 3.36Å; K89-V91 VanDerWaalsContact C-N 3.28Å; K89-V91 HydrophobicContact CB-CG1 4.13Å; K89-V91 HydrophobicContact CB-CG2 4.15Å; K89-V91 WeakPolarHBondContact O-CG1 3.42Å; K89-V91 PolarHBondContact O-N 2.96Å
90G61.4Low75.4Confident8 Ų860.4 Ų60.48%0.08232%0.317CS..SBendtrans58.634.217900000114.3I61 K62 D86I61-G90 WeakPolarHBondContact CG1-O 3.5Å; K62-G90 CarbonylContact C-O 3.56Å; D86-G90 WeakPolarHBondContact O-CA 3.21Å; D86-G90 PolarHBondContact O-N 2.9Å; D86-G90 PolarHBondContact OD2-N 3.41Å; D86-G90 VanDerWaalsContact OD2-N 3.14Å
91V65.8Low75.3Confident71 Ų7166.9 Ų66.943%0.4335%0.345SS..SBendtrans-107.3-10.8-176.6-61.40000114.7G60 I61 K89G60-V91 PolarHBondContact N-O 2.87Å; I61-V91 VanDerWaalsContact CG1-C 3.41Å; K89-V91 VanDerWaalsContact C-N 3.28Å; K89-V91 HydrophobicContact CB-CG1 4.13Å; K89-V91 HydrophobicContact CB-CG2 4.15Å; K89-V91 WeakPolarHBondContact O-CG1 3.42Å; K89-V91 PolarHBondContact O-N 2.96Å
92Y75.9Confident75.5Confident83 Ų8364.2 Ų64.233%0.32533%0.327SS..EExtended strand (participates in β ladder)trans-144.6161171.270.4-88.8000111.4F57 V58 I61 D86F57-Y92 HydrophobicContact CD2-CD2 4.22Å; F57-Y92 AromaticContact CE2-CD2 3.41Å; F57-Y92 HydrophobicContact CE2-CD2 3.41Å; F57-Y92 VanDerWaalsContact CE2-CD2 3.41Å; F57-Y92 HydrophobicContact CE2-CE2 4.2Å; F57-Y92 AromaticContact CE2-CG 3.65Å; F57-Y92 HydrophobicContact CE2-CG 3.65Å; F57-Y92 HydrophobicContact CZ-CD2 4.07Å; F57-Y92 AromaticContact CZ-CG 3.8Å; F57-Y92 HydrophobicContact CZ-CG 3.8Å; V58-Y92 CarbonylContact O-C 3.59Å; V58-Y92 WeakPolarHBondContact O-CA 3.29Å; V58-Y92 VanDerWaalsContact O-CB 3.27Å; V58-Y92 WeakPolarHBondContact O-CB 3.29Å; I61-Y92 VanDerWaalsContact CD1-C 3.49Å; I61-Y92 WeakPolarHBondContact CD1-O 3.49Å; D86-Y92 HydrophobicContact CB-CD1 3.69Å; D86-Y92 HydrophobicContact CB-CD2 4.19Å; D86-Y92 HydrophobicContact CB-CE1 3.41Å; D86-Y92 VanDerWaalsContact CB-CE1 3.41Å; D86-Y92 HydrophobicContact CB-CE2 3.96Å; D86-Y92 HydrophobicContact CB-CG 4.04Å; D86-Y92 WeakPolarHBondContact CB-O 3.44Å; D86-Y92 PolarHBondContact N-O 3.09Å; D86-Y92 WeakPolarHBondContact OD1-CE1 3.5Å; D86-Y92 PolarHBondContact OD1-OH 2.81Å
93A77.9Confident75.8Confident0 Ų061 Ų610%031%0.309CS..EExtended strand (participates in β ladder)trans-138.2163.8170.300000110.2V58 I61 L70 I84 V85V58-A93 PolarHBondContact N-O 3.35Å; V58-A93 PolarHBondContact O-N 3.36Å; I61-A93 HydrophobicContact CD1-CB 4.17Å; L70-A93 HydrophobicContact CD1-CB 3.71Å; I84-A93 CarbonylContact O-C 3.57Å; I84-A93 VanDerWaalsContact O-CA 3.23Å; I84-A93 WeakPolarHBondContact O-CA 3.39Å; V85-A93 HydrophobicContact CG2-CB 4.14Å
94I80.4Confident76Confident36 Ų3666.3 Ų66.319%0.18533%0.333CS..EExtended strand (participates in β ladder)trans-117.4123.3168.9-58.3172.4000106.5V56 F57 V83 I84V56-I94 WeakPolarHBondContact O-CA 3.37Å; F57-I94 HydrophobicContact CD2-CG1 4.46Å; V83-I94 WeakPolarHBondContact CA-O 3.2Å; I84-I94 HydrophobicContact CB-CB 4.43Å; I84-I94 PolarHBondContact N-O 3.43Å; I84-I94 PolarHBondContact O-N 3.46Å
95V84.9Confident76.7Confident0 Ų064.6 Ų64.60%033%0.332CS..EExtended strand (participates in β ladder)trans-109.4120.5178.7175.80000107.7S55 V56 V58 F74 V80 V83 F97S55-V95 CarbonylContact C-O 3.54Å; S55-V95 WeakPolarHBondContact CA-O 3.39Å; S55-V95 WeakPolarHBondContact CB-O 3.34Å; V56-V95 HydrophobicContact CG2-CB 4.02Å; V56-V95 PolarHBondContact N-O 2.77Å; V56-V95 PolarHBondContact O-N 2.87Å; V58-V95 HydrophobicContact CG2-CB 4.32Å; V58-V95 HydrophobicContact CG2-CG2 3.75Å; F74-V95 HydrophobicContact CB-CG1 3.82Å; F74-V95 HydrophobicContact CD2-CB 4.41Å; F74-V95 HydrophobicContact CD2-CG1 4.19Å; F74-V95 HydrophobicContact CD2-CG2 3.71Å; F74-V95 HydrophobicContact CE2-CG2 4.05Å; F74-V95 HydrophobicContact CG-CG1 3.98Å; F74-V95 HydrophobicContact CG-CG2 4.32Å; V80-V95 HydrophobicContact CG1-CG1 4.09Å; V80-V95 HydrophobicContact CG2-CG1 4.21Å; V83-V95 HydrophobicContact CG1-CG2 4.23Å; V83-V95 HydrophobicContact CG2-CG1 4.37Å; V83-V95 HydrophobicContact CG2-CG2 4.26Å; V95-F97 HydrophobicContact CG1-CE2 4.18Å; V95-F97 HydrophobicContact CG1-CZ 4.22Å
96Q87.6Confident77.3Confident25 Ų2562.9 Ų62.912%0.11732%0.321CS..EExtended strand (participates in β ladder)trans-100.6133.9177.2-164.2168.8-55.900109.1H51 H54 S81 D82H51-Q96 PolarHBondContact ND1-OE1 3.34Å; H51-Q96 VanDerWaalsContact ND1-OE1 3.14Å; H54-Q96 CarbonylContact O-C 3.55Å; H54-Q96 WeakPolarHBondContact O-CA 3.25Å; H54-Q96 VanDerWaalsContact O-CG 3.3Å; H54-Q96 WeakPolarHBondContact O-CG 3.33Å; S81-Q96 PolarHBondContact N-O 3.43Å; S81-Q96 WeakPolarHBondContact OG-CG 3.27Å; S81-Q96 PolarHBondContact OG-O 2.82Å; D82-Q96 HydrophobicContact CB-CB 4.19Å; D82-Q96 PolarHBondContact N-O 2.71Å; D82-Q96 PolarHBondContact O-N 3.42Å
97F89.9Confident78.5Confident2 Ų264.8 Ų64.81%0.00933%0.331CS..EExtended strand (participates in β ladder)trans-101161.7176.3-70.5-82.1000110.4H54 V56 F74 F77 G78 A79 V80 S81 V95 E99 I103 A106H54-F97 PolarHBondContact O-N 3.28Å; V56-F97 HydrophobicContact CG2-CE2 4Å; F74-F97 HydrophobicContact CB-CE1 4.27Å; F74-F97 HydrophobicContact CB-CZ 4.07Å; F74-F97 HydrophobicContact CD1-CZ 4.07Å; F74-F97 HydrophobicContact CG-CZ 4.43Å; F74-F97 WeakPolarHBondContact O-CE1 3.43Å; F77-F97 HydrophobicContact CB-CE1 4.24Å; F77-F97 HydrophobicContact CB-CZ 4.31Å; G78-F97 WeakPolarHBondContact O-CD1 3.1Å; A79-F97 CarbonylContact O-C 3.46Å; A79-F97 WeakPolarHBondContact O-CA 3.39Å; V80-F97 HydrophobicContact CG2-CD1 4.16Å; V80-F97 HydrophobicContact CG2-CE1 3.95Å; S81-F97 VanDerWaalsContact OG-C 3.25Å; S81-F97 PolarHBondContact OG-O 2.73Å; V95-F97 HydrophobicContact CG1-CE2 4.18Å; V95-F97 HydrophobicContact CG1-CZ 4.22Å; F97-E99 VanDerWaalsContact C-N 3.35Å; F97-I103 HydrophobicContact CB-CG1 4.44Å; F97-I103 HydrophobicContact CD2-CD1 4.32Å; F97-I103 HydrophobicContact CD2-CG1 3.5Å; F97-I103 VanDerWaalsContact CD2-CG1 3.5Å; F97-I103 HydrophobicContact CE2-CG1 4.12Å; F97-I103 HydrophobicContact CG-CG1 4.29Å; F97-A106 HydrophobicContact CE2-CB 4.22Å; F97-A106 HydrophobicContact CZ-CB 4.11Å
98S86.4Confident80.4Confident68 Ų6859.4 Ų59.448%0.47632%0.322SS..SBendtrans-75.2-27.4170.4-610000112.1A79A79-S98 PolarHBondContact O-N 2.93Å; A79-S98 PolarHBondContact O-OG 3.28Å
99E85.6Confident82.3Confident121 Ų12154.4 Ų54.457%0.56530%0.298SS*.SBendtrans-131.1146.7-172.4-64.6178.3-179.100112F97 E101F97-E99 VanDerWaalsContact C-N 3.35Å; E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 3.09Å
100S82.6Confident83.6Confident55 Ų5554.5 Ų54.539%0.38531%0.31SS..Hα-helixtrans-69.1-23.7178.8-76.50000113.7H54 I103H54-S100 PolarHBondContact CE1-OG 3.32Å; H54-S100 PolarHBondContact NE2-OG 3.38Å; S100-I103 PolarHBondContact O-N 3.05Å
101E86.7Confident84.8Confident157 Ų15757.6 Ų57.673%0.73432%0.323SS*.Hα-helixtrans-70.8-35.7-180-60.8-166.8-176.700111.8E99 I103 Q104 A105E99-E101 VanDerWaalsContact C-N 3.29Å; E99-E101 PolarHBondContact O-N 3.09Å; E101-I103 PolarHBondContact O-N 2.74Å; E101-I103 VanDerWaalsContact O-N 3.13Å; E101-Q104 WeakPolarHBondContact O-CA 3.24Å; E101-Q104 WeakPolarHBondContact O-CB 3.12Å; E101-Q104 PolarHBondContact O-N 3.08Å; E101-A105 PolarHBondContact O-N 3.33Å
102S91.3Very high86Confident5 Ų554.6 Ų54.64%0.03530%0.304CS..Hα-helixtrans-58.4-28.2176.9-45.20000113F77 A106F77-S102 WeakPolarHBondContact O-CA 3.13Å; F77-S102 WeakPolarHBondContact O-CB 3.38Å; F77-S102 PolarHBondContact O-OG 3.36Å; S102-A106 VanDerWaalsContact O-CB 3.32Å; S102-A106 WeakPolarHBondContact O-CB 3.07Å; S102-A106 PolarHBondContact O-N 2.85Å
103I85.8Confident86.6Confident12 Ų1258.2 Ų58.26%0.06232%0.317CS..Hα-helixtrans-74.5-36.7175.6-68.3164.6000111.5E53 V56 F97 S100 E101 A106 L107E53-I103 WeakPolarHBondContact O-CD1 3.4Å; V56-I103 HydrophobicContact CG1-CB 4.45Å; V56-I103 HydrophobicContact CG1-CG1 4.21Å; V56-I103 HydrophobicContact CG1-CG2 3.83Å; F97-I103 HydrophobicContact CB-CG1 4.44Å; F97-I103 HydrophobicContact CD2-CD1 4.32Å; F97-I103 HydrophobicContact CD2-CG1 3.5Å; F97-I103 VanDerWaalsContact CD2-CG1 3.5Å; F97-I103 HydrophobicContact CE2-CG1 4.12Å; F97-I103 HydrophobicContact CG-CG1 4.29Å; S100-I103 PolarHBondContact O-N 3.05Å; E101-I103 PolarHBondContact O-N 2.74Å; E101-I103 VanDerWaalsContact O-N 3.13Å; I103-A106 PolarHBondContact O-N 3.29Å; I103-L107 HydrophobicContact CG2-CD1 3.62Å; I103-L107 HydrophobicContact CG2-CG 4.16Å; I103-L107 VanDerWaalsContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CB 3.36Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.59Å
104Q86.9Confident87.1Confident128 Ų12859.1 Ų59.160%0.59832%0.322SS*.Hα-helixtrans-68.9-40.2174.1-54-51.7-43.300110.2E101 L107 A108E101-Q104 WeakPolarHBondContact O-CA 3.24Å; E101-Q104 WeakPolarHBondContact O-CB 3.12Å; E101-Q104 PolarHBondContact O-N 3.08Å; Q104-L107 PolarHBondContact O-N 2.93Å; Q104-A108 WeakPolarHBondContact O-CB 3.38Å; Q104-A108 PolarHBondContact O-N 3.39Å
105A89.2Confident87.3Confident47 Ų4762.5 Ų62.539%0.38834%0.337SS..Hα-helixtrans-60-46.6172.500000112.2F77 E101 C109F77-A105 HydrophobicContact CB-CB 4.24Å; F77-A105 HydrophobicContact CD1-CB 4.31Å; E101-A105 PolarHBondContact O-N 3.33Å; A105-C109 PolarHBondContact O-N 3.19Å
106A89.8Confident87Confident0 Ų066 Ų660%037%0.373CS..Hα-helixtrans-63.8-48.117600000112.1F77 F97 S102 I103 A108 C109 H112F77-A106 HydrophobicContact CB-CB 4.17Å; F77-A106 HydrophobicContact CD1-CB 4.4Å; F77-A106 HydrophobicContact CD2-CB 4.33Å; F77-A106 HydrophobicContact CG-CB 4.04Å; F97-A106 HydrophobicContact CE2-CB 4.22Å; F97-A106 HydrophobicContact CZ-CB 4.11Å; S102-A106 VanDerWaalsContact O-CB 3.32Å; S102-A106 WeakPolarHBondContact O-CB 3.07Å; S102-A106 PolarHBondContact O-N 2.85Å; I103-A106 PolarHBondContact O-N 3.29Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.04Å; A106-C109 WeakPolarHBondContact O-CB 3.42Å; A106-C109 PolarHBondContact O-N 3.44Å; A106-C109 VanDerWaalsContact O-N 3.15Å; A106-H112 PolarHBondContact O-CE1 3.03Å; A106-H112 VanDerWaalsContact O-CE1 3.26Å; A106-H112 PolarHBondContact O-NE2 3.35Å
107L88.1Confident86.8Confident57 Ų5766 Ų6630%0.29837%0.374SS..Hα-helixtrans-72-23.3-178.1-68.3174.3000114.1V56 I103 Q104 C109 V121 P123V56-L107 HydrophobicContact CG1-CD2 4.26Å; V56-L107 HydrophobicContact CG1-CG 4.27Å; I103-L107 HydrophobicContact CG2-CD1 3.62Å; I103-L107 HydrophobicContact CG2-CG 4.16Å; I103-L107 VanDerWaalsContact O-CB 3.24Å; I103-L107 WeakPolarHBondContact O-CB 3.36Å; I103-L107 WeakPolarHBondContact O-CG 3.48Å; I103-L107 PolarHBondContact O-N 2.59Å; Q104-L107 PolarHBondContact O-N 2.93Å; L107-C109 VanDerWaalsContact C-N 3.27Å; L107-V121 HydrophobicContact CD2-CG1 4.06Å; L107-P123 HydrophobicContact CD1-CG 3.93Å; L107-P123 HydrophobicContact CD2-CG 4.28Å
108A89.2Confident86.6Confident77 Ų7772.6 Ų72.664%0.63640%0.402SS*.THydrogen-bonded Turntrans-77.1-12171.900000113.1Q104 A106 V110Q104-A108 WeakPolarHBondContact O-CB 3.38Å; Q104-A108 PolarHBondContact O-N 3.39Å; A106-A108 VanDerWaalsContact C-N 3.34Å; A106-A108 PolarHBondContact O-N 3.04Å; A108-V110 PolarHBondContact O-N 2.99Å
109C89.1Confident86.7Confident43 Ų4369.7 Ų69.729%0.29138%0.381SS..  trans-67.8112.9176.3-167.90000110.8F77 A105 A106 L107 E111 H112F77-C109 HydrophobicContact CE1-CB 3.86Å; F77-C109 HydrophobicContact CZ-CB 4.1Å; A105-C109 PolarHBondContact O-N 3.19Å; A106-C109 WeakPolarHBondContact O-CB 3.42Å; A106-C109 PolarHBondContact O-N 3.44Å; A106-C109 VanDerWaalsContact O-N 3.15Å; L107-C109 VanDerWaalsContact C-N 3.27Å; C109-E111 VanDerWaalsContact C-N 3.25Å; C109-E111 PolarHBondContact O-N 2.78Å; C109-H112 VanDerWaalsContact CB-CE1 3.46Å; C109-H112 WeakPolarHBondContact CB-CE1 3.47Å
110V81.7Confident86.6Confident149 Ų14971.8 Ų71.890%0.90338%0.384SS*.SBendtrans-62.2-31.1-175.3177.80000112.7A108A108-V110 PolarHBondContact O-N 2.99Å
111E86.9Confident86.7Confident73 Ų7370.1 Ų70.134%0.34137%0.372SS..  trans-153.2114.9176.3-174.4174.9-116.500112.6C109 R113 K118C109-E111 VanDerWaalsContact C-N 3.25Å; C109-E111 PolarHBondContact O-N 2.78Å; E111-R113 HydrophobicContact CG-CG 4.19Å; E111-R113 IonicContact OE1-NH2 2.72Å; E111-R113 IonicContact OE2-CZ 2.77Å; E111-R113 IonicContact OE2-NE 2.68Å; E111-R113 PolarHBondContact OE2-NE 3.1Å; E111-R113 IonicContact OE2-NH2 3.05Å; E111-R113 PolarHBondContact OE2-NH2 3.2Å; E111-K118 HydrophobicContact CG-CD 4.23Å; E111-K118 HydrophobicContact CG-CG 4.29Å; E111-K118 VanDerWaalsContact OE1-CD 3.3Å; E111-K118 WeakPolarHBondContact OE1-CD 3.45Å; E111-K118 WeakPolarHBondContact OE1-CE 3.22Å; E111-K118 IonicContact OE1-NZ 3.95Å; E111-K118 PolarHBondContact OE1-NZ 2.98Å
112H90.7Very high86.4Confident9 Ų967.8 Ų67.84%0.04236%0.359CS..EExtended strand (participates in β ladder)trans-83.7134.8169.9-63.1-81.8000111.6Y73 F74 F77 A106 C109 K118 L119 V121Y73-H112 HydrophobicContact CE1-CB 4.23Å; Y73-H112 AromaticContact CE1-ND1 3.74Å; Y73-H112 AromaticContact CZ-ND1 3.94Å; Y73-H112 WeakPolarHBondContact OH-CA 3.42Å; Y73-H112 WeakPolarHBondContact OH-CB 3.36Å; Y73-H112 PolarHBondContact OH-ND1 2.83Å; F74-H112 AromaticContact CE1-CE1 3.95Å; F77-H112 AromaticContact CE2-CE1 3.83Å; F77-H112 AromaticContact CE2-ND1 3.85Å; F77-H112 AromaticContact CZ-CE1 3.63Å; F77-H112 AromaticContact CZ-ND1 3.69Å; A106-H112 PolarHBondContact O-CE1 3.03Å; A106-H112 VanDerWaalsContact O-CE1 3.26Å; A106-H112 PolarHBondContact O-NE2 3.35Å; C109-H112 VanDerWaalsContact CB-CE1 3.46Å; C109-H112 WeakPolarHBondContact CB-CE1 3.47Å; H112-K118 WeakPolarHBondContact O-CA 3.38Å; H112-L119 HydrophobicContact CB-CB 3.82Å; H112-L119 PolarHBondContact O-N 3.22Å; H112-V121 HydrophobicContact CB-CG2 4.48Å; H112-V121 WeakPolarHBondContact CD2-CG2 3.43Å; H112-V121 VanDerWaalsContact NE2-CG2 3.34Å; H112-V121 WeakPolarHBondContact NE2-CG2 3.45Å
113R88.5Confident85.9Confident159 Ų15971.9 Ų71.960%0.639%0.385SS*.EExtended strand (participates in β ladder)trans-135.1124172.9-61.3-172.9-175.2-159.91.6110.4Y73 E111 L117Y73-R113 WeakPolarHBondContact CE2-O 3.46Å; Y73-R113 PolarHBondContact OH-N 3.23Å; E111-R113 HydrophobicContact CG-CG 4.19Å; E111-R113 IonicContact OE1-NH2 2.72Å; E111-R113 IonicContact OE2-CZ 2.77Å; E111-R113 IonicContact OE2-NE 2.68Å; E111-R113 PolarHBondContact OE2-NE 3.1Å; E111-R113 IonicContact OE2-NH2 3.05Å; E111-R113 PolarHBondContact OE2-NH2 3.2Å; R113-L117 VanDerWaalsContact CA-O 3.32Å; R113-L117 WeakPolarHBondContact CA-O 3.37Å
114L87Confident85.3Confident18 Ų1874.8 Ų74.89%0.09440%0.396CS..EExtended strand (participates in β ladder)trans-129124.9175.317854.5000109.1I65 D69 L70 Y73 G116 L117 L119I65-L114 HydrophobicContact CG2-CD2 3.9Å; D69-L114 HydrophobicContact CB-CD2 4.3Å; L70-L114 HydrophobicContact CD2-CD2 3.75Å; L70-L114 HydrophobicContact CG-CD2 4.22Å; Y73-L114 HydrophobicContact CD2-CB 4.34Å; Y73-L114 HydrophobicContact CD2-CD1 4.04Å; Y73-L114 HydrophobicContact CG-CB 4.32Å; Y73-L114 HydrophobicContact CG-CD1 4.04Å; Y73-L114 HydrophobicContact CG-CD2 4.27Å; Y73-L114 HydrophobicContact CG-CG 4.44Å; L114-G116 PolarHBondContact O-N 3.29Å; L114-G116 VanDerWaalsContact O-N 3.1Å; L114-L117 PolarHBondContact N-O 3.03Å; L114-L117 WeakPolarHBondContact O-CA 3.34Å; L114-L117 WeakPolarHBondContact O-CB 3.48Å; L114-L117 PolarHBondContact O-N 2.85Å; L114-L119 HydrophobicContact CB-CD1 3.73Å; L114-L119 HydrophobicContact CB-CD2 4.46Å; L114-L119 HydrophobicContact CB-CG 4.11Å; L114-L119 HydrophobicContact CD2-CD1 4.12Å
115Q85.1Confident84.1Confident108 Ų10875 Ų7551%0.50540%0.397SS..THydrogen-bonded Turntrans47.138-175.3-56.6-173.15.700113.8I65 D69 L117I65-Q115 HydrophobicContact CD1-CB 4.14Å; I65-Q115 HydrophobicContact CD1-CG 4.09Å; I65-Q115 VanDerWaalsContact CD1-OE1 3.28Å; D69-Q115 VanDerWaalsContact CG-NE2 3.32Å; D69-Q115 PolarHBondContact OD1-NE2 2.72Å; Q115-L117 PolarHBondContact O-N 2.99Å
116G78.8Confident82.6Confident73 Ų7381.1 Ų81.175%0.75342%0.415SS*.THydrogen-bonded Turntrans76.6-3.9-176.600000115.8L114L114-G116 PolarHBondContact O-N 3.29Å; L114-G116 VanDerWaalsContact O-N 3.1Å
117L84.1Confident80.6Confident26 Ų2687.7 Ų87.714%0.13644%0.443CS..EExtended strand (participates in β ladder)trans-83.8129.3172.6-52.2179.8000110.3K62 I65 R113 L114 Q115 L119K62-L117 HydrophobicContact CB-CD1 4Å; K62-L117 HydrophobicContact CD-CD1 4Å; K62-L117 HydrophobicContact CD-CD2 3.86Å; K62-L117 HydrophobicContact CG-CD1 3.82Å; K62-L117 HydrophobicContact CG-CD2 4.34Å; I65-L117 HydrophobicContact CD1-CD1 3.92Å; I65-L117 HydrophobicContact CG1-CD1 3.81Å; R113-L117 VanDerWaalsContact CA-O 3.32Å; R113-L117 WeakPolarHBondContact CA-O 3.37Å; L114-L117 PolarHBondContact N-O 3.03Å; L114-L117 WeakPolarHBondContact O-CA 3.34Å; L114-L117 WeakPolarHBondContact O-CB 3.48Å; L114-L117 PolarHBondContact O-N 2.85Å; Q115-L117 PolarHBondContact O-N 2.99Å; L117-L119 HydrophobicContact CB-CD2 4.36Å; L117-L119 PolarHBondContact O-N 3.03Å
118K85.3Confident78.6Confident139 Ų13992.2 Ų92.260%0.60446%0.463SS*.EExtended strand (participates in β ladder)trans-77.1107.2171.9-179.6168.8-179.1154.90109.7E111 H112E111-K118 HydrophobicContact CG-CD 4.23Å; E111-K118 HydrophobicContact CG-CG 4.29Å; E111-K118 VanDerWaalsContact OE1-CD 3.3Å; E111-K118 WeakPolarHBondContact OE1-CD 3.45Å; E111-K118 WeakPolarHBondContact OE1-CE 3.22Å; E111-K118 IonicContact OE1-NZ 3.95Å; E111-K118 PolarHBondContact OE1-NZ 2.98Å; H112-K118 WeakPolarHBondContact O-CA 3.38Å
119L88.9Confident76.2Confident7 Ų793.2 Ų93.24%0.03745%0.453CS..EExtended strand (participates in β ladder)trans-80.7147.2177.8-51.7-174.7000110.6V58 I61 L70 Y73 F74 H112 L114 L117V58-L119 HydrophobicContact CG1-CB 4.25Å; V58-L119 HydrophobicContact CG1-CD1 3.98Å; I61-L119 HydrophobicContact CG2-CD2 3.65Å; L70-L119 HydrophobicContact CD2-CD1 4.29Å; Y73-L119 HydrophobicContact CD1-CD1 4.34Å; Y73-L119 HydrophobicContact CE1-CD1 4.25Å; F74-L119 HydrophobicContact CE2-CD1 4.27Å; F74-L119 HydrophobicContact CZ-CD1 4.32Å; H112-L119 HydrophobicContact CB-CB 3.82Å; H112-L119 PolarHBondContact O-N 3.22Å; L114-L119 HydrophobicContact CB-CD1 3.73Å; L114-L119 HydrophobicContact CB-CD2 4.46Å; L114-L119 HydrophobicContact CB-CG 4.11Å; L114-L119 HydrophobicContact CD2-CD1 4.12Å; L117-L119 HydrophobicContact CB-CD2 4.36Å; L117-L119 PolarHBondContact O-N 3.03Å
120R81.9Confident73.9Confident165 Ų16598 Ų9862%0.62347%0.469SS*.EExtended strand (participates in β ladder)trans-114.597.3173.5171.2176.3-77.5-173.6-5.1108.4S59 K122S59-R120 PolarHBondContact N-O 3.34Å; S59-R120 PolarHBondContact O-N 3.09Å; S59-R120 WeakPolarHBondContact OG-CB 3.27Å; S59-R120 PolarHBondContact OG-O 3.37Å; R120-K122 HydrophobicContact CG-CG 4.48Å
121V85.9Confident71.9Confident21 Ų2195.6 Ų95.613%0.12745%0.45CS..EExtended strand (participates in β ladder)trans-85.5143.7173.5-174.50000109.2V56 F57 V58 F74 L107 H112V56-V121 HydrophobicContact CB-CG1 3.7Å; V56-V121 HydrophobicContact CG1-CG1 4.09Å; V56-V121 HydrophobicContact CG2-CG1 3.78Å; F57-V121 CarbonylContact O-C 3.46Å; F57-V121 WeakPolarHBondContact O-CA 3.3Å; V58-V121 HydrophobicContact CG1-CG2 4.27Å; V58-V121 HydrophobicContact CG2-CG2 4.22Å; F74-V121 HydrophobicContact CE1-CG2 3.84Å; F74-V121 HydrophobicContact CZ-CG2 3.6Å; L107-V121 HydrophobicContact CD2-CG1 4.06Å; H112-V121 HydrophobicContact CB-CG2 4.48Å; H112-V121 WeakPolarHBondContact CD2-CG2 3.43Å; H112-V121 VanDerWaalsContact NE2-CG2 3.34Å; H112-V121 WeakPolarHBondContact NE2-CG2 3.45Å
122K80.4Confident69.3Low107 Ų10799.4 Ų99.447%0.46547%0.471SS..EExtended strand (participates in β ladder)trans-147156.3179.6-76.1-171.4169-169.90111F57 R120F57-K122 PolarHBondContact N-O 2.95Å; F57-K122 PolarHBondContact O-N 3.24Å; R120-K122 HydrophobicContact CG-CG 4.48Å
123P80.5Confident66.4Low91 Ų91104.7 Ų104.759%0.59151%0.506SS*.EExtended strand (participates in β ladder)trans-55.9145.5161.8-1931.1000110.7L107L107-P123 HydrophobicContact CD1-CG 3.93Å; L107-P123 HydrophobicContact CD2-CG 4.28Å
124R73.1Confident64.2Low73 Ų73105.1 Ų105.128%0.27551%0.513SS..PPolyproline II helixtrans-66.8138.7177-179.3162.2169.3164.3-1.3111.4H51 S55 K126H51-R124 PolarHBondContact O-NH1 3.45Å; S55-R124 WeakPolarHBondContact OG-CD 3.3Å; S55-R124 PolarHBondContact OG-NH1 3.23Å; R124-K126 PolarHBondContact O-N 3.04Å
125E62.3Low61.7Low134 Ų134113.6 Ų113.663%0.62655%0.549SS*.PPolyproline II helixtrans-67.3116.4177.1-69.8-174.216100111.1K127E125-K127 PolarHBondContact O-N 3.49Å; E125-K127 WeakPolarHBondContact OE2-CE 3.29Å; E125-K127 IonicContact OE2-NZ 3.34Å; E125-K127 PolarHBondContact OE2-NZ 3.06Å
126K58.1Low59.2Low175 Ų175117.7 Ų117.776%0.76157%0.565SS**PPolyproline II helixtrans-66.3118.4172.6-61.9-175.8178.6-174.50109.6R124R124-K126 PolarHBondContact O-N 3.04Å
127K48Very low57.2Low138 Ų138119.1 Ų119.160%0.656%0.555SS**  trans-129.8112.8-178.3-77.3177.1-179.7161.30110.6E125 F129E125-K127 PolarHBondContact O-N 3.49Å; E125-K127 WeakPolarHBondContact OE2-CE 3.29Å; E125-K127 IonicContact OE2-NZ 3.34Å; E125-K127 PolarHBondContact OE2-NZ 3.06Å; K127-F129 PolarHBondContact O-N 2.8Å
128E44.5Very low55Low151 Ų151121.9 Ų121.971%0.70657%0.57SS**  trans-51.6130-179.4-63.5-175.7127.400112.2K130E128-K130 PolarHBondContact O-N 3.45Å; E128-K130 VanDerWaalsContact O-N 3.07Å; E128-K130 WeakPolarHBondContact OE2-CE 3.14Å; E128-K130 IonicContact OE2-NZ 2.77Å; E128-K130 PolarHBondContact OE2-NZ 3.08Å
129F40.4Very low52.9Low98 Ų98120.4 Ų120.443%0.4358%0.575SS.*  trans-65.2108.7175.8177.1-102000110.6K127 L131K127-F129 PolarHBondContact O-N 2.8Å; F129-L131 HydrophobicContact CE1-CD1 4.29Å; F129-L131 HydrophobicContact CE1-CG 4.08Å; F129-L131 HydrophobicContact CZ-CD2 4.24Å; F129-L131 HydrophobicContact CZ-CG 4.04Å
130K40.3Very low50.8Low144 Ų144126.4 Ų126.463%0.62660%0.603SS**  trans-128.2115.3177.3-68.6176.3-176.5168.60109.5E128 I132E128-K130 PolarHBondContact O-N 3.45Å; E128-K130 VanDerWaalsContact O-N 3.07Å; E128-K130 WeakPolarHBondContact OE2-CE 3.14Å; E128-K130 IonicContact OE2-NZ 2.77Å; E128-K130 PolarHBondContact OE2-NZ 3.08Å; K130-I132 PolarHBondContact O-N 2.79Å
131L39.1Very low50.1Low99 Ų99120.3 Ų120.352%0.51859%0.586SS.*  trans-62.5119.6173.4-78.1154.1000109.5F129 P133 E303F129-L131 HydrophobicContact CE1-CD1 4.29Å; F129-L131 HydrophobicContact CE1-CG 4.08Å; F129-L131 HydrophobicContact CZ-CD2 4.24Å; F129-L131 HydrophobicContact CZ-CG 4.04Å; L131-P133 WeakPolarHBondContact O-CD 3.03Å; L131-E303 HydrophobicContact CD2-CB 4.19Å; L131-E303 HydrophobicContact CD2-CG 4.06Å
132I32.5Very low49.4Very low152 Ų152122.1 Ų122.178%0.77959%0.594SS**  trans-90.2112.4-178.8-59174.2000109.4K130K130-I132 PolarHBondContact O-N 2.79Å
133P30.4Very low49.3Very low120 Ų120119.6 Ų119.678%0.77958%0.584SS**PPolyproline II helixtrans-82.9124.6175.3-2.722.3000110L131L131-P133 WeakPolarHBondContact O-CD 3.03Å
134K41.7Very low49.3Very low169 Ų169120.1 Ų120.174%0.73558%0.579SS**PPolyproline II helixtrans-86.4146.9161.5-84.4-174.7174.91770110.3
135K34.5Very low49.8Very low196 Ų196118.6 Ų118.685%0.85258%0.575SS**PPolyproline II helixtrans-76.1162.2175.9-66.7-178.4178.2179.70110.4
136K32.1Very low51Low193 Ų193112.3 Ų112.384%0.83955%0.546SS*.PPolyproline II helixtrans-46.9143.4179.5-71.7-179.1175.1-179.40112.2
137N38.1Very low52.4Low103 Ų103107.6 Ų107.655%0.55153%0.529SS*.PPolyproline II helixtrans-64.6137.7160.9-85.7-20000109.8
138D37.8Very low54.3Low84 Ų84108.6 Ų108.645%0.44953%0.529SS..  trans-149.3148.4-179.1-175.984.5000106.9Q140 S141D138-Q140 PolarHBondContact O-N 3.12Å; D138-Q140 VanDerWaalsContact OD2-CG 3.27Å; D138-Q140 WeakPolarHBondContact OD2-CG 3.41Å; D138-Q140 PolarHBondContact OD2-N 3.17Å; D138-S141 WeakPolarHBondContact O-CB 3.44Å; D138-S141 PolarHBondContact O-N 3.34Å
139P40Very low56.5Low108 Ų108102 Ų10270%0.70150%0.499SS*.THydrogen-bonded Turntrans-52.7-24.6-178.115.9-31.5000115.1S141 L142P139-S141 PolarHBondContact O-N 3.07Å; P139-S141 VanDerWaalsContact O-N 3.11Å; P139-L142 PolarHBondContact O-N 2.99Å
140Q44.6Very low58.9Low133 Ų133100.1 Ų100.162%0.62149%0.49SS*.Hα-helixtrans-53.2-29.2170.3-66.2177.617.100113.4D138 Q143 Q144D138-Q140 PolarHBondContact O-N 3.12Å; D138-Q140 VanDerWaalsContact OD2-CG 3.27Å; D138-Q140 WeakPolarHBondContact OD2-CG 3.41Å; D138-Q140 PolarHBondContact OD2-N 3.17Å; Q140-Q143 PolarHBondContact O-N 3.4Å; Q140-Q144 WeakPolarHBondContact O-CB 3.38Å; Q140-Q144 VanDerWaalsContact O-CG 3.23Å; Q140-Q144 WeakPolarHBondContact O-CG 3.44Å; Q140-Q144 PolarHBondContact O-N 2.88Å
141S67.1Low61.3Low38 Ų3897 Ų9727%0.26649%0.485SS..Hα-helixtrans-61.5-43.8180-174.30000113.2D138 P139 Q143 Q144 I145D138-S141 WeakPolarHBondContact O-CB 3.44Å; D138-S141 PolarHBondContact O-N 3.34Å; P139-S141 PolarHBondContact O-N 3.07Å; P139-S141 VanDerWaalsContact O-N 3.11Å; S141-Q143 PolarHBondContact O-N 2.8Å; S141-Q144 PolarHBondContact O-N 3.11Å; S141-I145 VanDerWaalsContact O-CG1 3.28Å; S141-I145 WeakPolarHBondContact O-CG1 3.38Å; S141-I145 PolarHBondContact O-N 3.3Å
142L72.9Confident63.8Low58 Ų5895.5 Ų95.530%0.30448%0.475SS..Hα-helixtrans-68-38-179.2-75.7176.6000111.9P139 I145 F146 Y343 K346P139-L142 PolarHBondContact O-N 2.99Å; L142-I145 HydrophobicContact CD2-CD1 4.5Å; L142-I145 WeakPolarHBondContact O-CB 3.43Å; L142-I145 PolarHBondContact O-N 2.77Å; L142-F146 PolarHBondContact O-N 2.65Å; L142-Y343 HydrophobicContact CD2-CE2 4.2Å; L142-Y343 PolarHBondContact O-OH 2.94Å; L142-K346 HydrophobicContact CD1-CB 4.13Å; L142-K346 HydrophobicContact CD1-CD 4.38Å
143Q77.8Confident66.7Low54 Ų5488.3 Ų88.325%0.25244%0.438SS..Hα-helixtrans-67-44.1175-175.355.331.100111.5Q140 S141 I145 F146 D147Q140-Q143 PolarHBondContact O-N 3.4Å; S141-Q143 PolarHBondContact O-N 2.8Å; Q143-I145 PolarHBondContact O-N 2.96Å; Q143-F146 WeakPolarHBondContact O-CB 3.38Å; Q143-F146 PolarHBondContact O-N 3.36Å; Q143-D147 WeakPolarHBondContact CG-OD2 3.45Å; Q143-D147 PolarHBondContact NE2-OD1 3.09Å; Q143-D147 PolarHBondContact NE2-OD2 2.93Å; Q143-D147 PolarHBondContact O-N 2.64Å
144Q80.7Confident69.6Low103 Ų10383.5 Ų83.548%0.48141%0.407SS..Hα-helixtrans-62.2-29.4173.7-70167.720.900113Q140 S141 R148Q140-Q144 WeakPolarHBondContact O-CB 3.38Å; Q140-Q144 VanDerWaalsContact O-CG 3.23Å; Q140-Q144 WeakPolarHBondContact O-CG 3.44Å; Q140-Q144 PolarHBondContact O-N 2.88Å; S141-Q144 PolarHBondContact O-N 3.11Å; Q144-R148 WeakPolarHBondContact O-CG 3.46Å; Q144-R148 PolarHBondContact O-NE 3.32Å; Q144-R148 PolarHBondContact O-NH2 2.84Å
145I83.1Confident72Confident40 Ų4082.3 Ų82.321%0.20540%0.404CS..Hα-helixtrans-68.2-49.5168.8-70.5163.7000109.8S141 L142 Q143 D147 R148 L149 L170 Y343S141-I145 VanDerWaalsContact O-CG1 3.28Å; S141-I145 WeakPolarHBondContact O-CG1 3.38Å; S141-I145 PolarHBondContact O-N 3.3Å; L142-I145 HydrophobicContact CD2-CD1 4.5Å; L142-I145 WeakPolarHBondContact O-CB 3.43Å; L142-I145 PolarHBondContact O-N 2.77Å; Q143-I145 PolarHBondContact O-N 2.96Å; I145-D147 PolarHBondContact O-N 2.86Å; I145-R148 PolarHBondContact O-N 3.48Å; I145-L149 HydrophobicContact CG2-CD1 3.73Å; I145-L149 HydrophobicContact CG2-CG 4.37Å; I145-L149 WeakPolarHBondContact O-CG 3.16Å; I145-L149 PolarHBondContact O-N 3.1Å; I145-L149 VanDerWaalsContact O-N 3.09Å; I145-L170 HydrophobicContact CG2-CD2 3.79Å; I145-Y343 HydrophobicContact CG2-CE2 4.3Å
146F86.8Confident74.8Confident2 Ų275.3 Ų75.31%0.00938%0.376CS..Hα-helixtrans-58.2-47.7179.3-174.3-121.7000112.6L142 Q143 R148 L149 K150 Y343 L536 A537L142-F146 PolarHBondContact O-N 2.65Å; Q143-F146 WeakPolarHBondContact O-CB 3.38Å; Q143-F146 PolarHBondContact O-N 3.36Å; F146-R148 PolarHBondContact O-N 3.37Å; F146-L149 PolarHBondContact O-N 3.11Å; F146-L149 VanDerWaalsContact O-N 3.11Å; F146-K150 HydrophobicContact CD1-CD 4.38Å; F146-K150 HydrophobicContact CE1-CB 4.39Å; F146-K150 HydrophobicContact CE1-CD 3.76Å; F146-K150 HydrophobicContact CE1-CG 4.28Å; F146-K150 HydrophobicContact CE2-CB 4.28Å; F146-K150 HydrophobicContact CZ-CB 4.2Å; F146-K150 HydrophobicContact CZ-CD 4.04Å; F146-K150 HydrophobicContact CZ-CG 4.07Å; F146-K150 WeakPolarHBondContact O-CB 3.21Å; F146-K150 PolarHBondContact O-N 2.88Å; F146-Y343 WeakPolarHBondContact CA-OH 3.23Å; F146-Y343 WeakPolarHBondContact CB-OH 3.2Å; F146-Y343 HydrophobicContact CD2-CE1 4.26Å; F146-Y343 PolarHBondContact N-OH 3.42Å; F146-L536 HydrophobicContact CD2-CB 4.21Å; F146-L536 HydrophobicContact CE2-CB 3.7Å; F146-L536 HydrophobicContact CZ-CB 4.29Å; F146-A537 HydrophobicContact CE1-CB 4.13Å; F146-A537 HydrophobicContact CZ-CB 4.36Å
147D87.6Confident77.7Confident77 Ų7770.7 Ų70.741%0.41237%0.368SS..Hα-helixtrans-66.8-24.4-175.5-69.6-40.7000113.4Q143 I145 P151Q143-D147 WeakPolarHBondContact CG-OD2 3.45Å; Q143-D147 PolarHBondContact NE2-OD1 3.09Å; Q143-D147 PolarHBondContact NE2-OD2 2.93Å; Q143-D147 PolarHBondContact O-N 2.64Å; I145-D147 PolarHBondContact O-N 2.86Å; D147-P151 VanDerWaalsContact O-CD 3.29Å; D147-P151 WeakPolarHBondContact O-CD 3.35Å
148R88.6Confident80.5Confident159 Ų15967.8 Ų67.860%0.636%0.356SS*.Hα-helixtrans-77.9-39.7170.2-73.1177.7-66.6-162.6-0.3112.9Q144 I145 F146 P151Q144-R148 WeakPolarHBondContact O-CG 3.46Å; Q144-R148 PolarHBondContact O-NE 3.32Å; Q144-R148 PolarHBondContact O-NH2 2.84Å; I145-R148 PolarHBondContact O-N 3.48Å; F146-R148 PolarHBondContact O-N 3.37Å; R148-P151 WeakPolarHBondContact O-CD 3.47Å
149L89.8Confident83.3Confident12 Ų1263.9 Ų63.96%0.06334%0.335CS..Hα-helixtrans-77.9-30.8-179.2-64.5178.6000113.1I145 F146 E152 L153 L166 R169 L170I145-L149 HydrophobicContact CG2-CD1 3.73Å; I145-L149 HydrophobicContact CG2-CG 4.37Å; I145-L149 WeakPolarHBondContact O-CG 3.16Å; I145-L149 PolarHBondContact O-N 3.1Å; I145-L149 VanDerWaalsContact O-N 3.09Å; F146-L149 PolarHBondContact O-N 3.11Å; F146-L149 VanDerWaalsContact O-N 3.11Å; L149-E152 WeakPolarHBondContact O-CB 3.06Å; L149-E152 PolarHBondContact O-N 2.86Å; L149-L153 HydrophobicContact CB-CD1 4.05Å; L149-L153 HydrophobicContact CB-CG 4.42Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 2.94Å; L149-L166 HydrophobicContact CD1-CD1 4.08Å; L149-R169 HydrophobicContact CD1-CB 4.31Å; L149-R169 HydrophobicContact CD2-CB 3.62Å; L149-R169 HydrophobicContact CD2-CG 3.6Å; L149-L170 HydrophobicContact CD1-CD2 4.4Å
150K91.2Very high86.1Confident59 Ų5960.3 Ų60.326%0.25731%0.31SS..Hα-helixtrans-55.6-42-174.2179.3-173.2-172.2-178.20113.6F146 C154 S529F146-K150 HydrophobicContact CD1-CD 4.38Å; F146-K150 HydrophobicContact CE1-CB 4.39Å; F146-K150 HydrophobicContact CE1-CD 3.76Å; F146-K150 HydrophobicContact CE1-CG 4.28Å; F146-K150 HydrophobicContact CE2-CB 4.28Å; F146-K150 HydrophobicContact CZ-CB 4.2Å; F146-K150 HydrophobicContact CZ-CD 4.04Å; F146-K150 HydrophobicContact CZ-CG 4.07Å; F146-K150 WeakPolarHBondContact O-CB 3.21Å; F146-K150 PolarHBondContact O-N 2.88Å; K150-C154 WeakPolarHBondContact O-CB 3.35Å; K150-C154 PolarHBondContact O-N 2.84Å; K150-C154 PolarHBondContact O-SG 3.02Å; K150-S529 WeakPolarHBondContact CE-OG 3.25Å
151P90.8Very high88.6Confident79 Ų7955.2 Ų55.251%0.51329%0.291SS..Hα-helixtrans-59.3-48.3170.5-24.934.9000113.2D147 R148 C154 Q155D147-P151 VanDerWaalsContact O-CD 3.29Å; D147-P151 WeakPolarHBondContact O-CD 3.35Å; R148-P151 WeakPolarHBondContact O-CD 3.47Å; P151-C154 PolarHBondContact O-N 3.01Å; P151-Q155 WeakPolarHBondContact O-CG 3.44Å; P151-Q155 PolarHBondContact O-N 3.49Å
152E92.4Very high90Very high67 Ų6753.4 Ų53.431%0.31328%0.278SS..Hα-helixtrans-60.3-50.6179.4-57-178-110.700110.9L149 C154 Q155 L156 L165 R169L149-E152 WeakPolarHBondContact O-CB 3.06Å; L149-E152 PolarHBondContact O-N 2.86Å; E152-C154 VanDerWaalsContact C-N 3.29Å; E152-C154 PolarHBondContact O-N 3.47Å; E152-Q155 PolarHBondContact O-N 3.11Å; E152-L156 PolarHBondContact O-N 3.22Å; E152-L165 HydrophobicContact CB-CD2 3.75Å; E152-R169 IonicContact OE1-NE 2.96Å; E152-R169 PolarHBondContact OE1-NE 3.08Å; E152-R169 IonicContact OE2-CZ 2.68Å; E152-R169 VanDerWaalsContact OE2-CZ 3.29Å; E152-R169 IonicContact OE2-NE 3.99Å; E152-R169 PolarHBondContact OE2-NE 3.08Å; E152-R169 IonicContact OE2-NH2 3.04Å; E152-R169 PolarHBondContact OE2-NH2 3.46Å
153L92.6Very high91.3Very high1 Ų150.7 Ų50.71%0.00526%0.264CS..Hα-helixtrans-55.2-43.6176.7-66.5168.4000111.4L149 Q155 L156 Q162 L165L149-L153 HydrophobicContact CB-CD1 4.05Å; L149-L153 HydrophobicContact CB-CG 4.42Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.43Å; L149-L153 PolarHBondContact O-N 2.94Å; L153-Q155 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 2.96Å; L153-Q162 HydrophobicContact CB-CG 4.29Å; L153-Q162 HydrophobicContact CD2-CB 3.8Å; L153-Q162 HydrophobicContact CD2-CG 4.16Å; L153-Q162 VanDerWaalsContact CD2-O 3.29Å; L153-Q162 WeakPolarHBondContact CD2-O 3.31Å; L153-Q162 WeakPolarHBondContact O-CG 3.42Å; L153-Q162 PolarHBondContact O-NE2 3.21Å; L153-L165 HydrophobicContact CD2-CD2 4.27Å
154C91.3Very high92.2Very high19 Ų1951.8 Ų51.813%0.12827%0.268CS..Hα-helixtrans-67.5-22.3179.3-67.90000113.5K150 P151 E152 W530K150-C154 WeakPolarHBondContact O-CB 3.35Å; K150-C154 PolarHBondContact O-N 2.84Å; K150-C154 PolarHBondContact O-SG 3.02Å; P151-C154 PolarHBondContact O-N 3.01Å; E152-C154 VanDerWaalsContact C-N 3.29Å; E152-C154 PolarHBondContact O-N 3.47Å; C154-W530 PolarHBondContact O-NE1 3.33Å
155Q91.8Very high93Very high143 Ų14347.7 Ų47.767%0.66825%0.249SC*.Hα-helixtrans-87.9-13.1-179.2-70.3-67.11100114.9P151 E152 L153 K523P151-Q155 WeakPolarHBondContact O-CG 3.44Å; P151-Q155 PolarHBondContact O-N 3.49Å; E152-Q155 PolarHBondContact O-N 3.11Å; L153-Q155 PolarHBondContact O-N 3.22Å; Q155-K523 PolarHBondContact O-NZ 3.12Å
156L94.1Very high93.6Very high50 Ų5045.9 Ų45.926%0.26224%0.24SC..SBendtrans-68.4176.4175.3-66.1171.1000112.5E152 L153 A161 Q162 L165 K523 W530E152-L156 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 2.96Å; L156-A161 HydrophobicContact CB-CB 4.14Å; L156-A161 HydrophobicContact CD1-CB 4.2Å; L156-A161 WeakPolarHBondContact CD1-O 3.49Å; L156-A161 HydrophobicContact CD2-CB 4.42Å; L156-A161 HydrophobicContact CG-CB 4.5Å; L156-Q162 HydrophobicContact CB-CG 4.18Å; L156-Q162 HydrophobicContact CD1-CB 4.4Å; L156-Q162 HydrophobicContact CD1-CG 4.03Å; L156-L165 HydrophobicContact CD1-CB 3.88Å; L156-L165 HydrophobicContact CD1-CD2 3.72Å; L156-L165 HydrophobicContact CD1-CG 4.42Å; L156-K523 VanDerWaalsContact O-CD 3.24Å; L156-K523 WeakPolarHBondContact O-CD 3.48Å; L156-K523 VanDerWaalsContact O-CE 3.25Å; L156-K523 WeakPolarHBondContact O-CE 3.47Å; L156-K523 PolarHBondContact O-NZ 3.04Å; L156-W530 WeakPolarHBondContact O-CZ2 3.38Å
157S92.7Very high94Very high95 Ų9546.4 Ų46.466%0.66424%0.243SC*.SBendtrans-97-35.8-175.748.50000114.2W530S157-W530 WeakPolarHBondContact O-CH2 3.32Å
158S96.1Very high94.4Very high42 Ų4248.1 Ų48.129%0.29425%0.249SC..SBendtrans-133.3163.4-176.462.70000112.7D160 A161 Q162S158-D160 VanDerWaalsContact C-N 3.29Å; S158-A161 PolarHBondContact O-N 3.24Å; S158-A161 WeakPolarHBondContact OG-CB 3.44Å; S158-A161 PolarHBondContact OG-N 3.49Å; S158-A161 VanDerWaalsContact OG-N 3.12Å; S158-Q162 WeakPolarHBondContact O-CG 3.5Å; S158-Q162 PolarHBondContact O-N 3.22Å; S158-Q162 VanDerWaalsContact O-N 3.17Å
159V97.4Very high94.5Very high2 Ų246 Ų461%0.01224%0.241CC..Hα-helixtrans-60.8-40.5169.8166.30000110.7A161 Q162 M163 C424 Y520 W530 L532V159-A161 PolarHBondContact O-N 2.81Å; V159-Q162 WeakPolarHBondContact O-CA 3.19Å; V159-Q162 VanDerWaalsContact O-CB 3.31Å; V159-Q162 WeakPolarHBondContact O-CB 3.39Å; V159-Q162 PolarHBondContact O-N 3.36Å; V159-M163 HydrophobicContact CG1-CG 4.32Å; V159-M163 HydrophobicContact CG1-SD 3.73Å; V159-M163 WeakPolarHBondContact O-CG 3.45Å; V159-M163 PolarHBondContact O-N 3.49Å; V159-C424 HydrophobicContact CB-CB 3.94Å; V159-C424 HydrophobicContact CG1-CB 4.1Å; V159-Y520 HydrophobicContact CG1-CE2 4.16Å; V159-Y520 HydrophobicContact CG2-CD2 4.37Å; V159-Y520 HydrophobicContact CG2-CE1 4.49Å; V159-Y520 HydrophobicContact CG2-CE2 4.13Å; V159-Y520 WeakPolarHBondContact CG2-O 3.46Å; V159-W530 HydrophobicContact CG2-CZ3 4.28Å; V159-L532 HydrophobicContact CG1-CD1 3.78Å
160D98.1Very high94.6Very high33 Ų3346.2 Ų46.218%0.17624%0.242CC..Hα-helixtrans-54.7-47.9174.8-64.2-117000112.6S158 Q162 M163 K164 L423 C424S158-D160 VanDerWaalsContact C-N 3.29Å; D160-Q162 VanDerWaalsContact C-N 3.33Å; D160-Q162 PolarHBondContact O-N 2.83Å; D160-M163 PolarHBondContact O-N 3.01Å; D160-K164 WeakPolarHBondContact O-CG 3.43Å; D160-K164 PolarHBondContact O-N 3.45Å; D160-L423 HydrophobicContact CB-CB 4.21Å; D160-L423 HydrophobicContact CB-CD1 4.06Å; D160-L423 WeakPolarHBondContact OD1-CB 3.47Å; D160-L423 PolarHBondContact OD1-N 2.89Å; D160-C424 WeakPolarHBondContact OD2-CB 3.42Å; D160-C424 PolarHBondContact OD2-N 2.8Å
161A97.6Very high94.7Very high27 Ų2746.1 Ų46.122%0.22324%0.242CC..Hα-helixtrans-63.2-39.9175.800000111.5L156 S158 V159 M163 K164 L165L156-A161 HydrophobicContact CB-CB 4.14Å; L156-A161 HydrophobicContact CD1-CB 4.2Å; L156-A161 WeakPolarHBondContact CD1-O 3.49Å; L156-A161 HydrophobicContact CD2-CB 4.42Å; L156-A161 HydrophobicContact CG-CB 4.5Å; S158-A161 PolarHBondContact O-N 3.24Å; S158-A161 WeakPolarHBondContact OG-CB 3.44Å; S158-A161 PolarHBondContact OG-N 3.49Å; S158-A161 VanDerWaalsContact OG-N 3.12Å; V159-A161 PolarHBondContact O-N 2.81Å; A161-M163 VanDerWaalsContact C-N 3.31Å; A161-M163 PolarHBondContact O-N 3.01Å; A161-K164 PolarHBondContact O-N 2.77Å; A161-L165 WeakPolarHBondContact O-CB 3.32Å; A161-L165 PolarHBondContact O-N 3.31Å
162Q97.7Very high94.6Very high0 Ų042.8 Ų42.80%022%0.22CC..Hα-helixtrans-61.2-39.7175.2-70.2173.2-12.500112L153 L156 S158 V159 D160 L166 W530 L532L153-Q162 HydrophobicContact CB-CG 4.29Å; L153-Q162 HydrophobicContact CD2-CB 3.8Å; L153-Q162 HydrophobicContact CD2-CG 4.16Å; L153-Q162 VanDerWaalsContact CD2-O 3.29Å; L153-Q162 WeakPolarHBondContact CD2-O 3.31Å; L153-Q162 WeakPolarHBondContact O-CG 3.42Å; L153-Q162 PolarHBondContact O-NE2 3.21Å; L156-Q162 HydrophobicContact CB-CG 4.18Å; L156-Q162 HydrophobicContact CD1-CB 4.4Å; L156-Q162 HydrophobicContact CD1-CG 4.03Å; S158-Q162 WeakPolarHBondContact O-CG 3.5Å; S158-Q162 PolarHBondContact O-N 3.22Å; S158-Q162 VanDerWaalsContact O-N 3.17Å; V159-Q162 WeakPolarHBondContact O-CA 3.19Å; V159-Q162 VanDerWaalsContact O-CB 3.31Å; V159-Q162 WeakPolarHBondContact O-CB 3.39Å; V159-Q162 PolarHBondContact O-N 3.36Å; D160-Q162 VanDerWaalsContact C-N 3.33Å; D160-Q162 PolarHBondContact O-N 2.83Å; Q162-L166 WeakPolarHBondContact O-CB 3.35Å; Q162-L166 PolarHBondContact O-N 2.98Å; Q162-W530 VanDerWaalsContact NE2-CE2 3.31Å; Q162-W530 VanDerWaalsContact NE2-CZ2 3.31Å; Q162-L532 HydrophobicContact CB-CB 4.06Å; Q162-L532 HydrophobicContact CB-CD1 4.27Å; Q162-L532 HydrophobicContact CB-CD2 3.96Å; Q162-L532 HydrophobicContact CB-CG 4.32Å
163M98.4Very high94.3Very high0 Ų041 Ų410%022%0.219CC..Hα-helixtrans-72.8-38178.9-64.7171.761.600111.8V159 D160 A161 L166 V167 P336 L337 T340 L423 L427 L532V159-M163 HydrophobicContact CG1-CG 4.32Å; V159-M163 HydrophobicContact CG1-SD 3.73Å; V159-M163 WeakPolarHBondContact O-CG 3.45Å; V159-M163 PolarHBondContact O-N 3.49Å; D160-M163 PolarHBondContact O-N 3.01Å; A161-M163 VanDerWaalsContact C-N 3.31Å; A161-M163 PolarHBondContact O-N 3.01Å; M163-L166 PolarHBondContact O-N 3.44Å; M163-V167 PolarHBondContact O-N 2.93Å; M163-P336 HydrophobicContact CB-CB 3.78Å; M163-P336 HydrophobicContact CE-CB 4.28Å; M163-L337 HydrophobicContact CE-CD2 3.77Å; M163-L337 HydrophobicContact CE-CG 4.06Å; M163-T340 HydrophobicContact CG-CG2 4.27Å; M163-T340 WeakPolarHBondContact CG-OG1 3.24Å; M163-L423 HydrophobicContact CB-CD1 4.38Å; M163-L423 HydrophobicContact CE-CB 3.89Å; M163-L423 HydrophobicContact CE-CD2 4.04Å; M163-L423 HydrophobicContact CE-CG 4.45Å; M163-L423 HydrophobicContact SD-CB 3.73Å; M163-L427 HydrophobicContact CE-CB 4.18Å; M163-L427 HydrophobicContact CE-CD2 4.05Å; M163-L427 HydrophobicContact SD-CB 4.23Å; M163-L427 HydrophobicContact SD-CD2 3.64Å; M163-L532 HydrophobicContact CB-CD2 4.38Å; M163-L532 HydrophobicContact CG-CD1 3.68Å; M163-L532 HydrophobicContact CG-CD2 3.63Å; M163-L532 HydrophobicContact CG-CG 4.29Å; M163-L532 HydrophobicContact SD-CD1 4.33Å
164K98Very high93.9Very high77 Ų7745.8 Ų45.834%0.33524%0.242SC..Hα-helixtrans-65.4-45.8173.8-70-171.8177.4-165.70111.5D160 A161 L166 V167 E168 E332 P336 L423D160-K164 WeakPolarHBondContact O-CG 3.43Å; D160-K164 PolarHBondContact O-N 3.45Å; A161-K164 PolarHBondContact O-N 2.77Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.26Å; K164-V167 WeakPolarHBondContact O-CB 3.44Å; K164-V167 PolarHBondContact O-N 2.89Å; K164-V167 VanDerWaalsContact O-N 3.07Å; K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 3.5Å; K164-E168 VanDerWaalsContact O-N 3.08Å; K164-E332 WeakPolarHBondContact CE-OE1 3.39Å; K164-E332 IonicContact NZ-OE1 2.69Å; K164-E332 PolarHBondContact NZ-OE1 3.27Å; K164-E332 IonicContact NZ-OE2 2.7Å; K164-E332 PolarHBondContact NZ-OE2 3.24Å; K164-P336 HydrophobicContact CG-CG 4.03Å; K164-L423 HydrophobicContact CG-CD1 4.27Å
165L96.6Very high93.4Very high17 Ų1751.4 Ų51.49%0.08927%0.27CS..Hα-helixtrans-58.9-36.9172.3-179.466.4000112.5E152 L153 L156 A161 V167 E168 R169E152-L165 HydrophobicContact CB-CD2 3.75Å; L153-L165 HydrophobicContact CD2-CD2 4.27Å; L156-L165 HydrophobicContact CD1-CB 3.88Å; L156-L165 HydrophobicContact CD1-CD2 3.72Å; L156-L165 HydrophobicContact CD1-CG 4.42Å; A161-L165 WeakPolarHBondContact O-CB 3.32Å; A161-L165 PolarHBondContact O-N 3.31Å; L165-V167 VanDerWaalsContact C-N 3.3Å; L165-V167 PolarHBondContact O-N 2.93Å; L165-E168 PolarHBondContact O-N 3.04Å; L165-R169 HydrophobicContact CD1-CG 3.69Å; L165-R169 HydrophobicContact CG-CG 4.02Å; L165-R169 VanDerWaalsContact O-CB 3.31Å; L165-R169 WeakPolarHBondContact O-CB 3.3Å; L165-R169 VanDerWaalsContact O-CG 3.32Å; L165-R169 WeakPolarHBondContact O-CG 3.5Å; L165-R169 PolarHBondContact O-N 3.07Å
166L95.6Very high93Very high2 Ų246.9 Ų46.91%0.0125%0.25CC..Hα-helixtrans-64.9-32.9177.3-170.869.1000112.4L149 Q162 M163 K164 L170 T340 L532 L536L149-L166 HydrophobicContact CD1-CD1 4.08Å; Q162-L166 WeakPolarHBondContact O-CB 3.35Å; Q162-L166 PolarHBondContact O-N 2.98Å; M163-L166 PolarHBondContact O-N 3.44Å; K164-L166 VanDerWaalsContact C-N 3.28Å; K164-L166 PolarHBondContact O-N 3.26Å; L166-L170 HydrophobicContact CD1-CD1 3.64Å; L166-L170 HydrophobicContact CD1-CG 4.23Å; L166-L170 HydrophobicContact CG-CD1 3.87Å; L166-L170 VanDerWaalsContact O-CB 3.32Å; L166-L170 WeakPolarHBondContact O-CB 3.19Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.27Å; L166-L170 PolarHBondContact O-N 3.25Å; L166-T340 HydrophobicContact CD2-CG2 4.35Å; L166-L532 HydrophobicContact CD2-CD2 4.06Å; L166-L536 HydrophobicContact CD2-CD1 3.94Å
167V96.4Very high92.5Very high13 Ų1348.9 Ų48.98%0.07926%0.256CS..Hα-helixtrans-67.6-52.6170.41800000109.9M163 K164 L165 R169 L170 Q171 P336 F339M163-V167 PolarHBondContact O-N 2.93Å; K164-V167 WeakPolarHBondContact O-CB 3.44Å; K164-V167 PolarHBondContact O-N 2.89Å; K164-V167 VanDerWaalsContact O-N 3.07Å; L165-V167 VanDerWaalsContact C-N 3.3Å; L165-V167 PolarHBondContact O-N 2.93Å; V167-R169 VanDerWaalsContact C-N 3.25Å; V167-R169 PolarHBondContact O-N 3.27Å; V167-L170 PolarHBondContact O-N 3.36Å; V167-L170 VanDerWaalsContact O-N 3.17Å; V167-Q171 HydrophobicContact CG1-CB 4.38Å; V167-Q171 VanDerWaalsContact O-CB 3.28Å; V167-Q171 WeakPolarHBondContact O-CB 3.32Å; V167-Q171 VanDerWaalsContact O-CG 3.27Å; V167-Q171 WeakPolarHBondContact O-CG 3.32Å; V167-Q171 PolarHBondContact O-N 3.45Å; V167-P336 HydrophobicContact CG2-CB 4.25Å; V167-P336 HydrophobicContact CG2-CG 4.21Å; V167-F339 HydrophobicContact CB-CD1 4.48Å; V167-F339 HydrophobicContact CB-CG 4.44Å; V167-F339 HydrophobicContact CG1-CD2 4.36Å; V167-F339 HydrophobicContact CG1-CE1 4.37Å; V167-F339 HydrophobicContact CG1-CE2 4.14Å; V167-F339 HydrophobicContact CG1-CZ 4.16Å; V167-F339 HydrophobicContact CG2-CB 3.89Å; V167-F339 HydrophobicContact CG2-CD1 4.31Å; V167-F339 HydrophobicContact CG2-CD2 3.98Å; V167-F339 HydrophobicContact CG2-CG 3.82Å
168E94.8Very high91.9Very high113 Ų11351.4 Ų51.453%0.52826%0.255SS..Hα-helixtrans-53.5-40.5-178.7-68.6165.4-157.500113.2K164 L165K164-E168 WeakPolarHBondContact O-CG 3.46Å; K164-E168 PolarHBondContact O-N 3.5Å; K164-E168 VanDerWaalsContact O-N 3.08Å; L165-E168 PolarHBondContact O-N 3.04Å
169R91.8Very high91.1Very high116 Ų11650.5 Ų50.544%0.43825%0.25SC..THydrogen-bonded Turntrans-86.7-7.5-175.7-70.6-81.3-172.3-94-1.5115L149 E152 L165 V167L149-R169 HydrophobicContact CD1-CB 4.31Å; L149-R169 HydrophobicContact CD2-CB 3.62Å; L149-R169 HydrophobicContact CD2-CG 3.6Å; E152-R169 IonicContact OE1-NE 2.96Å; E152-R169 PolarHBondContact OE1-NE 3.08Å; E152-R169 IonicContact OE2-CZ 2.68Å; E152-R169 VanDerWaalsContact OE2-CZ 3.29Å; E152-R169 IonicContact OE2-NE 3.99Å; E152-R169 PolarHBondContact OE2-NE 3.08Å; E152-R169 IonicContact OE2-NH2 3.04Å; E152-R169 PolarHBondContact OE2-NH2 3.46Å; L165-R169 HydrophobicContact CD1-CG 3.69Å; L165-R169 HydrophobicContact CG-CG 4.02Å; L165-R169 VanDerWaalsContact O-CB 3.31Å; L165-R169 WeakPolarHBondContact O-CB 3.3Å; L165-R169 VanDerWaalsContact O-CG 3.32Å; L165-R169 WeakPolarHBondContact O-CG 3.5Å; L165-R169 PolarHBondContact O-N 3.07Å; V167-R169 VanDerWaalsContact C-N 3.25Å; V167-R169 PolarHBondContact O-N 3.27Å
170L91.3Very high90.8Very high15 Ų1551 Ų518%0.07925%0.252CS..THydrogen-bonded Turntrans-122.2-24.4-178.4-64.1-177.8000114.4I145 L149 L166 V167 I212 H213 F339 Y343I145-L170 HydrophobicContact CG2-CD2 3.79Å; L149-L170 HydrophobicContact CD1-CD2 4.4Å; L166-L170 HydrophobicContact CD1-CD1 3.64Å; L166-L170 HydrophobicContact CD1-CG 4.23Å; L166-L170 HydrophobicContact CG-CD1 3.87Å; L166-L170 VanDerWaalsContact O-CB 3.32Å; L166-L170 WeakPolarHBondContact O-CB 3.19Å; L166-L170 VanDerWaalsContact O-CG 3.25Å; L166-L170 WeakPolarHBondContact O-CG 3.27Å; L166-L170 PolarHBondContact O-N 3.25Å; V167-L170 PolarHBondContact O-N 3.36Å; V167-L170 VanDerWaalsContact O-N 3.17Å; L170-I212 HydrophobicContact CB-CG2 4.26Å; L170-I212 CarbonylContact O-C 3.51Å; L170-I212 WeakPolarHBondContact O-CA 3.41Å; L170-I212 WeakPolarHBondContact O-CB 3.45Å; L170-H213 PolarHBondContact O-CD2 3Å; L170-H213 PolarHBondContact O-N 2.95Å; L170-F339 HydrophobicContact CB-CD1 4.1Å; L170-F339 HydrophobicContact CB-CE1 4.05Å; L170-Y343 HydrophobicContact CD1-CD2 3.58Å; L170-Y343 HydrophobicContact CD1-CE2 4.06Å; L170-Y343 HydrophobicContact CD1-CG 4.42Å; L170-Y343 HydrophobicContact CD2-CE2 4.5Å
171Q93.6Very high90Very high58 Ų5851 Ų5127%0.27126%0.26SS..BIsolated β-bridgetrans-66.3152.8-173.868.3-178.4-20.200113.3V167 G173 G211 H213 F339V167-Q171 HydrophobicContact CG1-CB 4.38Å; V167-Q171 VanDerWaalsContact O-CB 3.28Å; V167-Q171 WeakPolarHBondContact O-CB 3.32Å; V167-Q171 VanDerWaalsContact O-CG 3.27Å; V167-Q171 WeakPolarHBondContact O-CG 3.32Å; V167-Q171 PolarHBondContact O-N 3.45Å; Q171-G173 PolarHBondContact O-N 3.48Å; Q171-G211 WeakPolarHBondContact CA-O 3.38Å; Q171-H213 PolarHBondContact O-CE1 3.02Å; Q171-H213 PolarHBondContact O-ND1 2.92Å; Q171-F339 HydrophobicContact CB-CE1 4.02Å; Q171-F339 HydrophobicContact CB-CZ 3.86Å
172L88.3Confident89.3Confident9 Ų955.1 Ų55.15%0.04728%0.278CS..PPolyproline II helixtrans-53.1122.3172-68.1176.9000112E176 K177 G211 I212L172-E176 HydrophobicContact CD2-CB 4.4Å; L172-E176 WeakPolarHBondContact CD2-OE1 3.21Å; L172-K177 HydrophobicContact CB-CG 4.23Å; L172-K177 VanDerWaalsContact O-CE 3.25Å; L172-K177 WeakPolarHBondContact O-CE 3.12Å; L172-G211 PolarHBondContact N-O 2.8Å; L172-I212 WeakPolarHBondContact CD2-O 3.35Å
173G85.4Confident88.6Confident29 Ų2955.5 Ų55.530%0.29928%0.28SS..PPolyproline II helixtrans-76.1160175.400000112.8Q171 N175 E176 K177Q171-G173 PolarHBondContact O-N 3.48Å; G173-N175 VanDerWaalsContact C-N 3.3Å; G173-N175 PolarHBondContact O-N 3.2Å; G173-E176 CarbonylContact O-C 3.49Å; G173-E176 WeakPolarHBondContact O-CA 3.46Å; G173-E176 VanDerWaalsContact O-CB 3.24Å; G173-E176 WeakPolarHBondContact O-CB 3.25Å; G173-E176 PolarHBondContact O-N 3.36Å; G173-K177 PolarHBondContact O-N 3.24Å
174E84.3Confident88.2Confident101 Ų10156.6 Ų56.647%0.47229%0.286SS..Hα-helixtrans-57.7-39-176.7-64.7-48.6121.100113.8E176 K177 K178E174-E176 VanDerWaalsContact C-N 3.28Å; E174-E176 PolarHBondContact O-N 3.13Å; E174-K177 PolarHBondContact O-N 3.06Å; E174-K177 WeakPolarHBondContact OE1-CE 3.48Å; E174-K177 IonicContact OE1-NZ 3.49Å; E174-K177 PolarHBondContact OE1-NZ 3.43Å; E174-K177 IonicContact OE2-NZ 3.45Å; E174-K178 WeakPolarHBondContact O-CB 3.44Å; E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 3.38Å
175N81.4Confident87.4Confident137 Ų13757.8 Ų57.873%0.73329%0.293SS*.Hα-helixtrans-67-31.2175.8-64.6-17.5000112.1G173 A179G173-N175 VanDerWaalsContact C-N 3.3Å; G173-N175 PolarHBondContact O-N 3.2Å; N175-A179 WeakPolarHBondContact O-CB 3.45Å; N175-A179 PolarHBondContact O-N 2.93Å
176E82.5Confident86.7Confident49 Ų4959.2 Ų59.223%0.22930%0.3CS..Hα-helixtrans-72.6-32.8174.2-102.9-168.1109.600112.7L172 G173 E174 R180 H213 S214L172-E176 HydrophobicContact CD2-CB 4.4Å; L172-E176 WeakPolarHBondContact CD2-OE1 3.21Å; G173-E176 CarbonylContact O-C 3.49Å; G173-E176 WeakPolarHBondContact O-CA 3.46Å; G173-E176 VanDerWaalsContact O-CB 3.24Å; G173-E176 WeakPolarHBondContact O-CB 3.25Å; G173-E176 PolarHBondContact O-N 3.36Å; E174-E176 VanDerWaalsContact C-N 3.28Å; E174-E176 PolarHBondContact O-N 3.13Å; E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.18Å; E176-R180 PolarHBondContact O-N 3.32Å; E176-R180 PolarHBondContact O-NH1 3.37Å; E176-R180 IonicContact OE1-CZ 3.42Å; E176-R180 IonicContact OE1-NH1 3.28Å; E176-R180 PolarHBondContact OE1-NH1 2.88Å; E176-R180 IonicContact OE1-NH2 3.04Å; E176-H213 IonicContact OE2-CE1 3.29Å; E176-H213 IonicContact OE2-CG 3.21Å; E176-H213 IonicContact OE2-ND1 2.7Å; E176-H213 PolarHBondContact OE2-ND1 2.6Å; E176-S214 PolarHBondContact OE1-N 3.23Å
177K83.6Confident86.1Confident91 Ų9159.1 Ų59.140%0.39630%0.3SS..Hα-helixtrans-71-49.2172.7-63.8173.9-171.9167.80110.7L172 G173 E174 A179 R180 G181L172-K177 HydrophobicContact CB-CG 4.23Å; L172-K177 VanDerWaalsContact O-CE 3.25Å; L172-K177 WeakPolarHBondContact O-CE 3.12Å; G173-K177 PolarHBondContact O-N 3.24Å; E174-K177 PolarHBondContact O-N 3.06Å; E174-K177 WeakPolarHBondContact OE1-CE 3.48Å; E174-K177 IonicContact OE1-NZ 3.49Å; E174-K177 PolarHBondContact OE1-NZ 3.43Å; E174-K177 IonicContact OE2-NZ 3.45Å; K177-A179 VanDerWaalsContact C-N 3.33Å; K177-A179 PolarHBondContact O-N 3.06Å; K177-R180 WeakPolarHBondContact O-CB 3.45Å; K177-R180 PolarHBondContact O-N 3.15Å; K177-R180 VanDerWaalsContact O-N 3.12Å; K177-G181 PolarHBondContact O-N 3.5Å
178K80.5Confident85.6Confident148 Ų14861 Ų6164%0.64331%0.308SS*.Hα-helixtrans-58.1-43.4175.8-72.4-173176.1-163.10112E174 R180 G181 L182E174-K178 WeakPolarHBondContact O-CB 3.44Å; E174-K178 WeakPolarHBondContact O-CG 3.47Å; E174-K178 PolarHBondContact O-N 3.38Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 3.1Å; K178-G181 PolarHBondContact O-N 2.91Å; K178-L182 WeakPolarHBondContact O-CG 3.29Å; K178-L182 PolarHBondContact O-N 3.16Å
179A80.8Confident84.7Confident23 Ų2360.9 Ų60.919%0.1931%0.308CS..Hα-helixtrans-62.5-36.517600000113.1N175 K177 V183 L304N175-A179 WeakPolarHBondContact O-CB 3.45Å; N175-A179 PolarHBondContact O-N 2.93Å; K177-A179 VanDerWaalsContact C-N 3.33Å; K177-A179 PolarHBondContact O-N 3.06Å; A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 2.87Å; A179-L304 HydrophobicContact CB-CD1 4.1Å; A179-L304 HydrophobicContact CB-CD2 4.07Å
180R89.8Confident84Confident13 Ų1355.8 Ų55.85%0.04929%0.289CS..Hα-helixtrans-66.4-44.2172.3-74.1171.917377-3.5111.7E176 K177 K178 L182 V183 V184 S206 C215 L217 L306E176-R180 VanDerWaalsContact O-CG 3.31Å; E176-R180 WeakPolarHBondContact O-CG 3.18Å; E176-R180 PolarHBondContact O-N 3.32Å; E176-R180 PolarHBondContact O-NH1 3.37Å; E176-R180 IonicContact OE1-CZ 3.42Å; E176-R180 IonicContact OE1-NH1 3.28Å; E176-R180 PolarHBondContact OE1-NH1 2.88Å; E176-R180 IonicContact OE1-NH2 3.04Å; K177-R180 WeakPolarHBondContact O-CB 3.45Å; K177-R180 PolarHBondContact O-N 3.15Å; K177-R180 VanDerWaalsContact O-N 3.12Å; K178-R180 VanDerWaalsContact C-N 3.33Å; K178-R180 PolarHBondContact O-N 3.1Å; R180-L182 VanDerWaalsContact C-N 3.31Å; R180-L182 PolarHBondContact O-N 3.44Å; R180-V183 PolarHBondContact O-N 3.02Å; R180-V183 VanDerWaalsContact O-N 3.14Å; R180-V184 VanDerWaalsContact O-CG2 3.3Å; R180-V184 WeakPolarHBondContact O-CG2 3.39Å; R180-V184 PolarHBondContact O-N 3.37Å; R180-S206 WeakPolarHBondContact CD-OG 3.5Å; R180-S206 PolarHBondContact NE-OG 3.38Å; R180-S206 VanDerWaalsContact NE-OG 3.12Å; R180-C215 PolarHBondContact NH2-O 2.88Å; R180-L217 HydrophobicContact CB-CD1 3.99Å; R180-L217 HydrophobicContact CG-CD1 3.83Å; R180-L306 HydrophobicContact CG-CD2 3.99Å
181G82.5Confident83.4Confident34 Ų3455.1 Ų55.135%0.35129%0.286SS..Hα-helixtrans-56.4-42.3174.400000113K177 K178 V184 Q185K177-G181 PolarHBondContact O-N 3.5Å; K178-G181 PolarHBondContact O-N 2.91Å; G181-V184 WeakPolarHBondContact O-CB 3.41Å; G181-V184 PolarHBondContact O-N 2.99Å; G181-Q185 PolarHBondContact O-N 2.99Å
182L82Confident82.7Confident113 Ų11355.5 Ų55.559%0.59229%0.292SS*.Hα-helixtrans-66.6-35.1175.8-68.3170.3000113.2K178 R180 L186K178-L182 WeakPolarHBondContact O-CG 3.29Å; K178-L182 PolarHBondContact O-N 3.16Å; R180-L182 VanDerWaalsContact C-N 3.31Å; R180-L182 PolarHBondContact O-N 3.44Å; L182-L186 WeakPolarHBondContact O-CB 3.49Å; L182-L186 PolarHBondContact O-N 3.18Å
183V83.9Confident81.9Confident8 Ų860.1 Ų60.15%0.04831%0.313CS..Hα-helixtrans-67.4-40.6172.4172.10000111.1A179 R180 L186 L187 L217 L304A179-V183 WeakPolarHBondContact O-CG2 3.49Å; A179-V183 PolarHBondContact O-N 2.87Å; R180-V183 PolarHBondContact O-N 3.02Å; R180-V183 VanDerWaalsContact O-N 3.14Å; V183-L186 PolarHBondContact O-N 3.21Å; V183-L187 HydrophobicContact CG1-CD1 3.9Å; V183-L187 HydrophobicContact CG1-CG 4.38Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.36Å; V183-L187 PolarHBondContact O-N 3.17Å; V183-L217 HydrophobicContact CB-CD2 4.12Å; V183-L217 HydrophobicContact CG1-CD2 3.6Å; V183-L304 HydrophobicContact CG2-CD1 3.43Å; V183-L304 VanDerWaalsContact CG2-CD1 3.43Å
184V90.1Very high81Confident22 Ų2260.3 Ų60.313%0.13331%0.306CS..Hα-helixtrans-63.3-45.4176.9169.50000110.6R180 G181 L187 Q188 I200 L202 L219R180-V184 VanDerWaalsContact O-CG2 3.3Å; R180-V184 WeakPolarHBondContact O-CG2 3.39Å; R180-V184 PolarHBondContact O-N 3.37Å; G181-V184 WeakPolarHBondContact O-CB 3.41Å; G181-V184 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 3.44Å; V184-Q188 WeakPolarHBondContact O-CB 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; V184-I200 HydrophobicContact CG1-CG2 4.05Å; V184-I200 WeakPolarHBondContact O-CG2 3.25Å; V184-L202 HydrophobicContact CG2-CD1 3.98Å; V184-L202 HydrophobicContact CG2-CD2 3.72Å; V184-L202 HydrophobicContact CG2-CG 3.7Å; V184-L219 HydrophobicContact CG2-CD2 3.8Å
185Q81.3Confident80.6Confident103 Ų10355.6 Ų55.648%0.48128%0.284SS..Hα-helixtrans-60.5-48.6174.5-175.8-174.2-22.800111.8G181 L187 Q188 E189G181-Q185 PolarHBondContact O-N 2.99Å; Q185-L187 VanDerWaalsContact C-N 3.28Å; Q185-L187 PolarHBondContact O-N 3.31Å; Q185-Q188 WeakPolarHBondContact O-CB 3.22Å; Q185-Q188 PolarHBondContact O-N 3.32Å; Q185-Q188 VanDerWaalsContact O-N 3.11Å; Q185-E189 HydrophobicContact CG-CG 4.49Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.31Å; Q185-E189 PolarHBondContact NE2-OE1 3.27Å; Q185-E189 WeakPolarHBondContact O-CG 3.43Å; Q185-E189 PolarHBondContact O-N 2.9Å
186L80.5Confident80.3Confident46 Ų4650.5 Ų50.524%0.24126%0.258CS..Hα-helixtrans-58.1-39.7176.6172.764.8000112.3L182 V183 V190 V280 P281L182-L186 WeakPolarHBondContact O-CB 3.49Å; L182-L186 PolarHBondContact O-N 3.18Å; V183-L186 PolarHBondContact O-N 3.21Å; L186-V190 HydrophobicContact CD1-CG2 4.47Å; L186-V190 WeakPolarHBondContact O-CG2 3.05Å; L186-V190 PolarHBondContact O-N 2.81Å; L186-V190 VanDerWaalsContact O-N 3.11Å; L186-V280 HydrophobicContact CD2-CG1 4.19Å; L186-V280 HydrophobicContact CG-CG1 4.41Å; L186-P281 HydrophobicContact CD1-CG 4.17Å; L186-P281 HydrophobicContact CD2-CG 3.95Å
187L82.9Confident80.2Confident0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-71.1-36.8176-70.9173000111.9V183 V184 Q185 V190 F191 I200 L219 L276 V280 Y299 I310V183-L187 HydrophobicContact CG1-CD1 3.9Å; V183-L187 HydrophobicContact CG1-CG 4.38Å; V183-L187 WeakPolarHBondContact O-CB 3.5Å; V183-L187 VanDerWaalsContact O-CG 3.25Å; V183-L187 WeakPolarHBondContact O-CG 3.36Å; V183-L187 PolarHBondContact O-N 3.17Å; V184-L187 PolarHBondContact O-N 3.44Å; Q185-L187 VanDerWaalsContact C-N 3.28Å; Q185-L187 PolarHBondContact O-N 3.31Å; L187-V190 PolarHBondContact O-N 3.06Å; L187-F191 HydrophobicContact CB-CD2 4.18Å; L187-F191 HydrophobicContact CB-CE2 4.12Å; L187-F191 HydrophobicContact CD2-CE2 4.01Å; L187-F191 WeakPolarHBondContact O-CB 3.34Å; L187-F191 WeakPolarHBondContact O-CD2 3.37Å; L187-F191 WeakPolarHBondContact O-CG 3.29Å; L187-F191 PolarHBondContact O-N 2.93Å; L187-I200 HydrophobicContact CB-CD1 3.7Å; L187-I200 HydrophobicContact CB-CG2 4.5Å; L187-I200 HydrophobicContact CD1-CD1 3.99Å; L187-I200 HydrophobicContact CG-CD1 4.46Å; L187-L219 HydrophobicContact CD1-CD1 3.51Å; L187-L276 HydrophobicContact CD2-CD2 3.58Å; L187-V280 HydrophobicContact CD2-CB 4.41Å; L187-V280 HydrophobicContact CD2-CG1 3.83Å; L187-V280 HydrophobicContact CD2-CG2 3.76Å; L187-Y299 WeakPolarHBondContact CD1-OH 3.22Å; L187-I310 HydrophobicContact CD1-CD1 4.38Å
188Q86.6Confident80.3Confident53 Ų5348.5 Ų48.525%0.24825%0.254CS..Hα-helixtrans-62.8-46.7174.8-175.363.379.700111.4V184 Q185 F191 V192 S198 I200V184-Q188 WeakPolarHBondContact O-CB 3.49Å; V184-Q188 PolarHBondContact O-N 3.08Å; Q185-Q188 WeakPolarHBondContact O-CB 3.22Å; Q185-Q188 PolarHBondContact O-N 3.32Å; Q185-Q188 VanDerWaalsContact O-N 3.11Å; Q188-F191 PolarHBondContact O-N 2.77Å; Q188-V192 VanDerWaalsContact NE2-CG2 3.29Å; Q188-V192 VanDerWaalsContact O-CG2 3.31Å; Q188-V192 WeakPolarHBondContact O-CG2 3.44Å; Q188-V192 PolarHBondContact O-N 3.5Å; Q188-S198 PolarHBondContact NE2-O 2.8Å; Q188-I200 HydrophobicContact CB-CG2 3.76Å
189E76.2Confident80.9Confident111 Ų11145.7 Ų45.752%0.51924%0.243SC..Hα-helixtrans-60.5-44.5176.7-73.1170.4-168.300111.5Q185Q185-E189 HydrophobicContact CG-CG 4.49Å; Q185-E189 WeakPolarHBondContact CG-OE1 3.31Å; Q185-E189 PolarHBondContact NE2-OE1 3.27Å; Q185-E189 WeakPolarHBondContact O-CG 3.43Å; Q185-E189 PolarHBondContact O-N 2.9Å
190V76Confident81.4Confident9 Ų945 Ų456%0.05524%0.236CC..Hα-helixtrans-70.7-44.8177.1173.10000111.8L186 L187 V192 E193 F194 I275 C279 V280L186-V190 HydrophobicContact CD1-CG2 4.47Å; L186-V190 WeakPolarHBondContact O-CG2 3.05Å; L186-V190 PolarHBondContact O-N 2.81Å; L186-V190 VanDerWaalsContact O-N 3.11Å; L187-V190 PolarHBondContact O-N 3.06Å; V190-V192 VanDerWaalsContact C-N 3.35Å; V190-V192 PolarHBondContact O-N 3.28Å; V190-E193 WeakPolarHBondContact O-CB 3.49Å; V190-E193 PolarHBondContact O-N 2.8Å; V190-F194 HydrophobicContact CG1-CD2 4.47Å; V190-F194 HydrophobicContact CG1-CE2 4.28Å; V190-F194 WeakPolarHBondContact O-CD2 3.31Å; V190-I275 HydrophobicContact CG1-CG2 3.66Å; V190-C279 HydrophobicContact CG1-CB 3.87Å; V190-V280 HydrophobicContact CB-CG2 4.18Å; V190-V280 HydrophobicContact CG1-CG2 3.81Å; V190-V280 HydrophobicContact CG2-CG2 4.26Å
191F80.3Confident81.7Confident0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-69.2-30.2-176.6-74.1-53.3000113L187 Q188 E193 F194 F195 I200 L221 V272 I275 L276 I310L187-F191 HydrophobicContact CB-CD2 4.18Å; L187-F191 HydrophobicContact CB-CE2 4.12Å; L187-F191 HydrophobicContact CD2-CE2 4.01Å; L187-F191 WeakPolarHBondContact O-CB 3.34Å; L187-F191 WeakPolarHBondContact O-CD2 3.37Å; L187-F191 WeakPolarHBondContact O-CG 3.29Å; L187-F191 PolarHBondContact O-N 2.93Å; Q188-F191 PolarHBondContact O-N 2.77Å; F191-E193 VanDerWaalsContact C-N 3.25Å; F191-E193 PolarHBondContact O-N 3.06Å; F191-F194 CarbonylContact O-C 3.55Å; F191-F194 PolarHBondContact O-N 2.92Å; F191-F194 VanDerWaalsContact O-N 3.08Å; F191-F195 HydrophobicContact CB-CD2 4.32Å; F191-F195 HydrophobicContact CD1-CD2 4.01Å; F191-F195 AromaticContact CD1-CE2 3.98Å; F191-F195 HydrophobicContact CD1-CE2 3.98Å; F191-F195 WeakPolarHBondContact O-CA 3.46Å; F191-F195 WeakPolarHBondContact O-CB 3.48Å; F191-F195 PolarHBondContact O-N 2.99Å; F191-I200 HydrophobicContact CD2-CD1 4Å; F191-I200 HydrophobicContact CE2-CD1 3.9Å; F191-L221 HydrophobicContact CB-CD1 4.13Å; F191-L221 HydrophobicContact CD1-CD2 4.1Å; F191-L221 HydrophobicContact CD2-CD1 4.11Å; F191-L221 HydrophobicContact CD2-CD2 4.24Å; F191-L221 HydrophobicContact CE1-CD2 4.26Å; F191-L221 HydrophobicContact CE2-CD2 4.39Å; F191-L221 HydrophobicContact CG-CD1 4.15Å; F191-L221 HydrophobicContact CG-CD2 4.11Å; F191-L221 HydrophobicContact CZ-CD2 4.41Å; F191-V272 HydrophobicContact CE1-CB 4.45Å; F191-V272 HydrophobicContact CE1-CG1 3.96Å; F191-V272 HydrophobicContact CE1-CG2 4.31Å; F191-V272 HydrophobicContact CZ-CG1 3.84Å; F191-I275 HydrophobicContact CD1-CD1 4.47Å; F191-I275 HydrophobicContact CD1-CG2 4.08Å; F191-I275 HydrophobicContact CE1-CB 4.23Å; F191-I275 HydrophobicContact CE1-CD1 4.5Å; F191-I275 HydrophobicContact CE1-CG2 3.86Å; F191-L276 HydrophobicContact CE2-CD2 4.41Å; F191-L276 HydrophobicContact CZ-CD2 3.79Å; F191-L276 HydrophobicContact CZ-CG 4.14Å; F191-I310 HydrophobicContact CE2-CD1 3.83Å; F191-I310 HydrophobicContact CZ-CD1 3.94Å
192V78.1Confident82.3Confident66 Ų6647.4 Ų47.440%0.424%0.241SC..Hα-helixtrans-65.6-28.1174.1169.70000112.5Q188 V190 F194Q188-V192 VanDerWaalsContact NE2-CG2 3.29Å; Q188-V192 VanDerWaalsContact O-CG2 3.31Å; Q188-V192 WeakPolarHBondContact O-CG2 3.44Å; Q188-V192 PolarHBondContact O-N 3.5Å; V190-V192 VanDerWaalsContact C-N 3.35Å; V190-V192 PolarHBondContact O-N 3.28Å; V192-F194 PolarHBondContact O-N 3.1Å
193E70.9Confident82.9Confident106 Ų10643.2 Ų43.250%0.49522%0.218SC..THydrogen-bonded Turntrans-67-18.9173.8-163.7168.5-16000112.9R36 V190 F191R36-E193 IonicContact CZ-OE1 3.11Å; R36-E193 IonicContact CZ-OE2 3.81Å; R36-E193 IonicContact NH1-OE1 3.45Å; R36-E193 PolarHBondContact NH1-OE1 3.2Å; R36-E193 IonicContact NH1-OE2 3.97Å; R36-E193 PolarHBondContact NH1-OE2 2.7Å; R36-E193 IonicContact NH2-OE1 2.83Å; R36-E193 PolarHBondContact NH2-OE1 3.41Å; R36-E193 IonicContact NH2-OE2 2.74Å; V190-E193 WeakPolarHBondContact O-CB 3.49Å; V190-E193 PolarHBondContact O-N 2.8Å; F191-E193 VanDerWaalsContact C-N 3.25Å; F191-E193 PolarHBondContact O-N 3.06Å
194F67.4Low83.4Confident34 Ų3443.3 Ų43.315%0.14922%0.221CC..THydrogen-bonded Turntrans-116.2-19.3177.1-64.8-90.2000114.3V190 F191 V192 I254 L255 I275 C279V190-F194 HydrophobicContact CG1-CD2 4.47Å; V190-F194 HydrophobicContact CG1-CE2 4.28Å; V190-F194 WeakPolarHBondContact O-CD2 3.31Å; F191-F194 CarbonylContact O-C 3.55Å; F191-F194 PolarHBondContact O-N 2.92Å; F191-F194 VanDerWaalsContact O-N 3.08Å; V192-F194 PolarHBondContact O-N 3.1Å; F194-I254 HydrophobicContact CD1-CD1 4.12Å; F194-I254 HydrophobicContact CD1-CG2 4.41Å; F194-I254 HydrophobicContact CE1-CD1 3.65Å; F194-L255 WeakPolarHBondContact O-CD2 3.12Å; F194-I275 HydrophobicContact CB-CD1 3.61Å; F194-I275 HydrophobicContact CB-CG1 4.43Å; F194-I275 HydrophobicContact CD1-CD1 3.93Å; F194-I275 HydrophobicContact CD1-CG1 3.91Å; F194-I275 HydrophobicContact CD2-CD1 4.05Å; F194-I275 HydrophobicContact CD2-CG1 4.04Å; F194-I275 HydrophobicContact CD2-CG2 3.78Å; F194-I275 HydrophobicContact CE1-CG1 4.17Å; F194-I275 HydrophobicContact CE2-CG1 4.33Å; F194-I275 HydrophobicContact CE2-CG2 3.88Å; F194-I275 HydrophobicContact CG-CD1 3.58Å; F194-I275 HydrophobicContact CG-CG1 3.85Å; F194-I275 HydrophobicContact CG-CG2 4.42Å; F194-I275 HydrophobicContact CZ-CG1 4.4Å; F194-C279 HydrophobicContact CE2-CB 4.2Å; F194-C279 HydrophobicContact CZ-CB 4.45Å; F194-C279 WeakPolarHBondContact CZ-SG 3.47Å
195F74.9Confident83.6Confident1 Ų143.5 Ų43.50%0.00422%0.223CC..SBendtrans-143.286.8-173.3-56.2-61.3000109.8F191 S198 L221 L223 T226 L260 L271 V272 I275F191-F195 HydrophobicContact CB-CD2 4.32Å; F191-F195 HydrophobicContact CD1-CD2 4.01Å; F191-F195 AromaticContact CD1-CE2 3.98Å; F191-F195 HydrophobicContact CD1-CE2 3.98Å; F191-F195 WeakPolarHBondContact O-CA 3.46Å; F191-F195 WeakPolarHBondContact O-CB 3.48Å; F191-F195 PolarHBondContact O-N 2.99Å; F195-S198 WeakPolarHBondContact O-CB 3.25Å; F195-S198 PolarHBondContact O-N 3.27Å; F195-S198 PolarHBondContact O-OG 3.42Å; F195-L221 HydrophobicContact CD2-CD2 4.34Å; F195-L221 HydrophobicContact CE2-CD2 4.26Å; F195-L223 HydrophobicContact CB-CD2 3.82Å; F195-L223 HydrophobicContact CD1-CD2 4.18Å; F195-L223 HydrophobicContact CD2-CD2 4.12Å; F195-L223 HydrophobicContact CG-CD2 3.8Å; F195-T226 HydrophobicContact CB-CG2 4.03Å; F195-L260 HydrophobicContact CD1-CD1 4.15Å; F195-L260 HydrophobicContact CE1-CD2 4.24Å; F195-L271 HydrophobicContact CE1-CD2 3.64Å; F195-L271 HydrophobicContact CE1-CG 4.5Å; F195-L271 HydrophobicContact CZ-CD2 3.58Å; F195-L271 HydrophobicContact CZ-CG 3.96Å; F195-V272 HydrophobicContact CE2-CG2 3.91Å; F195-V272 HydrophobicContact CZ-CG2 4.15Å; F195-I275 HydrophobicContact CD2-CD1 4.49Å; F195-I275 HydrophobicContact CE2-CD1 3.63Å; F195-I275 HydrophobicContact CZ-CD1 3.89Å
196P75Confident84.2Confident31 Ų3139.2 Ų39.220%0.20120%0.204CC..THydrogen-bonded Turntrans-52.7142.7177.8-29.536.5000112.7S198 T226 F229 L255P196-S198 PolarHBondContact O-N 2.94Å; P196-T226 WeakPolarHBondContact O-CA 3.44Å; P196-T226 VanDerWaalsContact O-CB 3.25Å; P196-T226 WeakPolarHBondContact O-CB 3.37Å; P196-T226 WeakPolarHBondContact O-CG2 3.48Å; P196-T226 PolarHBondContact O-OG1 2.88Å; P196-F229 HydrophobicContact CB-CD1 4.41Å; P196-L255 HydrophobicContact CG-CD1 3.55Å
197D81.1Confident85Confident93 Ų9339.1 Ų39.150%0.49721%0.206SC..THydrogen-bonded Turntrans55.111-177.4-55-29.2000116.5N225D197-N225 HydrophobicContact CB-CB 3.56Å; D197-N225 WeakPolarHBondContact O-CB 3.42Å; D197-N225 PolarHBondContact O-ND2 2.86Å; D197-N225 VanDerWaalsContact O-ND2 3.11Å
198S86.3Confident85.6Confident4 Ų439.4 Ų39.43%0.02821%0.207CC..  trans-67151.5173.164.60000111.9Q188 F195 P196 D222 T226Q188-S198 PolarHBondContact NE2-O 2.8Å; F195-S198 WeakPolarHBondContact O-CB 3.25Å; F195-S198 PolarHBondContact O-N 3.27Å; F195-S198 PolarHBondContact O-OG 3.42Å; P196-S198 PolarHBondContact O-N 2.94Å; S198-D222 VanDerWaalsContact CA-O 3.29Å; S198-D222 WeakPolarHBondContact CA-O 3.32Å; S198-D222 WeakPolarHBondContact CB-O 3.08Å; S198-T226 PolarHBondContact N-OG1 3.09Å
199Q91.4Very high86Confident90 Ų9038.6 Ų38.642%0.42121%0.206SC..EExtended strand (participates in β ladder)trans-129.7134.7179.4-61.5-173.113.300111L201 D222Q199-L201 HydrophobicContact CB-CD2 4.47Å; Q199-D222 HydrophobicContact CB-CB 4.38Å; Q199-D222 PolarHBondContact N-O 3.14Å; Q199-D222 VanDerWaalsContact N-O 3.07Å; Q199-D222 PolarHBondContact O-N 3.4Å
200I93.1Very high87Confident7 Ų733.4 Ų33.44%0.03618%0.182CC..EExtended strand (participates in β ladder)trans-106.6105.8174.8-161.3173000111.2V184 L187 Q188 F191 L219 F220 L221 I310V184-I200 HydrophobicContact CG1-CG2 4.05Å; V184-I200 WeakPolarHBondContact O-CG2 3.25Å; L187-I200 HydrophobicContact CB-CD1 3.7Å; L187-I200 HydrophobicContact CB-CG2 4.5Å; L187-I200 HydrophobicContact CD1-CD1 3.99Å; L187-I200 HydrophobicContact CG-CD1 4.46Å; Q188-I200 HydrophobicContact CB-CG2 3.76Å; F191-I200 HydrophobicContact CD2-CD1 4Å; F191-I200 HydrophobicContact CE2-CD1 3.9Å; I200-L219 HydrophobicContact CD1-CB 4.2Å; I200-L219 HydrophobicContact CD1-CD1 3.84Å; I200-L219 HydrophobicContact CD1-CG 4.43Å; I200-L219 HydrophobicContact CG1-CB 4.16Å; I200-L219 HydrophobicContact CG1-CD1 4.49Å; I200-L219 HydrophobicContact CG1-CD2 4.43Å; I200-F220 CarbonylContact C-O 3.34Å; I200-F220 WeakPolarHBondContact CA-O 3.39Å; I200-L221 HydrophobicContact CB-CD1 4.4Å; I200-I310 HydrophobicContact CD1-CD1 4.37Å
201L94.6Very high87.8Confident49 Ų4933.2 Ų33.226%0.25718%0.182SC..EExtended strand (participates in β ladder)trans-98.8130.3-174.5-56.9-176.8000111.3Q199 F220 V318Q199-L201 HydrophobicContact CB-CD2 4.47Å; L201-F220 HydrophobicContact CB-CD1 4.16Å; L201-F220 HydrophobicContact CD1-CD1 4.03Å; L201-F220 HydrophobicContact CD1-CE1 4.25Å; L201-F220 HydrophobicContact CG-CD1 4.32Å; L201-F220 PolarHBondContact N-O 3.31Å; L201-F220 PolarHBondContact O-N 3.17Å; L201-V318 HydrophobicContact CB-CG2 4.38Å
202L95.1Very high88.3Confident50 Ų5035.7 Ų35.726%0.26219%0.194SC..EExtended strand (participates in β ladder)trans-68.7133.3168.5-80.8164.3000110.7V184 V207 L217 L219V184-L202 HydrophobicContact CG2-CD1 3.98Å; V184-L202 HydrophobicContact CG2-CD2 3.72Å; V184-L202 HydrophobicContact CG2-CG 3.7Å; L202-V207 HydrophobicContact CB-CG1 3.81Å; L202-V207 HydrophobicContact CB-CG2 4.07Å; L202-V207 HydrophobicContact CD1-CG1 3.85Å; L202-V207 HydrophobicContact CG-CG1 4.29Å; L202-L217 HydrophobicContact CD2-CD1 3.46Å; L202-L217 VanDerWaalsContact CD2-CD1 3.46Å; L202-L219 HydrophobicContact CD2-CD2 3.76Å; L202-L219 HydrophobicContact CG-CD2 4.25Å
203F96.1Very high88.7Confident24 Ų2436.4 Ų36.411%0.10519%0.193CC..  trans-136.6-166.9165.576.8-83000111.2D218 L219 F220 N314 V318 T321F203-D218 HydrophobicContact CD1-CB 4.11Å; F203-D218 HydrophobicContact CD2-CB 4.14Å; F203-D218 HydrophobicContact CE1-CB 3.91Å; F203-D218 HydrophobicContact CE2-CB 3.92Å; F203-D218 HydrophobicContact CG-CB 4.21Å; F203-D218 HydrophobicContact CZ-CB 3.79Å; F203-D218 PolarHBondContact N-O 3.05Å; F203-D218 VanDerWaalsContact N-O 3.1Å; F203-L219 VanDerWaalsContact CE1-C 3.46Å; F203-F220 HydrophobicContact CD1-CB 4.01Å; F203-F220 HydrophobicContact CE1-CB 4.16Å; F203-N314 WeakPolarHBondContact CE2-ND2 3.27Å; F203-N314 WeakPolarHBondContact CZ-ND2 3.1Å; F203-V318 HydrophobicContact CB-CG2 4.13Å; F203-T321 HydrophobicContact CB-CG2 4.45Å
204G94.6Very high89.2Confident10 Ų1034.1 Ų34.110%0.10319%0.189CC..G310 helixtrans62.2-145.8168.400000113.4S206 V207 N208 D218 T321G204-S206 PolarHBondContact O-N 3.05Å; G204-V207 PolarHBondContact O-N 3.02Å; G204-N208 WeakPolarHBondContact O-CB 3.38Å; G204-N208 PolarHBondContact O-N 3.08Å; G204-N208 PolarHBondContact O-ND2 2.85Å; G204-N208 VanDerWaalsContact O-ND2 3.17Å; G204-D218 WeakPolarHBondContact CA-OD2 3.34Å; G204-T321 PolarHBondContact N-OG1 3.43Å
205S93.8Very high90.3Very high27 Ų2733.2 Ų33.219%0.18919%0.186CC..G310 helixtrans-68-21.9-167.4-59.40000113.4V207 G211 D218S205-V207 VanDerWaalsContact C-N 3.33Å; S205-V207 PolarHBondContact O-N 2.88Å; S205-G211 WeakPolarHBondContact O-CA 3.28Å; S205-G211 PolarHBondContact O-N 2.95Å; S205-D218 PolarHBondContact N-OD2 3.42Å
206S94.4Very high91.1Very high12 Ų1236.7 Ų36.78%0.08421%0.205CC..G310 helixtrans-72.7-22.3-179.5-78.70000113.7R180 G204 D216R180-S206 WeakPolarHBondContact CD-OG 3.5Å; R180-S206 PolarHBondContact NE-OG 3.38Å; R180-S206 VanDerWaalsContact NE-OG 3.12Å; G204-S206 PolarHBondContact O-N 3.05Å; S206-D216 PolarHBondContact OG-O 3.18Å
207V96.2Very high92Very high45 Ų4535.2 Ų35.227%0.27320%0.195SC..THydrogen-bonded Turntrans-134.2-11.3-180-61.80000116.2L202 G204 S205 T209 T321 Q325L202-V207 HydrophobicContact CB-CG1 3.81Å; L202-V207 HydrophobicContact CB-CG2 4.07Å; L202-V207 HydrophobicContact CD1-CG1 3.85Å; L202-V207 HydrophobicContact CG-CG1 4.29Å; G204-V207 PolarHBondContact O-N 3.02Å; S205-V207 VanDerWaalsContact C-N 3.33Å; S205-V207 PolarHBondContact O-N 2.88Å; V207-T209 PolarHBondContact O-N 3.17Å; V207-T321 HydrophobicContact CG2-CG2 3.64Å; V207-Q325 PolarHBondContact O-NE2 3.08Å
208N95.3Very high92.7Very high6 Ų632 Ų323%0.03218%0.179CC..SBendtrans-6919.4-179.871.814.4000116.3G204 F210 T321 L324G204-N208 WeakPolarHBondContact O-CB 3.38Å; G204-N208 PolarHBondContact O-N 3.08Å; G204-N208 PolarHBondContact O-ND2 2.85Å; G204-N208 VanDerWaalsContact O-ND2 3.17Å; N208-F210 WeakPolarHBondContact O-CD2 3.41Å; N208-F210 WeakPolarHBondContact O-CE2 3.46Å; N208-F210 PolarHBondContact O-N 2.99Å; N208-F210 PolarHBondContact OD1-N 3.01Å; N208-T321 HydrophobicContact CB-CG2 3.87Å; N208-L324 HydrophobicContact CB-CB 4.23Å; N208-L324 HydrophobicContact CB-CD1 4.28Å
209T96.1Very high93.2Very high36 Ų3631.9 Ų31.922%0.22118%0.177CC..SBendtrans63.3-17.8-17381.10000116.9V207 Q325 S328V207-T209 PolarHBondContact O-N 3.17Å; T209-Q325 HydrophobicContact CG2-CG 4.17Å; T209-S328 VanDerWaalsContact OG1-CB 3.23Å; T209-S328 WeakPolarHBondContact OG1-CB 3.49Å; T209-S328 PolarHBondContact OG1-OG 3.02Å; T209-S328 VanDerWaalsContact OG1-OG 3.12Å
210F96.6Very high93.4Very high2 Ų227.8 Ų27.81%0.00916%0.158CC..  trans-98.218.2-177.8-48.7-62.6000113.8N208 L324 L334 R335 V338 F339 R342 T367N208-F210 WeakPolarHBondContact O-CD2 3.41Å; N208-F210 WeakPolarHBondContact O-CE2 3.46Å; N208-F210 PolarHBondContact O-N 2.99Å; N208-F210 PolarHBondContact OD1-N 3.01Å; F210-L324 HydrophobicContact CD2-CD1 4.24Å; F210-L324 HydrophobicContact CE2-CB 3.98Å; F210-L324 HydrophobicContact CE2-CD1 4.18Å; F210-L324 HydrophobicContact CE2-CD2 4.15Å; F210-L324 HydrophobicContact CE2-CG 4.32Å; F210-L334 HydrophobicContact CE1-CG 4.1Å; F210-L334 HydrophobicContact CZ-CD2 3.82Å; F210-L334 HydrophobicContact CZ-CG 3.85Å; F210-R335 HydrophobicContact CD1-CG 4.1Å; F210-R335 HydrophobicContact CE1-CB 4.44Å; F210-R335 HydrophobicContact CE1-CG 3.7Å; F210-V338 HydrophobicContact CB-CG1 3.99Å; F210-V338 HydrophobicContact CD1-CB 3.72Å; F210-V338 HydrophobicContact CD1-CG1 3.46Å; F210-V338 VanDerWaalsContact CD1-CG1 3.46Å; F210-V338 HydrophobicContact CD1-CG2 4.28Å; F210-V338 HydrophobicContact CD2-CG1 4.23Å; F210-V338 HydrophobicContact CE1-CB 3.79Å; F210-V338 HydrophobicContact CE1-CG1 3.95Å; F210-V338 HydrophobicContact CE1-CG2 3.9Å; F210-V338 HydrophobicContact CG-CB 4.38Å; F210-V338 HydrophobicContact CG-CG1 3.63Å; F210-V338 HydrophobicContact CZ-CB 4.49Å; F210-V338 HydrophobicContact CZ-CG2 4.17Å; F210-F339 HydrophobicContact CB-CE2 4.5Å; F210-F339 HydrophobicContact CD1-CE2 4.42Å; F210-R342 VanDerWaalsContact CB-NH1 3.25Å; F210-R342 PolarHBondContact O-NH1 3.04Å; F210-T367 HydrophobicContact CD2-CG2 4.19Å; F210-T367 HydrophobicContact CE2-CG2 3.97Å
211G92.2Very high93.5Very high5 Ų527.4 Ų27.45%0.05216%0.156CC..  trans-70.8135.1177.600000113.3Q171 L172 S205Q171-G211 WeakPolarHBondContact CA-O 3.38Å; L172-G211 PolarHBondContact N-O 2.8Å; S205-G211 WeakPolarHBondContact O-CA 3.28Å; S205-G211 PolarHBondContact O-N 2.95Å
212I91.1Very high93.4Very high51 Ų5126 Ų2626%0.26215%0.149SC..BIsolated β-bridgetrans-108.3158.4174.562.2172000111.3L170 L172 S214 C215 F339L170-I212 HydrophobicContact CB-CG2 4.26Å; L170-I212 CarbonylContact O-C 3.51Å; L170-I212 WeakPolarHBondContact O-CA 3.41Å; L170-I212 WeakPolarHBondContact O-CB 3.45Å; L172-I212 WeakPolarHBondContact CD2-O 3.35Å; I212-S214 PolarHBondContact O-N 2.78Å; I212-C215 HydrophobicContact CG1-CB 4.13Å; I212-C215 VanDerWaalsContact O-CB 3.25Å; I212-C215 WeakPolarHBondContact O-CB 3.45Å; I212-C215 PolarHBondContact O-N 3.47Å; I212-C215 PolarHBondContact O-SG 2.87Å; I212-C215 VanDerWaalsContact O-SG 3.4Å; I212-F339 HydrophobicContact CG2-CD1 4.25Å; I212-F339 HydrophobicContact CG2-CE1 3.8Å; I212-F339 HydrophobicContact CG2-CZ 4.49Å
213H87.6Confident93.1Very high82 Ų8224.2 Ų24.238%0.3814%0.14SC..THydrogen-bonded Turntrans-41.1131.8170.2-65.3-50.7000112.1L170 Q171 E176 C215L170-H213 PolarHBondContact O-CD2 3Å; L170-H213 PolarHBondContact O-N 2.95Å; Q171-H213 PolarHBondContact O-CE1 3.02Å; Q171-H213 PolarHBondContact O-ND1 2.92Å; E176-H213 IonicContact OE2-CE1 3.29Å; E176-H213 IonicContact OE2-CG 3.21Å; E176-H213 IonicContact OE2-ND1 2.7Å; E176-H213 PolarHBondContact OE2-ND1 2.6Å; H213-C215 PolarHBondContact O-N 2.69Å
214S80.8Confident92.7Very high58 Ų5827.9 Ų27.941%0.40616%0.157SC..THydrogen-bonded Turntrans58.519-177.370.90000116.8E176 I212E176-S214 PolarHBondContact OE1-N 3.23Å; I212-S214 PolarHBondContact O-N 2.78Å
215C89.6Confident92.2Very high14 Ų1430.5 Ų30.510%0.09517%0.169CC..  trans-64.9154.8167.377.40000111.6R180 I212 H213 L306R180-C215 PolarHBondContact NH2-O 2.88Å; I212-C215 HydrophobicContact CG1-CB 4.13Å; I212-C215 VanDerWaalsContact O-CB 3.25Å; I212-C215 WeakPolarHBondContact O-CB 3.45Å; I212-C215 PolarHBondContact O-N 3.47Å; I212-C215 PolarHBondContact O-SG 2.87Å; I212-C215 VanDerWaalsContact O-SG 3.4Å; H213-C215 PolarHBondContact O-N 2.69Å; C215-L306 WeakPolarHBondContact O-CD1 3.35Å
216D91.6Very high91.6Very high74 Ų7429.2 Ų29.240%0.39616%0.16SC..  trans-66.4160.9-174.5-51.4-43.9000112.7S206 H307S206-D216 PolarHBondContact OG-O 3.18Å; D216-H307 WeakPolarHBondContact CA-O 3.38Å
217L94.2Very high91Very high0 Ų032.9 Ų32.90%017%0.174CC..EExtended strand (participates in β ladder)trans-101.289.2178.7-168.361.3000109.9R180 V183 L202 L219 L306 H307 G308 D309R180-L217 HydrophobicContact CB-CD1 3.99Å; R180-L217 HydrophobicContact CG-CD1 3.83Å; V183-L217 HydrophobicContact CB-CD2 4.12Å; V183-L217 HydrophobicContact CG1-CD2 3.6Å; L202-L217 HydrophobicContact CD2-CD1 3.46Å; L202-L217 VanDerWaalsContact CD2-CD1 3.46Å; L217-L219 HydrophobicContact CD1-CD2 4.37Å; L217-L219 HydrophobicContact CD2-CD1 4.09Å; L217-L219 HydrophobicContact CG-CD1 4.08Å; L217-L219 HydrophobicContact CG-CD2 4.07Å; L217-L219 HydrophobicContact CG-CG 4.02Å; L217-L306 HydrophobicContact CB-CD1 4.26Å; L217-L306 HydrophobicContact CB-CD2 3.98Å; L217-L306 HydrophobicContact CB-CG 4.04Å; L217-L306 HydrophobicContact CD2-CD2 3.78Å; L217-L306 HydrophobicContact CG-CD2 4.34Å; L217-H307 PolarHBondContact N-O 2.93Å; L217-G308 WeakPolarHBondContact O-CA 3.48Å; L217-D309 PolarHBondContact O-N 3.05Å
218D95.6Very high90.3Very high27 Ų2733.5 Ų33.514%0.14418%0.178CC..EExtended strand (participates in β ladder)trans-78.3117.9179.2-46.9-58.8000109.8F203 G204 S205F203-D218 HydrophobicContact CD1-CB 4.11Å; F203-D218 HydrophobicContact CD2-CB 4.14Å; F203-D218 HydrophobicContact CE1-CB 3.91Å; F203-D218 HydrophobicContact CE2-CB 3.92Å; F203-D218 HydrophobicContact CG-CB 4.21Å; F203-D218 HydrophobicContact CZ-CB 3.79Å; F203-D218 PolarHBondContact N-O 3.05Å; F203-D218 VanDerWaalsContact N-O 3.1Å; G204-D218 WeakPolarHBondContact CA-OD2 3.34Å; S205-D218 PolarHBondContact N-OD2 3.42Å
219L96.7Very high89.3Confident0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-128.6135-173-61.3174.7000112.2V184 L187 I200 L202 F203 L217 Y299 D309 I310 T311V184-L219 HydrophobicContact CG2-CD2 3.8Å; L187-L219 HydrophobicContact CD1-CD1 3.51Å; I200-L219 HydrophobicContact CD1-CB 4.2Å; I200-L219 HydrophobicContact CD1-CD1 3.84Å; I200-L219 HydrophobicContact CD1-CG 4.43Å; I200-L219 HydrophobicContact CG1-CB 4.16Å; I200-L219 HydrophobicContact CG1-CD1 4.49Å; I200-L219 HydrophobicContact CG1-CD2 4.43Å; L202-L219 HydrophobicContact CD2-CD2 3.76Å; L202-L219 HydrophobicContact CG-CD2 4.25Å; F203-L219 VanDerWaalsContact CE1-C 3.46Å; L217-L219 HydrophobicContact CD1-CD2 4.37Å; L217-L219 HydrophobicContact CD2-CD1 4.09Å; L217-L219 HydrophobicContact CG-CD1 4.08Å; L217-L219 HydrophobicContact CG-CD2 4.07Å; L217-L219 HydrophobicContact CG-CG 4.02Å; L219-Y299 HydrophobicContact CD1-CE1 4.43Å; L219-Y299 WeakPolarHBondContact CD1-OH 3.36Å; L219-D309 PolarHBondContact N-O 3.16Å; L219-I310 HydrophobicContact CB-CG1 4.27Å; L219-I310 HydrophobicContact CD1-CD1 4.39Å; L219-I310 HydrophobicContact CD1-CG1 4.31Å; L219-I310 CarbonylContact O-C 3.58Å; L219-I310 WeakPolarHBondContact O-CA 3.38Å; L219-T311 PolarHBondContact O-N 2.81Å; L219-T311 PolarHBondContact O-OG1 3.41Å; L219-T311 VanDerWaalsContact O-OG1 3.11Å
220F96Very high88.3Confident4 Ų437 Ų372%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-111116.9172.7165.4-110.6000108.1I200 L201 F203 D222 T311 L312 N314 R315 V318I200-F220 CarbonylContact C-O 3.34Å; I200-F220 WeakPolarHBondContact CA-O 3.39Å; L201-F220 HydrophobicContact CB-CD1 4.16Å; L201-F220 HydrophobicContact CD1-CD1 4.03Å; L201-F220 HydrophobicContact CD1-CE1 4.25Å; L201-F220 HydrophobicContact CG-CD1 4.32Å; L201-F220 PolarHBondContact N-O 3.31Å; L201-F220 PolarHBondContact O-N 3.17Å; F203-F220 HydrophobicContact CD1-CB 4.01Å; F203-F220 HydrophobicContact CE1-CB 4.16Å; F220-D222 HydrophobicContact CD1-CB 4.33Å; F220-D222 HydrophobicContact CE1-CB 3.55Å; F220-D222 WeakPolarHBondContact CE1-OD2 3.15Å; F220-D222 HydrophobicContact CZ-CB 3.8Å; F220-D222 WeakPolarHBondContact CZ-OD2 3.46Å; F220-T311 CarbonylContact C-O 3.59Å; F220-T311 WeakPolarHBondContact CA-O 3.38Å; F220-L312 VanDerWaalsContact CE2-O 3.23Å; F220-L312 WeakPolarHBondContact CE2-O 3.48Å; F220-N314 HydrophobicContact CD2-CB 4.04Å; F220-N314 VanDerWaalsContact CE2-N 3.29Å; F220-R315 HydrophobicContact CE1-CG 3.73Å; F220-R315 HydrophobicContact CE2-CG 4.1Å; F220-R315 HydrophobicContact CZ-CG 3.35Å; F220-V318 HydrophobicContact CB-CG2 3.95Å; F220-V318 HydrophobicContact CD1-CG2 3.74Å; F220-V318 HydrophobicContact CG-CG2 4.05Å
221L95.3Very high87.4Confident0 Ų039.5 Ų39.50%021%0.211CC..EExtended strand (participates in β ladder)trans-94.8102.8175174.863.3000108F191 F195 I200 L223 V272 I310 T311 L312F191-L221 HydrophobicContact CB-CD1 4.13Å; F191-L221 HydrophobicContact CD1-CD2 4.1Å; F191-L221 HydrophobicContact CD2-CD1 4.11Å; F191-L221 HydrophobicContact CD2-CD2 4.24Å; F191-L221 HydrophobicContact CE1-CD2 4.26Å; F191-L221 HydrophobicContact CE2-CD2 4.39Å; F191-L221 HydrophobicContact CG-CD1 4.15Å; F191-L221 HydrophobicContact CG-CD2 4.11Å; F191-L221 HydrophobicContact CZ-CD2 4.41Å; F195-L221 HydrophobicContact CD2-CD2 4.34Å; F195-L221 HydrophobicContact CE2-CD2 4.26Å; I200-L221 HydrophobicContact CB-CD1 4.4Å; L221-L223 HydrophobicContact CD1-CD2 4.33Å; L221-L223 HydrophobicContact CD2-CD2 4.32Å; L221-L223 HydrophobicContact CG-CD2 4.02Å; L221-L223 HydrophobicContact CG-CG 4.34Å; L221-V272 HydrophobicContact CD2-CG2 3.72Å; L221-I310 HydrophobicContact CB-CG2 3.86Å; L221-T311 PolarHBondContact N-O 2.96Å; L221-L312 HydrophobicContact CB-CD2 4.18Å; L221-L312 HydrophobicContact CD2-CD2 4.08Å; L221-L312 HydrophobicContact CG-CD2 4.26Å
222D92.8Very high86.6Confident19 Ų1947.8 Ų47.810%0.10224%0.241CC..EExtended strand (participates in β ladder)trans-79.8131176.5-154-43000110.5S198 Q199 F220 E224 R315S198-D222 VanDerWaalsContact CA-O 3.29Å; S198-D222 WeakPolarHBondContact CA-O 3.32Å; S198-D222 WeakPolarHBondContact CB-O 3.08Å; Q199-D222 HydrophobicContact CB-CB 4.38Å; Q199-D222 PolarHBondContact N-O 3.14Å; Q199-D222 VanDerWaalsContact N-O 3.07Å; Q199-D222 PolarHBondContact O-N 3.4Å; F220-D222 HydrophobicContact CD1-CB 4.33Å; F220-D222 HydrophobicContact CE1-CB 3.55Å; F220-D222 WeakPolarHBondContact CE1-OD2 3.15Å; F220-D222 HydrophobicContact CZ-CB 3.8Å; F220-D222 WeakPolarHBondContact CZ-OD2 3.46Å; D222-E224 WeakPolarHBondContact OD1-CB 3.24Å; D222-E224 PolarHBondContact OD1-N 2.96Å; D222-R315 VanDerWaalsContact CG-NH2 3.3Å; D222-R315 IonicContact OD1-CZ 3.25Å; D222-R315 IonicContact OD1-NH2 3.59Å; D222-R315 PolarHBondContact OD1-NH2 2.96Å; D222-R315 VanDerWaalsContact OD1-NH2 3.11Å; D222-R315 IonicContact OD2-CZ 3.05Å; D222-R315 VanDerWaalsContact OD2-CZ 3.26Å; D222-R315 IonicContact OD2-NE 2.74Å; D222-R315 PolarHBondContact OD2-NE 2.93Å; D222-R315 IonicContact OD2-NH2 2.91Å; D222-R315 PolarHBondContact OD2-NH2 3.04Å
223L89.5Confident85.7Confident12 Ų1247.4 Ų47.46%0.06325%0.245CC..  trans-124.49.9-178.4-60.2179.5000112.3F195 L221 N225 T226 K227 V268 L312F195-L223 HydrophobicContact CB-CD2 3.82Å; F195-L223 HydrophobicContact CD1-CD2 4.18Å; F195-L223 HydrophobicContact CD2-CD2 4.12Å; F195-L223 HydrophobicContact CG-CD2 3.8Å; L221-L223 HydrophobicContact CD1-CD2 4.33Å; L221-L223 HydrophobicContact CD2-CD2 4.32Å; L221-L223 HydrophobicContact CG-CD2 4.02Å; L221-L223 HydrophobicContact CG-CG 4.34Å; L223-N225 PolarHBondContact O-N 2.84Å; L223-T226 WeakPolarHBondContact O-CB 3.44Å; L223-T226 PolarHBondContact O-N 3.46Å; L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.59Å; L223-V268 HydrophobicContact CD1-CG1 3.69Å; L223-L312 HydrophobicContact CD1-CD2 3.82Å; L223-L312 HydrophobicContact CG-CD2 4.4Å
224E86.4Confident84.8Confident101 Ų10147.7 Ų47.747%0.47225%0.246SC..Hα-helixtrans-62.7-43.1-176.9-174.7173.7-104.200112.4D222 K227 T228 R315D222-E224 WeakPolarHBondContact OD1-CB 3.24Å; D222-E224 PolarHBondContact OD1-N 2.96Å; E224-K227 PolarHBondContact O-N 3.49Å; E224-T228 PolarHBondContact O-N 3.06Å; E224-T228 PolarHBondContact O-OG1 2.86Å; E224-R315 IonicContact OE1-CZ 2.82Å; E224-R315 IonicContact OE1-NH1 3.26Å; E224-R315 PolarHBondContact OE1-NH1 3.43Å; E224-R315 IonicContact OE1-NH2 2.7Å; E224-R315 IonicContact OE2-CZ 3.59Å; E224-R315 VanDerWaalsContact OE2-CZ 3.25Å; E224-R315 IonicContact OE2-NH1 3.65Å; E224-R315 PolarHBondContact OE2-NH1 3.48Å; E224-R315 IonicContact OE2-NH2 3.65Å; E224-R315 PolarHBondContact OE2-NH2 2.94Å
225N84.3Confident84Confident65 Ų6548.6 Ų48.635%0.34825%0.249SC..Hα-helixtrans-62.6-43173.3-59.4-32.8000111D197 L223 K227 T228 F229D197-N225 HydrophobicContact CB-CB 3.56Å; D197-N225 WeakPolarHBondContact O-CB 3.42Å; D197-N225 PolarHBondContact O-ND2 2.86Å; D197-N225 VanDerWaalsContact O-ND2 3.11Å; L223-N225 PolarHBondContact O-N 2.84Å; N225-K227 VanDerWaalsContact C-N 3.34Å; N225-K227 PolarHBondContact O-N 3.46Å; N225-T228 CarbonylContact O-C 3.45Å; N225-T228 WeakPolarHBondContact O-CA 3.4Å; N225-T228 WeakPolarHBondContact O-CB 3.42Å; N225-T228 PolarHBondContact O-N 3.17Å; N225-T228 VanDerWaalsContact O-N 3.11Å; N225-F229 WeakPolarHBondContact O-CB 3.34Å; N225-F229 PolarHBondContact O-N 3.38Å
226T81.1Confident82.5Confident0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-60.6-41178.3-41.70000112F195 P196 S198 L223 F229 Q230 L260F195-T226 HydrophobicContact CB-CG2 4.03Å; P196-T226 WeakPolarHBondContact O-CA 3.44Å; P196-T226 VanDerWaalsContact O-CB 3.25Å; P196-T226 WeakPolarHBondContact O-CB 3.37Å; P196-T226 WeakPolarHBondContact O-CG2 3.48Å; P196-T226 PolarHBondContact O-OG1 2.88Å; S198-T226 PolarHBondContact N-OG1 3.09Å; L223-T226 WeakPolarHBondContact O-CB 3.44Å; L223-T226 PolarHBondContact O-N 3.46Å; T226-F229 PolarHBondContact O-N 3.06Å; T226-Q230 PolarHBondContact O-N 2.85Å; T226-L260 HydrophobicContact CG2-CD1 3.55Å
227K82.8Confident80.8Confident89 Ų8952.9 Ų52.939%0.38728%0.28SS..Hα-helixtrans-63.6-43.4173-69.7175.3-172.8-163.80111.5L223 E224 N225 F229 Q230 A231 L260L223-K227 WeakPolarHBondContact O-CG 3.32Å; L223-K227 PolarHBondContact O-N 2.59Å; E224-K227 PolarHBondContact O-N 3.49Å; N225-K227 VanDerWaalsContact C-N 3.34Å; N225-K227 PolarHBondContact O-N 3.46Å; K227-F229 VanDerWaalsContact C-N 3.31Å; K227-F229 PolarHBondContact O-N 3.21Å; K227-Q230 PolarHBondContact O-N 3.12Å; K227-A231 WeakPolarHBondContact O-CB 3.31Å; K227-A231 PolarHBondContact O-N 3.19Å; K227-L260 WeakPolarHBondContact CE-O 3.36Å; K227-L260 HydrophobicContact CG-CB 3.78Å
228T81.3Confident78.8Confident58 Ų5860.6 Ų60.636%0.35632%0.316SS..Hα-helixtrans-63.1-38.1176.3-550000111.7E224 N225 R232E224-T228 PolarHBondContact O-N 3.06Å; E224-T228 PolarHBondContact O-OG1 2.86Å; N225-T228 CarbonylContact O-C 3.45Å; N225-T228 WeakPolarHBondContact O-CA 3.4Å; N225-T228 WeakPolarHBondContact O-CB 3.42Å; N225-T228 PolarHBondContact O-N 3.17Å; N225-T228 VanDerWaalsContact O-N 3.11Å; T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 2.78Å; T228-R232 VanDerWaalsContact O-N 3.09Å
229F74.8Confident76.5Confident98 Ų9867.5 Ų67.543%0.4335%0.348SS..Hα-helixtrans-65.3-51.4175.1-178.2-87.7000111.6P196 N225 T226 K227 A231 R232 A233P196-F229 HydrophobicContact CB-CD1 4.41Å; N225-F229 WeakPolarHBondContact O-CB 3.34Å; N225-F229 PolarHBondContact O-N 3.38Å; T226-F229 PolarHBondContact O-N 3.06Å; K227-F229 VanDerWaalsContact C-N 3.31Å; K227-F229 PolarHBondContact O-N 3.21Å; F229-A231 VanDerWaalsContact C-N 3.31Å; F229-A231 PolarHBondContact O-N 3.42Å; F229-R232 PolarHBondContact O-N 3.34Å; F229-A233 PolarHBondContact O-N 2.98Å
230Q74.8Confident74.1Confident19 Ų1971 Ų719%0.08938%0.377CS..Hα-helixtrans-57.6-41.9175.6-82.5-168.7-32.300112.2T226 K227 A233 K234 L255 I258 L260T226-Q230 PolarHBondContact O-N 2.85Å; K227-Q230 PolarHBondContact O-N 3.12Å; Q230-A233 PolarHBondContact O-N 2.83Å; Q230-K234 WeakPolarHBondContact O-CG 3.44Å; Q230-K234 PolarHBondContact O-N 2.93Å; Q230-K234 VanDerWaalsContact O-N 3.09Å; Q230-L255 PolarHBondContact NE2-O 2.91Å; Q230-I258 PolarHBondContact NE2-O 3.46Å; Q230-L260 VanDerWaalsContact OE1-CB 3.25Å; Q230-L260 VanDerWaalsContact OE1-CG 3.32Å
231A76.8Confident71.6Confident53 Ų5374 Ų7444%0.43841%0.409SS..Hα-helixtrans-62.4-45.6178.100000112.1K227 F229 K234 T235K227-A231 WeakPolarHBondContact O-CB 3.31Å; K227-A231 PolarHBondContact O-N 3.19Å; F229-A231 VanDerWaalsContact C-N 3.31Å; F229-A231 PolarHBondContact O-N 3.42Å; A231-K234 PolarHBondContact O-N 2.97Å; A231-T235 PolarHBondContact O-N 3.21Å; A231-T235 VanDerWaalsContact O-N 3.15Å; A231-T235 PolarHBondContact O-OG1 3.2Å
232R76.2Confident69.3Low179 Ų17984 Ų8468%0.67546%0.456SS*.Hα-helixtrans-60.8-47.4175.9-73.4172.4-177.9175.12.7111.7T228 F229 K234 T235 S236T228-R232 WeakPolarHBondContact O-CG 3.33Å; T228-R232 PolarHBondContact O-N 2.78Å; T228-R232 VanDerWaalsContact O-N 3.09Å; F229-R232 PolarHBondContact O-N 3.34Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 2.82Å; R232-T235 WeakPolarHBondContact CA-OG1 3.45Å; R232-T235 PolarHBondContact O-N 3.4Å; R232-T235 VanDerWaalsContact O-N 3.16Å; R232-T235 PolarHBondContact O-OG1 2.8Å; R232-S236 PolarHBondContact O-N 2.94Å; R232-S236 PolarHBondContact O-OG 3.32Å
233A70.8Confident66.7Low43 Ų4386.2 Ų86.236%0.35548%0.483SS..Hα-helixtrans-57.2-43.9179.500000112.3F229 Q230 S236 T237F229-A233 PolarHBondContact O-N 2.98Å; Q230-A233 PolarHBondContact O-N 2.83Å; A233-S236 WeakPolarHBondContact CA-OG 3.49Å; A233-S236 PolarHBondContact O-N 3.26Å; A233-S236 PolarHBondContact O-OG 3.39Å; A233-T237 PolarHBondContact O-N 3.02Å; A233-T237 PolarHBondContact O-OG1 2.7Å; A233-T237 VanDerWaalsContact O-OG1 3.13Å
234K69.6Low64.7Low89 Ų8992.9 Ų92.939%0.38752%0.524SS..Hα-helixtrans-59.6-48.8174.3-72.9173.9174.6-179.40112.1Q230 A231 R232 S236 T237 E238 D259Q230-K234 WeakPolarHBondContact O-CG 3.44Å; Q230-K234 PolarHBondContact O-N 2.93Å; Q230-K234 VanDerWaalsContact O-N 3.09Å; A231-K234 PolarHBondContact O-N 2.97Å; R232-K234 VanDerWaalsContact C-N 3.33Å; R232-K234 PolarHBondContact O-N 2.82Å; K234-S236 VanDerWaalsContact C-N 3.29Å; K234-S236 PolarHBondContact O-N 3.23Å; K234-T237 PolarHBondContact O-N 2.85Å; K234-T237 VanDerWaalsContact O-N 3.1Å; K234-E238 PolarHBondContact O-N 2.86Å; K234-E238 VanDerWaalsContact O-N 3.09Å; K234-D259 IonicContact NZ-OD1 3.29Å; K234-D259 PolarHBondContact NZ-OD1 2.83Å; K234-D259 IonicContact NZ-OD2 3.93Å; K234-D259 PolarHBondContact NZ-OD2 2.85Å
235T63.7Low62.3Low76 Ų7693.3 Ų93.347%0.46654%0.538SS..Hα-helixtrans-64-29.1-179.6540000114A231 R232 Q239A231-T235 PolarHBondContact O-N 3.21Å; A231-T235 VanDerWaalsContact O-N 3.15Å; A231-T235 PolarHBondContact O-OG1 3.2Å; R232-T235 WeakPolarHBondContact CA-OG1 3.45Å; R232-T235 PolarHBondContact O-N 3.4Å; R232-T235 VanDerWaalsContact O-N 3.16Å; R232-T235 PolarHBondContact O-OG1 2.8Å; T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.13Å
236S58.3Low60.5Low73 Ų7398 Ų9851%0.5156%0.563SS.*Hα-helixtrans-70.4-36.8172.4380000112.9R232 A233 K234 Q239 A240R232-S236 PolarHBondContact O-N 2.94Å; R232-S236 PolarHBondContact O-OG 3.32Å; A233-S236 WeakPolarHBondContact CA-OG 3.49Å; A233-S236 PolarHBondContact O-N 3.26Å; A233-S236 PolarHBondContact O-OG 3.39Å; K234-S236 VanDerWaalsContact C-N 3.29Å; K234-S236 PolarHBondContact O-N 3.23Å; S236-Q239 PolarHBondContact O-N 3Å; S236-A240 PolarHBondContact O-N 3.23Å
237T55.7Low58.2Low106 Ų106105.1 Ų105.165%0.6560%0.602SS**Hα-helixtrans-69.9-37.2177.7-480000111.7A233 K234 Q239 A240A233-T237 PolarHBondContact O-N 3.02Å; A233-T237 PolarHBondContact O-OG1 2.7Å; A233-T237 VanDerWaalsContact O-OG1 3.13Å; K234-T237 PolarHBondContact O-N 2.85Å; K234-T237 VanDerWaalsContact O-N 3.1Å; T237-Q239 VanDerWaalsContact C-N 3.31Å; T237-Q239 PolarHBondContact O-N 3.31Å; T237-A240 PolarHBondContact O-N 2.84Å
238E53.1Low56.2Low161 Ų161104 Ų10475%0.75262%0.615SS**Hα-helixtrans-70.9-22.2177.9-69.4178.5164.800113.8K234K234-E238 PolarHBondContact O-N 2.86Å; K234-E238 VanDerWaalsContact O-N 3.09Å
239Q47.6Very low54.1Low172 Ų172112.8 Ų112.880%0.80464%0.642SS**Hα-helixtrans-87.8-14.8174.1-70.1-1762.200113.4T235 S236 T237 G241T235-Q239 WeakPolarHBondContact O-CG 3.47Å; T235-Q239 PolarHBondContact O-N 3.13Å; S236-Q239 PolarHBondContact O-N 3Å; T237-Q239 VanDerWaalsContact C-N 3.31Å; T237-Q239 PolarHBondContact O-N 3.31Å; Q239-G241 VanDerWaalsContact C-N 3.29Å; Q239-G241 PolarHBondContact O-N 2.93Å; Q239-G241 VanDerWaalsContact O-N 3.08Å
240A45.4Very low52.4Low74 Ų74113 Ų11361%0.61266%0.655SS**  trans-85.859.6-179.700000112.5S236 T237 E242S236-A240 PolarHBondContact O-N 3.23Å; T237-A240 PolarHBondContact O-N 2.84Å; A240-E242 PolarHBondContact O-N 2.85Å
241G44.4Very low50.5Low68 Ų68121.1 Ų121.170%0.70169%0.693SS**THydrogen-bonded Turntrans-66124.4174.900000112.8Q239 G243Q239-G241 VanDerWaalsContact C-N 3.29Å; Q239-G241 PolarHBondContact O-N 2.93Å; Q239-G241 VanDerWaalsContact O-N 3.08Å; G241-G243 PolarHBondContact O-N 2.93Å
242E46Very low48.5Very low208 Ų208126.7 Ų126.797%0.97272%0.716SS**THydrogen-bonded Turntrans5056.5165.8-59-168.3146.300116.7A240A240-E242 PolarHBondContact O-N 2.85Å
243G38.3Very low46.8Very low66 Ų66120.8 Ų120.868%0.6870%0.702SS**  trans-136.6119.3170.300000113.1G241G241-G243 PolarHBondContact O-N 2.93Å
244V48.1Very low45.3Very low153 Ų153123.7 Ų123.793%0.92771%0.71SS**  trans-78.7121.1176.8177.90000110.5
245S35.8Very low44Very low109 Ų109120.9 Ų120.976%0.76270%0.699SS**  trans-132.6102.4163.362.20000110.7D247S245-D247 PolarHBondContact O-N 2.95Å
246D45.3Very low43.2Very low163 Ų163121.5 Ų121.587%0.87271%0.707SS**  trans-76.196.216717631.7000109.1
247D33.5Very low42.8Very low151 Ų151124.6 Ų124.681%0.80772%0.718SS**  trans-146.2104.9169.1-155.3-8.3000110.3S245 R249S245-D247 PolarHBondContact O-N 2.95Å; D247-R249 PolarHBondContact O-N 3.12Å
248G40.8Very low43.1Very low65 Ų65122.3 Ų122.367%0.6770%0.701SS**  trans-81.8101.5-161.200000114.9
249R37.1Very low43.9Very low242 Ų242116.7 Ų116.791%0.91368%0.676SS**  trans-167.876.2162-96.7143.3-167.4-125.79.4113.2D247D247-R249 PolarHBondContact O-N 3.12Å
250S39.2Very low45.2Very low102 Ų102108.7 Ų108.771%0.71364%0.639SS**  trans-159.9-29.4162.5-139.10000117.4D252 S253S250-D252 VanDerWaalsContact C-N 3.26Å; S250-D252 PolarHBondContact O-N 3.21Å; S250-S253 PolarHBondContact O-N 3.4Å
251E35.4Very low46.5Very low191 Ų191109.2 Ų109.289%0.89364%0.638SS**THydrogen-bonded Turntrans-59.8-21.2-167.4-64-73.5102.500116.5S253E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.72Å
252D34.6Very low48.1Very low169 Ų169111.2 Ų111.290%0.90464%0.637SS**THydrogen-bonded Turntrans-84.96-176.1-90.6-40.8000114.7S250 I254S250-D252 VanDerWaalsContact C-N 3.26Å; S250-D252 PolarHBondContact O-N 3.21Å; D252-I254 PolarHBondContact O-N 3.14Å
253S39.3Very low49.8Very low55 Ų55102.7 Ų102.739%0.38560%0.602SS.*  trans-87.5112.9-175.5-159.70000113.2S250 E251 L255 S256S250-S253 PolarHBondContact O-N 3.4Å; E251-S253 VanDerWaalsContact C-N 3.34Å; E251-S253 PolarHBondContact O-N 2.72Å; S253-L255 PolarHBondContact O-N 2.89Å; S253-L255 WeakPolarHBondContact OG-CD1 3.36Å; S253-S256 PolarHBondContact O-N 3.17Å; S253-S256 PolarHBondContact O-OG 2.88Å
254I40.6Very low52Low104 Ų104102 Ų10253%0.53359%0.587SS.*G310 helixtrans-55.7-10.3178.5-63.3167.6000113.8F194 D252 S256F194-I254 HydrophobicContact CD1-CD1 4.12Å; F194-I254 HydrophobicContact CD1-CG2 4.41Å; F194-I254 HydrophobicContact CE1-CD1 3.65Å; D252-I254 PolarHBondContact O-N 3.14Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 PolarHBondContact O-N 3.31Å
255L40.8Very low53.7Low30 Ų3096.5 Ų96.516%0.15756%0.557CS.*G310 helixtrans-68.7-15.7171.1-68.9163.4000114.8F194 P196 Q230 S253 D257F194-L255 WeakPolarHBondContact O-CD2 3.12Å; P196-L255 HydrophobicContact CG-CD1 3.55Å; Q230-L255 PolarHBondContact NE2-O 2.91Å; S253-L255 PolarHBondContact O-N 2.89Å; S253-L255 WeakPolarHBondContact OG-CD1 3.36Å; L255-D257 VanDerWaalsContact C-N 3.26Å; L255-D257 PolarHBondContact O-N 3.26Å
256S47.3Very low56.1Low90 Ų9093.2 Ų93.263%0.62954%0.537SS*.G310 helixtrans-58.2-38.4178.651.90000112.8S253 I254S253-S256 PolarHBondContact O-N 3.17Å; S253-S256 PolarHBondContact O-OG 2.88Å; I254-S256 VanDerWaalsContact C-N 3.27Å; I254-S256 PolarHBondContact O-N 3.31Å
257D50.2Low57.9Low137 Ų13791 Ų9173%0.73352%0.521SS*.SBendtrans-91-15.3-162.7-63.43.6000113.3L255L255-D257 VanDerWaalsContact C-N 3.26Å; L255-D257 PolarHBondContact O-N 3.26Å
258I61.2Low60.4Low59 Ų5984.2 Ų84.230%0.30349%0.485SS..  trans-132.9110.9-173.7-64.6171.6000110.7Q230 L260 A263 L271Q230-I258 PolarHBondContact NE2-O 3.46Å; I258-L260 HydrophobicContact CG2-CD2 4.2Å; I258-L260 PolarHBondContact O-N 3.14Å; I258-A263 HydrophobicContact CG2-CB 4.02Å; I258-L271 HydrophobicContact CD1-CD2 3.91Å
259D70.8Confident62.7Low43 Ų4381.2 Ų81.223%0.2345%0.453CS..  trans-79.6105173.2-179.45.7000111.2K234 S261 T262 A263K234-D259 IonicContact NZ-OD1 3.29Å; K234-D259 PolarHBondContact NZ-OD1 2.83Å; K234-D259 IonicContact NZ-OD2 3.93Å; K234-D259 PolarHBondContact NZ-OD2 2.85Å; D259-S261 VanDerWaalsContact CG-OG 3.25Å; D259-S261 PolarHBondContact O-N 3.38Å; D259-S261 VanDerWaalsContact O-N 3.11Å; D259-S261 WeakPolarHBondContact OD1-CB 3.35Å; D259-S261 PolarHBondContact OD1-N 3.12Å; D259-S261 PolarHBondContact OD1-OG 3.26Å; D259-S261 PolarHBondContact OD2-OG 3.42Å; D259-T262 WeakPolarHBondContact CB-OG1 3.49Å; D259-T262 VanDerWaalsContact CG-OG1 3.25Å; D259-T262 PolarHBondContact O-N 3.17Å; D259-T262 VanDerWaalsContact O-N 3.15Å; D259-T262 PolarHBondContact O-OG1 3.2Å; D259-T262 PolarHBondContact OD2-OG1 3.22Å; D259-A263 VanDerWaalsContact O-CB 3.25Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.98Å
260L74.8Confident65Low4 Ų473.9 Ų73.92%0.02143%0.429CS..THydrogen-bonded Turntrans-69.7-6.7-178.3-58.7172.7000113.5F195 T226 K227 Q230 I258 V268F195-L260 HydrophobicContact CD1-CD1 4.15Å; F195-L260 HydrophobicContact CE1-CD2 4.24Å; T226-L260 HydrophobicContact CG2-CD1 3.55Å; K227-L260 WeakPolarHBondContact CE-O 3.36Å; K227-L260 HydrophobicContact CG-CB 3.78Å; Q230-L260 VanDerWaalsContact OE1-CB 3.25Å; Q230-L260 VanDerWaalsContact OE1-CG 3.32Å; I258-L260 HydrophobicContact CG2-CD2 4.2Å; I258-L260 PolarHBondContact O-N 3.14Å; L260-V268 HydrophobicContact CD2-CG1 4.11Å; L260-V268 HydrophobicContact CD2-CG2 3.87Å
261S72.8Confident66.9Low85 Ų8570.7 Ų70.759%0.59440%0.404SS*.THydrogen-bonded Turntrans-84.1-27.5172.674.80000113.3D259D259-S261 VanDerWaalsContact CG-OG 3.25Å; D259-S261 PolarHBondContact O-N 3.38Å; D259-S261 VanDerWaalsContact O-N 3.11Å; D259-S261 WeakPolarHBondContact OD1-CB 3.35Å; D259-S261 PolarHBondContact OD1-N 3.12Å; D259-S261 PolarHBondContact OD1-OG 3.26Å; D259-S261 PolarHBondContact OD2-OG 3.42Å
262T78.6Confident69.3Low110 Ų11061.6 Ų61.668%0.67536%0.362SS*.THydrogen-bonded Turntrans-112.1-24.5-177.754.40000113.6D259D259-T262 WeakPolarHBondContact CB-OG1 3.49Å; D259-T262 VanDerWaalsContact CG-OG1 3.25Å; D259-T262 PolarHBondContact O-N 3.17Å; D259-T262 VanDerWaalsContact O-N 3.15Å; D259-T262 PolarHBondContact O-OG1 3.2Å; D259-T262 PolarHBondContact OD2-OG1 3.22Å
263A80.8Confident71.6Confident28 Ų2853.5 Ų53.523%0.23132%0.319CS..SBendtrans-62.5137.9177.800000112.6I258 D259 V268I258-A263 HydrophobicContact CG2-CB 4.02Å; D259-A263 VanDerWaalsContact O-CB 3.25Å; D259-A263 WeakPolarHBondContact O-CB 3.49Å; D259-A263 PolarHBondContact O-N 2.98Å; A263-V268 HydrophobicContact CB-CG2 3.85Å
264S84.3Confident73.2Confident53 Ų5353 Ų5337%0.37131%0.313SS..  trans-71154.417675.40000111.6A266 E267 V268S264-A266 PolarHBondContact O-N 2.95Å; S264-A266 VanDerWaalsContact O-N 3.08Å; S264-E267 WeakPolarHBondContact CA-OE2 3.31Å; S264-E267 WeakPolarHBondContact CB-OE2 3.18Å; S264-E267 PolarHBondContact N-OE2 2.59Å; S264-E267 PolarHBondContact O-N 3.16Å; S264-E267 VanDerWaalsContact O-N 3.11Å; S264-E267 PolarHBondContact OG-N 2.97Å; S264-E267 PolarHBondContact OG-OE2 3.36Å; S264-V268 PolarHBondContact O-N 3.01Å
265A84.9Confident74.8Confident36 Ų3648.2 Ų48.230%0.29829%0.289SS..Hα-helixtrans-57.5-25.8175.200000113L269A265-L269 VanDerWaalsContact O-CB 3.3Å; A265-L269 WeakPolarHBondContact O-CB 3.49Å; A265-L269 VanDerWaalsContact O-CD1 3.29Å; A265-L269 WeakPolarHBondContact O-CD1 3.34Å; A265-L269 WeakPolarHBondContact O-CG 3.28Å; A265-L269 PolarHBondContact O-N 2.75Å; A265-L269 VanDerWaalsContact O-N 3.09Å
266A85.3Confident76.4Confident41 Ų4146.8 Ų46.834%0.33928%0.281SS..Hα-helixtrans-72.4-41.1177.100000112.6S264 L269 E270S264-A266 PolarHBondContact O-N 2.95Å; S264-A266 VanDerWaalsContact O-N 3.08Å; A266-L269 PolarHBondContact O-N 3Å; A266-E270 PolarHBondContact O-N 3.12Å
267E83.6Confident77.6Confident117 Ų11747.5 Ų47.555%0.54727%0.273SS..Hα-helixtrans-67.5-45.2178.5-69.7154.9128.300111S264 L269 E270 L271S264-E267 WeakPolarHBondContact CA-OE2 3.31Å; S264-E267 WeakPolarHBondContact CB-OE2 3.18Å; S264-E267 PolarHBondContact N-OE2 2.59Å; S264-E267 PolarHBondContact O-N 3.16Å; S264-E267 VanDerWaalsContact O-N 3.11Å; S264-E267 PolarHBondContact OG-N 2.97Å; S264-E267 PolarHBondContact OG-OE2 3.36Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 3.34Å; E267-E270 PolarHBondContact O-N 3.25Å; E267-E270 VanDerWaalsContact O-N 3.14Å; E267-L271 PolarHBondContact O-N 2.92Å
268V86.3Confident78.1Confident8 Ų851 Ų515%0.04828%0.276CS..Hα-helixtrans-64.6-33.4176-1740000111.1L223 L260 A263 S264 L271 V272 L312L223-V268 HydrophobicContact CD1-CG1 3.69Å; L260-V268 HydrophobicContact CD2-CG1 4.11Å; L260-V268 HydrophobicContact CD2-CG2 3.87Å; A263-V268 HydrophobicContact CB-CG2 3.85Å; S264-V268 PolarHBondContact O-N 3.01Å; V268-L271 PolarHBondContact O-N 3.23Å; V268-V272 WeakPolarHBondContact O-CB 3.46Å; V268-V272 VanDerWaalsContact O-CG2 3.3Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.33Å; V268-L312 HydrophobicContact CB-CD1 3.58Å; V268-L312 HydrophobicContact CG1-CD1 3.51Å; V268-L312 HydrophobicContact CG1-CD2 4.36Å
269L89.6Confident78.2Confident1 Ų150.7 Ų50.71%0.00528%0.278CS..Hα-helixtrans-68.7-34.4172.3-76.4168.2000113.4A265 A266 E267 V272 A273 V288 P295 V297 L312A265-L269 VanDerWaalsContact O-CB 3.3Å; A265-L269 WeakPolarHBondContact O-CB 3.49Å; A265-L269 VanDerWaalsContact O-CD1 3.29Å; A265-L269 WeakPolarHBondContact O-CD1 3.34Å; A265-L269 WeakPolarHBondContact O-CG 3.28Å; A265-L269 PolarHBondContact O-N 2.75Å; A265-L269 VanDerWaalsContact O-N 3.09Å; A266-L269 PolarHBondContact O-N 3Å; E267-L269 VanDerWaalsContact C-N 3.28Å; E267-L269 PolarHBondContact O-N 3.34Å; L269-V272 PolarHBondContact O-N 2.86Å; L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.25Å; L269-A273 PolarHBondContact O-N 2.85Å; L269-V288 HydrophobicContact CB-CG1 3.85Å; L269-V288 HydrophobicContact CB-CG2 4.27Å; L269-V288 HydrophobicContact CD1-CG1 4.35Å; L269-V288 WeakPolarHBondContact O-CG2 3.27Å; L269-P295 VanDerWaalsContact CD1-C 3.44Å; L269-P295 HydrophobicContact CD1-CB 3.29Å; L269-V297 HydrophobicContact CB-CG2 4.02Å; L269-V297 HydrophobicContact CD2-CG2 3.44Å; L269-V297 VanDerWaalsContact CD2-CG2 3.44Å; L269-V297 HydrophobicContact CG-CG2 4.31Å; L269-V297 VanDerWaalsContact O-CG2 3.29Å; L269-V297 WeakPolarHBondContact O-CG2 3.31Å; L269-L312 HydrophobicContact CD2-CD1 4.08Å; L269-L312 HydrophobicContact CD2-CG 3.84Å; L269-L312 HydrophobicContact CG-CD1 3.78Å; L269-L312 HydrophobicContact CG-CG 4.08Å
270E84.3Confident78Confident88 Ų8849.1 Ų49.141%0.41127%0.27SS..Hα-helixtrans-73.5-29.9172.9-80-65.2174.900112.7A266 E267 A273 T274 K277 V288A266-E270 PolarHBondContact O-N 3.12Å; E267-E270 PolarHBondContact O-N 3.25Å; E267-E270 VanDerWaalsContact O-N 3.14Å; E270-A273 PolarHBondContact O-N 3.48Å; E270-T274 WeakPolarHBondContact O-CB 3.43Å; E270-T274 PolarHBondContact O-N 3.42Å; E270-T274 PolarHBondContact O-OG1 3.2Å; E270-K277 IonicContact OE2-NZ 3.33Å; E270-K277 PolarHBondContact OE2-NZ 2.88Å; E270-V288 HydrophobicContact CG-CB 4.41Å; E270-V288 HydrophobicContact CG-CG2 3.82Å; E270-V288 WeakPolarHBondContact OE1-CB 3.39Å; E270-V288 VanDerWaalsContact OE1-CG2 3.3Å; E270-V288 WeakPolarHBondContact OE1-CG2 3.44Å
271L79.5Confident77.5Confident35 Ų3551.3 Ų51.318%0.18329%0.285CS..Hα-helixtrans-63.1-51.2167.1176.361.2000110.8F195 I258 E267 V268 A273 T274 I275F195-L271 HydrophobicContact CE1-CD2 3.64Å; F195-L271 HydrophobicContact CE1-CG 4.5Å; F195-L271 HydrophobicContact CZ-CD2 3.58Å; F195-L271 HydrophobicContact CZ-CG 3.96Å; I258-L271 HydrophobicContact CD1-CD2 3.91Å; E267-L271 PolarHBondContact O-N 2.92Å; V268-L271 PolarHBondContact O-N 3.23Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 2.82Å; L271-T274 CarbonylContact O-C 3.55Å; L271-T274 WeakPolarHBondContact O-CA 3.34Å; L271-T274 WeakPolarHBondContact O-CB 3.22Å; L271-T274 PolarHBondContact O-N 2.99Å; L271-I275 HydrophobicContact CD1-CD1 4.15Å; L271-I275 HydrophobicContact CD1-CG1 4.38Å; L271-I275 HydrophobicContact CG-CD1 3.98Å; L271-I275 WeakPolarHBondContact O-CG1 3.31Å; L271-I275 PolarHBondContact O-N 2.8Å
272V86.4Confident77.3Confident0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-55-45.2173.5166.60000110.9F191 F195 L221 V268 L269 T274 I275 L276 V297 I310 L312F191-V272 HydrophobicContact CE1-CB 4.45Å; F191-V272 HydrophobicContact CE1-CG1 3.96Å; F191-V272 HydrophobicContact CE1-CG2 4.31Å; F191-V272 HydrophobicContact CZ-CG1 3.84Å; F195-V272 HydrophobicContact CE2-CG2 3.91Å; F195-V272 HydrophobicContact CZ-CG2 4.15Å; L221-V272 HydrophobicContact CD2-CG2 3.72Å; V268-V272 WeakPolarHBondContact O-CB 3.46Å; V268-V272 VanDerWaalsContact O-CG2 3.3Å; V268-V272 WeakPolarHBondContact O-CG2 3.42Å; V268-V272 PolarHBondContact O-N 3.33Å; L269-V272 PolarHBondContact O-N 2.86Å; V272-T274 VanDerWaalsContact C-N 3.27Å; V272-T274 PolarHBondContact O-N 2.98Å; V272-I275 PolarHBondContact O-N 3.41Å; V272-L276 HydrophobicContact CG1-CD1 4.46Å; V272-L276 HydrophobicContact CG1-CG 4.5Å; V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 WeakPolarHBondContact O-CG 3.38Å; V272-L276 PolarHBondContact O-N 3.42Å; V272-V297 HydrophobicContact CB-CG2 4.17Å; V272-V297 HydrophobicContact CG1-CB 4.49Å; V272-V297 HydrophobicContact CG1-CG2 3.75Å; V272-I310 HydrophobicContact CG1-CG2 4.36Å; V272-L312 HydrophobicContact CG2-CD2 4.37Å
273A81.6Confident77.2Confident0 Ų044.3 Ų44.30%024%0.24CC..Hα-helixtrans-62.9-33.617600000112.2L269 E270 L271 K277 V286 V288 V297L269-A273 VanDerWaalsContact O-CB 3.26Å; L269-A273 WeakPolarHBondContact O-CB 3.25Å; L269-A273 PolarHBondContact O-N 2.85Å; E270-A273 PolarHBondContact O-N 3.48Å; L271-A273 VanDerWaalsContact C-N 3.29Å; L271-A273 PolarHBondContact O-N 2.82Å; A273-K277 WeakPolarHBondContact O-CB 3.44Å; A273-K277 WeakPolarHBondContact O-CD 3.33Å; A273-K277 VanDerWaalsContact O-CE 3.29Å; A273-K277 WeakPolarHBondContact O-CE 3.41Å; A273-K277 WeakPolarHBondContact O-CG 3.36Å; A273-K277 PolarHBondContact O-N 3Å; A273-V286 HydrophobicContact CB-CG1 3.83Å; A273-V288 HydrophobicContact CB-CG2 3.63Å; A273-V297 HydrophobicContact CB-CG1 3.68Å; A273-V297 HydrophobicContact CB-CG2 4.31Å
274T72.9Confident77.1Confident44 Ų4445.9 Ų45.927%0.2724%0.242SC..Hα-helixtrans-72.8-40.8177-61.90000112E270 L271 V272 K277 R278E270-T274 WeakPolarHBondContact O-CB 3.43Å; E270-T274 PolarHBondContact O-N 3.42Å; E270-T274 PolarHBondContact O-OG1 3.2Å; L271-T274 CarbonylContact O-C 3.55Å; L271-T274 WeakPolarHBondContact O-CA 3.34Å; L271-T274 WeakPolarHBondContact O-CB 3.22Å; L271-T274 PolarHBondContact O-N 2.99Å; V272-T274 VanDerWaalsContact C-N 3.27Å; V272-T274 PolarHBondContact O-N 2.98Å; T274-K277 PolarHBondContact O-N 2.86Å; T274-R278 HydrophobicContact CG2-CG 4.49Å; T274-R278 WeakPolarHBondContact O-CB 3.5Å; T274-R278 WeakPolarHBondContact O-CG 3.36Å; T274-R278 PolarHBondContact O-N 2.81Å
275I74.3Confident77.2Confident4 Ų450 Ų502%0.02125%0.253CS..Hα-helixtrans-60.6-48.2171.7-64.8161000110.1V190 F191 F194 F195 L271 V272 K277 R278 C279V190-I275 HydrophobicContact CG1-CG2 3.66Å; F191-I275 HydrophobicContact CD1-CD1 4.47Å; F191-I275 HydrophobicContact CD1-CG2 4.08Å; F191-I275 HydrophobicContact CE1-CB 4.23Å; F191-I275 HydrophobicContact CE1-CD1 4.5Å; F191-I275 HydrophobicContact CE1-CG2 3.86Å; F194-I275 HydrophobicContact CB-CD1 3.61Å; F194-I275 HydrophobicContact CB-CG1 4.43Å; F194-I275 HydrophobicContact CD1-CD1 3.93Å; F194-I275 HydrophobicContact CD1-CG1 3.91Å; F194-I275 HydrophobicContact CD2-CD1 4.05Å; F194-I275 HydrophobicContact CD2-CG1 4.04Å; F194-I275 HydrophobicContact CD2-CG2 3.78Å; F194-I275 HydrophobicContact CE1-CG1 4.17Å; F194-I275 HydrophobicContact CE2-CG1 4.33Å; F194-I275 HydrophobicContact CE2-CG2 3.88Å; F194-I275 HydrophobicContact CG-CD1 3.58Å; F194-I275 HydrophobicContact CG-CG1 3.85Å; F194-I275 HydrophobicContact CG-CG2 4.42Å; F194-I275 HydrophobicContact CZ-CG1 4.4Å; F195-I275 HydrophobicContact CD2-CD1 4.49Å; F195-I275 HydrophobicContact CE2-CD1 3.63Å; F195-I275 HydrophobicContact CZ-CD1 3.89Å; L271-I275 HydrophobicContact CD1-CD1 4.15Å; L271-I275 HydrophobicContact CD1-CG1 4.38Å; L271-I275 HydrophobicContact CG-CD1 3.98Å; L271-I275 WeakPolarHBondContact O-CG1 3.31Å; L271-I275 PolarHBondContact O-N 2.8Å; V272-I275 PolarHBondContact O-N 3.41Å; I275-K277 VanDerWaalsContact C-N 3.29Å; I275-K277 PolarHBondContact O-N 2.9Å; I275-R278 PolarHBondContact O-N 2.98Å; I275-C279 HydrophobicContact CG2-CB 4.25Å; I275-C279 WeakPolarHBondContact O-CB 3.3Å; I275-C279 PolarHBondContact O-N 2.85Å
276L75.4Confident77.4Confident0 Ų049.2 Ų49.20%025%0.245CC..Hα-helixtrans-59.3-34.6174.5-73.3-174.1000113.4L187 F191 V272 V280 V283 V286 V297 Y299 I310L187-L276 HydrophobicContact CD2-CD2 3.58Å; F191-L276 HydrophobicContact CE2-CD2 4.41Å; F191-L276 HydrophobicContact CZ-CD2 3.79Å; F191-L276 HydrophobicContact CZ-CG 4.14Å; V272-L276 HydrophobicContact CG1-CD1 4.46Å; V272-L276 HydrophobicContact CG1-CG 4.5Å; V272-L276 WeakPolarHBondContact O-CB 3.46Å; V272-L276 WeakPolarHBondContact O-CG 3.38Å; V272-L276 PolarHBondContact O-N 3.42Å; L276-V280 HydrophobicContact CD2-CB 4.43Å; L276-V280 HydrophobicContact CD2-CG2 3.81Å; L276-V283 HydrophobicContact CB-CG1 4.25Å; L276-V286 HydrophobicContact CB-CG1 3.85Å; L276-V286 HydrophobicContact CB-CG2 4.01Å; L276-V286 HydrophobicContact CD1-CG1 3.93Å; L276-V297 HydrophobicContact CD1-CB 4.45Å; L276-V297 HydrophobicContact CD1-CG1 3.91Å; L276-Y299 HydrophobicContact CD1-CD1 4.08Å; L276-Y299 HydrophobicContact CD1-CG 4.18Å; L276-I310 HydrophobicContact CD1-CD1 3.91Å; L276-I310 HydrophobicContact CD2-CD1 4.08Å; L276-I310 HydrophobicContact CG-CD1 4.43Å
277K71.6Confident77.5Confident104 Ų10451.9 Ų51.945%0.45225%0.25SC..Hα-helixtrans-75.5-30.8178.6-71.4157.3-157161.20112.9E270 A273 T274 I275 V286E270-K277 IonicContact OE2-NZ 3.33Å; E270-K277 PolarHBondContact OE2-NZ 2.88Å; A273-K277 WeakPolarHBondContact O-CB 3.44Å; A273-K277 WeakPolarHBondContact O-CD 3.33Å; A273-K277 VanDerWaalsContact O-CE 3.29Å; A273-K277 WeakPolarHBondContact O-CE 3.41Å; A273-K277 WeakPolarHBondContact O-CG 3.36Å; A273-K277 PolarHBondContact O-N 3Å; T274-K277 PolarHBondContact O-N 2.86Å; I275-K277 VanDerWaalsContact C-N 3.29Å; I275-K277 PolarHBondContact O-N 2.9Å; K277-V286 HydrophobicContact CD-CB 4.42Å; K277-V286 WeakPolarHBondContact CE-O 3.33Å; K277-V286 HydrophobicContact CG-CB 3.71Å; K277-V286 HydrophobicContact CG-CG1 4.2Å; K277-V286 HydrophobicContact CG-CG2 3.98Å
278R62.5Low77.8Confident210 Ų21047.5 Ų47.579%0.79223%0.231SC*.Hα-helixtrans-106.2-37.6-170-68.4-177.8177.8-178.20.9114.4T274 I275T274-R278 HydrophobicContact CG2-CG 4.49Å; T274-R278 WeakPolarHBondContact O-CB 3.5Å; T274-R278 WeakPolarHBondContact O-CG 3.36Å; T274-R278 PolarHBondContact O-N 2.81Å; I275-R278 PolarHBondContact O-N 2.98Å
279C62.9Low78Confident53 Ų5348.9 Ų48.936%0.35824%0.24SC..THydrogen-bonded Turntrans-111-33.6-163.1-56.40000113.2V190 F194 I275 P281V190-C279 HydrophobicContact CG1-CB 3.87Å; F194-C279 HydrophobicContact CE2-CB 4.2Å; F194-C279 HydrophobicContact CZ-CB 4.45Å; F194-C279 WeakPolarHBondContact CZ-SG 3.47Å; I275-C279 HydrophobicContact CG2-CB 4.25Å; I275-C279 WeakPolarHBondContact O-CB 3.3Å; I275-C279 PolarHBondContact O-N 2.85Å; C279-P281 WeakPolarHBondContact O-CD 3.43Å
280V66.8Low77.9Confident10 Ų1052.1 Ų52.16%0.06126%0.262CS..SBendtrans-83.4119-178.5-172.20000110.7L186 L187 V190 L276 V283L186-V280 HydrophobicContact CD2-CG1 4.19Å; L186-V280 HydrophobicContact CG-CG1 4.41Å; L187-V280 HydrophobicContact CD2-CB 4.41Å; L187-V280 HydrophobicContact CD2-CG1 3.83Å; L187-V280 HydrophobicContact CD2-CG2 3.76Å; V190-V280 HydrophobicContact CB-CG2 4.18Å; V190-V280 HydrophobicContact CG1-CG2 3.81Å; V190-V280 HydrophobicContact CG2-CG2 4.26Å; L276-V280 HydrophobicContact CD2-CB 4.43Å; L276-V280 HydrophobicContact CD2-CG2 3.81Å; V280-V283 HydrophobicContact CB-CB 4.3Å; V280-V283 HydrophobicContact CB-CG2 4.08Å; V280-V283 HydrophobicContact CG1-CB 4.24Å; V280-V283 HydrophobicContact CG1-CG2 3.52Å
281P62.6Low77.8Confident51 Ų5154.3 Ų54.333%0.33128%0.282SS..THydrogen-bonded Turntrans-65.4145-178.627.3-34.3000111.6L186 C279 V283L186-P281 HydrophobicContact CD1-CG 4.17Å; L186-P281 HydrophobicContact CD2-CG 3.95Å; C279-P281 WeakPolarHBondContact O-CD 3.43Å; P281-V283 PolarHBondContact O-N 2.81Å
282S70.1Confident78Confident29 Ų2954.5 Ų54.520%0.20329%0.288CS..THydrogen-bonded Turntrans588.8174.4-71.50000116.7R302 E303S282-R302 VanDerWaalsContact O-CB 3.22Å; S282-R302 WeakPolarHBondContact O-CB 3.32Å; S282-R302 PolarHBondContact O-N 3.41Å; S282-E303 WeakPolarHBondContact CB-OE1 3.32Å; S282-E303 PolarHBondContact OG-OE1 3.43Å
283V75.3Confident77.8Confident18 Ų1860.8 Ų60.811%0.10931%0.312CS..EExtended strand (participates in β ladder)trans-78.6140.3163.7167.80000110.5L276 V280 P281 V286 Y299L276-V283 HydrophobicContact CB-CG1 4.25Å; V280-V283 HydrophobicContact CB-CB 4.3Å; V280-V283 HydrophobicContact CB-CG2 4.08Å; V280-V283 HydrophobicContact CG1-CB 4.24Å; V280-V283 HydrophobicContact CG1-CG2 3.52Å; P281-V283 PolarHBondContact O-N 2.81Å; V283-V286 HydrophobicContact CG1-CG2 3.5Å; V283-V286 VanDerWaalsContact CG1-CG2 3.5Å; V283-Y299 HydrophobicContact CB-CD2 4.46Å; V283-Y299 HydrophobicContact CG1-CD2 3.79Å; V283-Y299 HydrophobicContact CG1-CG 4.23Å; V283-Y299 HydrophobicContact CG2-CD2 3.86Å; V283-Y299 HydrophobicContact CG2-CE2 4.08Å
284H79.8Confident78Confident62 Ų6263.4 Ų63.429%0.28733%0.326SS..EExtended strand (participates in β ladder)trans-154.8179.2174.866.341.7000112.2V286 H300H284-V286 PolarHBondContact O-N 2.79Å; H284-H300 AromaticContact CE1-CE1 3.78Å; H284-H300 AromaticContact CE1-CG 3.6Å; H284-H300 AromaticContact CE1-ND1 2.98Å; H284-H300 PolarHBondContact CE1-ND1 2.56Å; H284-H300 PolarHBondContact N-O 2.68Å; H284-H300 AromaticContact ND1-ND1 3.66Å; H284-H300 PolarHBondContact ND1-O 3.41Å; H284-H300 AromaticContact NE2-ND1 3.57Å; H284-H300 PolarHBondContact O-N 3.28Å
285K86Confident78.9Confident138 Ų13863.3 Ų63.360%0.633%0.326SS*.EExtended strand (participates in β ladder)trans56.328.9-174.9-63.3172.9177.3176.80113.3H287 H300K285-H287 PolarHBondContact O-N 3.4Å; K285-H287 PolarHBondContact O-ND1 2.77Å; K285-H300 HydrophobicContact CD-CB 4.39Å
286V88Confident79.8Confident20 Ų2063.5 Ų63.512%0.12133%0.327CS..EExtended strand (participates in β ladder)trans-69.9122-177.8-168.70000110.1A273 L276 K277 V283 H284 V297 K298A273-V286 HydrophobicContact CB-CG1 3.83Å; L276-V286 HydrophobicContact CB-CG1 3.85Å; L276-V286 HydrophobicContact CB-CG2 4.01Å; L276-V286 HydrophobicContact CD1-CG1 3.93Å; K277-V286 HydrophobicContact CD-CB 4.42Å; K277-V286 WeakPolarHBondContact CE-O 3.33Å; K277-V286 HydrophobicContact CG-CB 3.71Å; K277-V286 HydrophobicContact CG-CG1 4.2Å; K277-V286 HydrophobicContact CG-CG2 3.98Å; V283-V286 HydrophobicContact CG1-CG2 3.5Å; V283-V286 VanDerWaalsContact CG1-CG2 3.5Å; H284-V286 PolarHBondContact O-N 2.79Å; V286-V297 HydrophobicContact CG1-CG1 3.51Å; V286-K298 CarbonylContact C-O 3.58Å; V286-K298 VanDerWaalsContact CA-O 3.29Å; V286-K298 WeakPolarHBondContact CA-O 3.5Å
287H88.9Confident80.7Confident97 Ų9763.5 Ų63.545%0.44933%0.327SS..EExtended strand (participates in β ladder)trans-146.8142.4176.659-71.2000110.9K285 K298K285-H287 PolarHBondContact O-N 3.4Å; K285-H287 PolarHBondContact O-ND1 2.77Å; H287-K298 VanDerWaalsContact CE1-CB 3.41Å; H287-K298 WeakPolarHBondContact CE1-CB 3.37Å; H287-K298 PolarHBondContact N-O 2.69Å; H287-K298 PolarHBondContact ND1-O 3.01Å; H287-K298 PolarHBondContact O-N 3.38Å
288V90.3Very high81.8Confident25 Ų2561.8 Ų61.815%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-85.2141.6173.8-1760000109.6L269 E270 A273 V297L269-V288 HydrophobicContact CB-CG1 3.85Å; L269-V288 HydrophobicContact CB-CG2 4.27Å; L269-V288 HydrophobicContact CD1-CG1 4.35Å; L269-V288 WeakPolarHBondContact O-CG2 3.27Å; E270-V288 HydrophobicContact CG-CB 4.41Å; E270-V288 HydrophobicContact CG-CG2 3.82Å; E270-V288 WeakPolarHBondContact OE1-CB 3.39Å; E270-V288 VanDerWaalsContact OE1-CG2 3.3Å; E270-V288 WeakPolarHBondContact OE1-CG2 3.44Å; A273-V288 HydrophobicContact CB-CG2 3.63Å; V288-V297 HydrophobicContact CG2-CG1 4.44Å; V288-V297 HydrophobicContact CG2-CG2 4.15Å
289V89.6Confident83.2Confident38 Ų3852.2 Ų52.223%0.2328%0.284CS..EExtended strand (participates in β ladder)trans-118.980.8171.3-173.40000107.6T291 A292 V296 K298V289-T291 VanDerWaalsContact C-N 3.3Å; V289-T291 PolarHBondContact O-N 2.67Å; V289-A292 HydrophobicContact CG1-CB 4.13Å; V289-V296 HydrophobicContact CB-CG1 3.93Å; V289-V296 PolarHBondContact N-O 3.27Å; V289-V296 PolarHBondContact O-N 3.44Å; V289-K298 HydrophobicContact CG2-CD 4Å; V289-K298 HydrophobicContact CG2-CG 4.1Å
290S86.6Confident84.5Confident68 Ų6850.1 Ų50.148%0.47627%0.269SS..THydrogen-bonded Turntrans-75.2-16-177.951.50000114
291T83.8Confident85.2Confident134 Ų13450.4 Ų50.482%0.82227%0.269SS*.THydrogen-bonded Turntrans-89.52.8-178.6540000114.3V289V289-T291 VanDerWaalsContact C-N 3.3Å; V289-T291 PolarHBondContact O-N 2.67Å
292A82.1Confident86Confident39 Ų3956.2 Ų56.232%0.32229%0.285SS..SBendtrans-80.7157.4173.200000111.5V289 L294V289-A292 HydrophobicContact CG1-CB 4.13Å; A292-L294 WeakPolarHBondContact CB-O 3.46Å; A292-L294 PolarHBondContact O-N 3.19Å
293R82.2Confident86.2Confident133 Ų13358.4 Ų58.450%0.50229%0.292SS..SBendtrans-50.4-43.9174.4175.5-173.1167.5-109-32.6111.7E487 H490R293-E487 IonicContact CZ-OE1 2.84Å; R293-E487 IonicContact CZ-OE2 2.68Å; R293-E487 IonicContact NH1-OE2 3.2Å; R293-E487 PolarHBondContact NH1-OE2 3.43Å; R293-E487 IonicContact NH2-OE1 2.67Å; R293-E487 PolarHBondContact NH2-OE1 2.86Å; R293-E487 IonicContact NH2-OE2 3.79Å; R293-E487 PolarHBondContact NH2-OE2 3.46Å; R293-H490 PolarHBondContact NH1-CD2 2.8Å; R293-H490 PolarHBondContact NH1-CE1 2.94Å; R293-H490 VanDerWaalsContact NH1-CG 3.34Å; R293-H490 PolarHBondContact NH1-ND1 3.21Å; R293-H490 PolarHBondContact NH1-NE2 3.31Å
294L86.8Confident86.2Confident55 Ų5561.4 Ų61.429%0.28831%0.307SS..SBendtrans-113.8108.1169.8-63.1177.1000107A292 N314A292-L294 WeakPolarHBondContact CB-O 3.46Å; A292-L294 PolarHBondContact O-N 3.19Å; L294-N314 HydrophobicContact CD1-CB 4.46Å
295P90.7Very high86.2Confident41 Ų4161.2 Ų61.227%0.26631%0.308SS..  trans-55136.9174.8-31.939.9000112.4L269L269-P295 VanDerWaalsContact CD1-C 3.44Å; L269-P295 HydrophobicContact CD1-CB 3.29Å
296V93.6Very high86.2Confident9 Ų955.1 Ų55.16%0.05528%0.282CS..EExtended strand (participates in β ladder)trans-144.6141.9-168.860.70000112.2V289 K298 D309 I310 T311V289-V296 HydrophobicContact CB-CG1 3.93Å; V289-V296 PolarHBondContact N-O 3.27Å; V289-V296 PolarHBondContact O-N 3.44Å; V296-K298 HydrophobicContact CG1-CG 4.33Å; V296-D309 HydrophobicContact CG2-CB 3.64Å; V296-I310 CarbonylContact C-O 3.59Å; V296-I310 WeakPolarHBondContact CA-O 3.27Å; V296-I310 WeakPolarHBondContact CG2-O 3.44Å; V296-T311 HydrophobicContact CB-CG2 3.9Å; V296-T311 HydrophobicContact CG2-CG2 3.82Å
297V95.4Very high86.3Confident0 Ų058 Ų580%029%0.294CS..EExtended strand (participates in β ladder)trans-91.4116.8163.7-164.90000109.6L269 V272 A273 L276 V286 V288 D309 I310L269-V297 HydrophobicContact CB-CG2 4.02Å; L269-V297 HydrophobicContact CD2-CG2 3.44Å; L269-V297 VanDerWaalsContact CD2-CG2 3.44Å; L269-V297 HydrophobicContact CG-CG2 4.31Å; L269-V297 VanDerWaalsContact O-CG2 3.29Å; L269-V297 WeakPolarHBondContact O-CG2 3.31Å; V272-V297 HydrophobicContact CB-CG2 4.17Å; V272-V297 HydrophobicContact CG1-CB 4.49Å; V272-V297 HydrophobicContact CG1-CG2 3.75Å; A273-V297 HydrophobicContact CB-CG1 3.68Å; A273-V297 HydrophobicContact CB-CG2 4.31Å; L276-V297 HydrophobicContact CD1-CB 4.45Å; L276-V297 HydrophobicContact CD1-CG1 3.91Å; V286-V297 HydrophobicContact CG1-CG1 3.51Å; V288-V297 HydrophobicContact CG2-CG1 4.44Å; V288-V297 HydrophobicContact CG2-CG2 4.15Å; V297-D309 WeakPolarHBondContact O-CA 3.43Å; V297-I310 HydrophobicContact CB-CB 4.49Å; V297-I310 PolarHBondContact N-O 2.85Å; V297-I310 PolarHBondContact O-N 2.9Å
298K94.4Very high86.5Confident68 Ų6853.4 Ų53.430%0.29627%0.272SS..EExtended strand (participates in β ladder)trans-91.6132.2173.6-65.6-163.6160.2-75.10110.3V286 H287 V289 V296 D309V286-K298 CarbonylContact C-O 3.58Å; V286-K298 VanDerWaalsContact CA-O 3.29Å; V286-K298 WeakPolarHBondContact CA-O 3.5Å; H287-K298 VanDerWaalsContact CE1-CB 3.41Å; H287-K298 WeakPolarHBondContact CE1-CB 3.37Å; H287-K298 PolarHBondContact N-O 2.69Å; H287-K298 PolarHBondContact ND1-O 3.01Å; H287-K298 PolarHBondContact O-N 3.38Å; V289-K298 HydrophobicContact CG2-CD 4Å; V289-K298 HydrophobicContact CG2-CG 4.1Å; V296-K298 HydrophobicContact CG1-CG 4.33Å; K298-D309 WeakPolarHBondContact CG-OD1 3.46Å; K298-D309 IonicContact NZ-OD1 3.71Å; K298-D309 PolarHBondContact NZ-OD1 3.19Å; K298-D309 IonicContact NZ-OD2 2.76Å; K298-D309 PolarHBondContact NZ-OD2 3.21Å
299Y92.1Very high86.7Confident8 Ų853.8 Ų53.83%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-141.5171.1178.275.7-81.8000112.6L187 L219 L276 V283 H301 H307 G308 I310L187-Y299 WeakPolarHBondContact CD1-OH 3.22Å; L219-Y299 HydrophobicContact CD1-CE1 4.43Å; L219-Y299 WeakPolarHBondContact CD1-OH 3.36Å; L276-Y299 HydrophobicContact CD1-CD1 4.08Å; L276-Y299 HydrophobicContact CD1-CG 4.18Å; V283-Y299 HydrophobicContact CB-CD2 4.46Å; V283-Y299 HydrophobicContact CG1-CD2 3.79Å; V283-Y299 HydrophobicContact CG1-CG 4.23Å; V283-Y299 HydrophobicContact CG2-CD2 3.86Å; V283-Y299 HydrophobicContact CG2-CE2 4.08Å; Y299-H301 HydrophobicContact CE2-CB 4.46Å; Y299-H307 WeakPolarHBondContact O-CA 3.49Å; Y299-G308 VanDerWaalsContact CD1-C 3.47Å; Y299-G308 WeakPolarHBondContact CD1-O 3.36Å; Y299-G308 VanDerWaalsContact CE1-CA 3.49Å; Y299-G308 PolarHBondContact N-O 3.41Å; Y299-G308 PolarHBondContact O-N 3.45Å; Y299-I310 HydrophobicContact CD1-CD1 4.39Å; Y299-I310 HydrophobicContact CD1-CG1 4.04Å; Y299-I310 HydrophobicContact CE1-CD1 3.96Å; Y299-I310 HydrophobicContact CE1-CG1 3.65Å
300H89.2Confident87Confident10 Ų1052 Ų525%0.04626%0.263CS..EExtended strand (participates in β ladder)trans-137.4121.8172.8175.7-75.7000111.3H284 K285 L306 H307H284-H300 AromaticContact CE1-CE1 3.78Å; H284-H300 AromaticContact CE1-CG 3.6Å; H284-H300 AromaticContact CE1-ND1 2.98Å; H284-H300 PolarHBondContact CE1-ND1 2.56Å; H284-H300 PolarHBondContact N-O 2.68Å; H284-H300 AromaticContact ND1-ND1 3.66Å; H284-H300 PolarHBondContact ND1-O 3.41Å; H284-H300 AromaticContact NE2-ND1 3.57Å; H284-H300 PolarHBondContact O-N 3.28Å; K285-H300 HydrophobicContact CD-CB 4.39Å; H300-L306 CarbonylContact C-O 3.57Å; H300-L306 WeakPolarHBondContact CA-O 3.46Å; H300-H307 AromaticContact CD2-CD2 3.64Å; H300-H307 AromaticContact CD2-CE1 3.7Å; H300-H307 AromaticContact CD2-CG 3.93Å; H300-H307 AromaticContact CD2-ND1 3.98Å; H300-H307 AromaticContact CD2-NE2 3.47Å; H300-H307 PolarHBondContact CD2-NE2 3.46Å
301H82.6Confident87.4Confident15 Ų1549.1 Ų49.17%0.06924%0.242CC..EExtended strand (participates in β ladder)trans-83.3112.2173-173.6-103.7000110.7Y299 E303 N305 L306Y299-H301 HydrophobicContact CE2-CB 4.46Å; H301-E303 PolarHBondContact O-N 2.93Å; H301-N305 WeakPolarHBondContact O-CA 3.45Å; H301-N305 PolarHBondContact O-N 2.92Å; H301-L306 PolarHBondContact N-O 2.99Å; H301-L306 PolarHBondContact O-N 2.98Å
302R77.5Confident87.6Confident173 Ų17343.5 Ų43.565%0.65321%0.207SC*.THydrogen-bonded Turntrans-61-46.7-167.2-171.8179179174-1.2114S282 N305S282-R302 VanDerWaalsContact O-CB 3.22Å; S282-R302 WeakPolarHBondContact O-CB 3.32Å; S282-R302 PolarHBondContact O-N 3.41Å; R302-N305 PolarHBondContact O-N 2.92Å
303E74.9Confident87.4Confident75 Ų7546.8 Ų46.835%0.3522%0.22SC..THydrogen-bonded Turntrans-75.8-29.9-169.5-67177.1-148.300113.1L131 S282 H301L131-E303 HydrophobicContact CD2-CB 4.19Å; L131-E303 HydrophobicContact CD2-CG 4.06Å; S282-E303 WeakPolarHBondContact CB-OE1 3.32Å; S282-E303 PolarHBondContact OG-OE1 3.43Å; H301-E303 PolarHBondContact O-N 2.93Å
304L74.8Confident87.6Confident81 Ų8141.3 Ų41.342%0.42420%0.2SC..THydrogen-bonded Turntrans-95.9-4176-60.3173.6000112.8A179 V183 L306A179-L304 HydrophobicContact CB-CD1 4.1Å; A179-L304 HydrophobicContact CB-CD2 4.07Å; V183-L304 HydrophobicContact CG2-CD1 3.43Å; V183-L304 VanDerWaalsContact CG2-CD1 3.43Å; L304-L306 VanDerWaalsContact C-N 3.26Å; L304-L306 HydrophobicContact CB-CB 4.23Å; L304-L306 PolarHBondContact O-N 3.29Å
305N80.4Confident87.9Confident59 Ų5942.3 Ų42.332%0.31620%0.2SC..THydrogen-bonded Turntrans48.248.9-174-166.995.3000112H301 R302H301-N305 WeakPolarHBondContact O-CA 3.45Å; H301-N305 PolarHBondContact O-N 2.92Å; R302-N305 PolarHBondContact O-N 2.92Å
306L86Confident88Confident10 Ų1041 Ų415%0.05219%0.191CC..EExtended strand (participates in β ladder)trans-114.9123.1-172.6-176.559.8000109.2R180 C215 L217 H300 H301 L304R180-L306 HydrophobicContact CG-CD2 3.99Å; C215-L306 WeakPolarHBondContact O-CD1 3.35Å; L217-L306 HydrophobicContact CB-CD1 4.26Å; L217-L306 HydrophobicContact CB-CD2 3.98Å; L217-L306 HydrophobicContact CB-CG 4.04Å; L217-L306 HydrophobicContact CD2-CD2 3.78Å; L217-L306 HydrophobicContact CG-CD2 4.34Å; H300-L306 CarbonylContact C-O 3.57Å; H300-L306 WeakPolarHBondContact CA-O 3.46Å; H301-L306 PolarHBondContact N-O 2.99Å; H301-L306 PolarHBondContact O-N 2.98Å; L304-L306 VanDerWaalsContact C-N 3.26Å; L304-L306 HydrophobicContact CB-CB 4.23Å; L304-L306 PolarHBondContact O-N 3.29Å
307H90.6Very high88.1Confident80 Ų8041.1 Ų41.137%0.3719%0.194SC..EExtended strand (participates in β ladder)trans-82.2147167.7-56.784.9000108.6D216 L217 Y299 H300D216-H307 WeakPolarHBondContact CA-O 3.38Å; L217-H307 PolarHBondContact N-O 2.93Å; Y299-H307 WeakPolarHBondContact O-CA 3.49Å; H300-H307 AromaticContact CD2-CD2 3.64Å; H300-H307 AromaticContact CD2-CE1 3.7Å; H300-H307 AromaticContact CD2-CG 3.93Å; H300-H307 AromaticContact CD2-ND1 3.98Å; H300-H307 AromaticContact CD2-NE2 3.47Å; H300-H307 PolarHBondContact CD2-NE2 3.46Å
308G92.1Very high88.1Confident0 Ų041.7 Ų41.70%020%0.198CC..EExtended strand (participates in β ladder)trans-146.7154.5177.700000112.1L217 Y299L217-G308 WeakPolarHBondContact O-CA 3.48Å; Y299-G308 VanDerWaalsContact CD1-C 3.47Å; Y299-G308 WeakPolarHBondContact CD1-O 3.36Å; Y299-G308 VanDerWaalsContact CE1-CA 3.49Å; Y299-G308 PolarHBondContact N-O 3.41Å; Y299-G308 PolarHBondContact O-N 3.45Å
309D95.1Very high88.2Confident33 Ų3339.6 Ų39.618%0.17619%0.188CC..EExtended strand (participates in β ladder)trans-130.7112.9-171.8-90.932.3000107.9L217 L219 V296 V297 K298L217-D309 PolarHBondContact O-N 3.05Å; L219-D309 PolarHBondContact N-O 3.16Å; V296-D309 HydrophobicContact CG2-CB 3.64Å; V297-D309 WeakPolarHBondContact O-CA 3.43Å; K298-D309 WeakPolarHBondContact CG-OD1 3.46Å; K298-D309 IonicContact NZ-OD1 3.71Å; K298-D309 PolarHBondContact NZ-OD1 3.19Å; K298-D309 IonicContact NZ-OD2 2.76Å; K298-D309 PolarHBondContact NZ-OD2 3.21Å
310I96Very high88.5Confident0 Ų039.7 Ų39.70%019%0.189CC..EExtended strand (participates in β ladder)trans-103124.9178.1-47.2-164.1000110.3L187 F191 I200 L219 L221 V272 L276 V296 V297 Y299L187-I310 HydrophobicContact CD1-CD1 4.38Å; F191-I310 HydrophobicContact CE2-CD1 3.83Å; F191-I310 HydrophobicContact CZ-CD1 3.94Å; I200-I310 HydrophobicContact CD1-CD1 4.37Å; L219-I310 HydrophobicContact CB-CG1 4.27Å; L219-I310 HydrophobicContact CD1-CD1 4.39Å; L219-I310 HydrophobicContact CD1-CG1 4.31Å; L219-I310 CarbonylContact O-C 3.58Å; L219-I310 WeakPolarHBondContact O-CA 3.38Å; L221-I310 HydrophobicContact CB-CG2 3.86Å; V272-I310 HydrophobicContact CG1-CG2 4.36Å; L276-I310 HydrophobicContact CD1-CD1 3.91Å; L276-I310 HydrophobicContact CD2-CD1 4.08Å; L276-I310 HydrophobicContact CG-CD1 4.43Å; V296-I310 CarbonylContact C-O 3.59Å; V296-I310 WeakPolarHBondContact CA-O 3.27Å; V296-I310 WeakPolarHBondContact CG2-O 3.44Å; V297-I310 HydrophobicContact CB-CB 4.49Å; V297-I310 PolarHBondContact N-O 2.85Å; V297-I310 PolarHBondContact O-N 2.9Å; Y299-I310 HydrophobicContact CD1-CD1 4.39Å; Y299-I310 HydrophobicContact CD1-CG1 4.04Å; Y299-I310 HydrophobicContact CE1-CD1 3.96Å; Y299-I310 HydrophobicContact CE1-CG1 3.65Å
311T94.4Very high88.9Confident8 Ų839.6 Ų39.65%0.04919%0.189CC..EExtended strand (participates in β ladder)trans-120.2148.3179.953.90000111L219 F220 L221 V296 N314L219-T311 PolarHBondContact O-N 2.81Å; L219-T311 PolarHBondContact O-OG1 3.41Å; L219-T311 VanDerWaalsContact O-OG1 3.11Å; F220-T311 CarbonylContact C-O 3.59Å; F220-T311 WeakPolarHBondContact CA-O 3.38Å; L221-T311 PolarHBondContact N-O 2.96Å; V296-T311 HydrophobicContact CB-CG2 3.9Å; V296-T311 HydrophobicContact CG2-CG2 3.82Å; T311-N314 WeakPolarHBondContact OG1-CB 3.39Å
312L89.2Confident89.6Confident16 Ų1645.1 Ų45.18%0.08421%0.209CC..SBendtrans-99.9-25.1-178.4-65.7179.2000114.8F220 L221 L223 V268 L269 V272F220-L312 VanDerWaalsContact CE2-O 3.23Å; F220-L312 WeakPolarHBondContact CE2-O 3.48Å; L221-L312 HydrophobicContact CB-CD2 4.18Å; L221-L312 HydrophobicContact CD2-CD2 4.08Å; L221-L312 HydrophobicContact CG-CD2 4.26Å; L223-L312 HydrophobicContact CD1-CD2 3.82Å; L223-L312 HydrophobicContact CG-CD2 4.4Å; V268-L312 HydrophobicContact CB-CD1 3.58Å; V268-L312 HydrophobicContact CG1-CD1 3.51Å; V268-L312 HydrophobicContact CG1-CD2 4.36Å; L269-L312 HydrophobicContact CD2-CD1 4.08Å; L269-L312 HydrophobicContact CD2-CG 3.84Å; L269-L312 HydrophobicContact CG-CD1 3.78Å; L269-L312 HydrophobicContact CG-CG 4.08Å; V272-L312 HydrophobicContact CG2-CD2 4.37Å
313N77.6Confident90.6Very high109 Ų10936.9 Ų36.958%0.58318%0.178SC*.SBendtrans-132.572.1-172.7-64.7-6.5000108.9
314N86.7Confident91.8Very high17 Ų1733.3 Ų33.39%0.09116%0.162CC..  trans-146.743.7-175.6-163.713000113.2F203 F220 L294 T311 L316 G317 V318F203-N314 WeakPolarHBondContact CE2-ND2 3.27Å; F203-N314 WeakPolarHBondContact CZ-ND2 3.1Å; F220-N314 HydrophobicContact CD2-CB 4.04Å; F220-N314 VanDerWaalsContact CE2-N 3.29Å; L294-N314 HydrophobicContact CD1-CB 4.46Å; T311-N314 WeakPolarHBondContact OG1-CB 3.39Å; N314-L316 VanDerWaalsContact C-N 3.25Å; N314-L316 PolarHBondContact O-N 2.77Å; N314-G317 PolarHBondContact O-N 2.72Å; N314-G317 VanDerWaalsContact O-N 3.07Å; N314-G317 VanDerWaalsContact OD1-CA 3.29Å; N314-G317 WeakPolarHBondContact OD1-CA 3.23Å; N314-G317 PolarHBondContact OD1-N 2.68Å; N314-V318 PolarHBondContact O-N 2.94Å
315R91.9Very high92.9Very high76 Ų7633 Ų3329%0.28716%0.158SC..Hα-helixtrans-60.6-36.4176.1-71.7-176.7163.8-177.3-6.9111.9F220 D222 E224 V318 R319 I400F220-R315 HydrophobicContact CE1-CG 3.73Å; F220-R315 HydrophobicContact CE2-CG 4.1Å; F220-R315 HydrophobicContact CZ-CG 3.35Å; D222-R315 VanDerWaalsContact CG-NH2 3.3Å; D222-R315 IonicContact OD1-CZ 3.25Å; D222-R315 IonicContact OD1-NH2 3.59Å; D222-R315 PolarHBondContact OD1-NH2 2.96Å; D222-R315 VanDerWaalsContact OD1-NH2 3.11Å; D222-R315 IonicContact OD2-CZ 3.05Å; D222-R315 VanDerWaalsContact OD2-CZ 3.26Å; D222-R315 IonicContact OD2-NE 2.74Å; D222-R315 PolarHBondContact OD2-NE 2.93Å; D222-R315 IonicContact OD2-NH2 2.91Å; D222-R315 PolarHBondContact OD2-NH2 3.04Å; E224-R315 IonicContact OE1-CZ 2.82Å; E224-R315 IonicContact OE1-NH1 3.26Å; E224-R315 PolarHBondContact OE1-NH1 3.43Å; E224-R315 IonicContact OE1-NH2 2.7Å; E224-R315 IonicContact OE2-CZ 3.59Å; E224-R315 VanDerWaalsContact OE2-CZ 3.25Å; E224-R315 IonicContact OE2-NH1 3.65Å; E224-R315 PolarHBondContact OE2-NH1 3.48Å; E224-R315 IonicContact OE2-NH2 3.65Å; E224-R315 PolarHBondContact OE2-NH2 2.94Å; R315-V318 WeakPolarHBondContact O-CB 3.37Å; R315-V318 PolarHBondContact O-N 3.37Å; R315-R319 PolarHBondContact O-N 2.87Å; R315-I400 HydrophobicContact CB-CD1 4.45Å; R315-I400 HydrophobicContact CB-CG2 3.69Å
316L94.4Very high93.7Very high13 Ų1330.5 Ų30.57%0.06815%0.145CC..Hα-helixtrans-55.2-49.5169-68.6164.8000111.4N314 V318 R319 N320 I400 F486 E487N314-L316 VanDerWaalsContact C-N 3.25Å; N314-L316 PolarHBondContact O-N 2.77Å; L316-V318 PolarHBondContact O-N 3.37Å; L316-V318 VanDerWaalsContact O-N 3.12Å; L316-R319 PolarHBondContact O-N 2.77Å; L316-N320 VanDerWaalsContact O-CB 3.29Å; L316-N320 WeakPolarHBondContact O-CB 3.25Å; L316-N320 PolarHBondContact O-N 2.77Å; L316-N320 PolarHBondContact O-OD1 3.5Å; L316-I400 HydrophobicContact CD2-CB 4.08Å; L316-I400 HydrophobicContact CD2-CG2 4.05Å; L316-I400 HydrophobicContact CG-CG2 3.93Å; L316-F486 HydrophobicContact CD2-CB 4.37Å; L316-E487 HydrophobicContact CD1-CB 4.12Å; L316-E487 HydrophobicContact CD1-CG 4.18Å
317G94.9Very high94.3Very high13 Ų1330 Ų3013%0.13414%0.142CC..Hα-helixtrans-54.1-35.1175.700000114.6N314 T321N314-G317 PolarHBondContact O-N 2.72Å; N314-G317 VanDerWaalsContact O-N 3.07Å; N314-G317 VanDerWaalsContact OD1-CA 3.29Å; N314-G317 WeakPolarHBondContact OD1-CA 3.23Å; N314-G317 PolarHBondContact OD1-N 2.68Å; G317-T321 VanDerWaalsContact O-CB 3.31Å; G317-T321 WeakPolarHBondContact O-CB 3.45Å; G317-T321 PolarHBondContact O-N 3.36Å; G317-T321 PolarHBondContact O-OG1 2.93Å
318V95.9Very high94.6Very high12 Ų1227 Ų277%0.07313%0.13CC..Hα-helixtrans-70.7-47.3172.6-1740000111.5L201 F203 F220 N314 R315 L316 T321 R322L201-V318 HydrophobicContact CB-CG2 4.38Å; F203-V318 HydrophobicContact CB-CG2 4.13Å; F220-V318 HydrophobicContact CB-CG2 3.95Å; F220-V318 HydrophobicContact CD1-CG2 3.74Å; F220-V318 HydrophobicContact CG-CG2 4.05Å; N314-V318 PolarHBondContact O-N 2.94Å; R315-V318 WeakPolarHBondContact O-CB 3.37Å; R315-V318 PolarHBondContact O-N 3.37Å; L316-V318 PolarHBondContact O-N 3.37Å; L316-V318 VanDerWaalsContact O-N 3.12Å; V318-T321 WeakPolarHBondContact O-CB 3.18Å; V318-T321 PolarHBondContact O-N 2.82Å; V318-R322 PolarHBondContact O-N 3.39Å
319R96.8Very high94.8Very high24 Ų2429.4 Ų29.49%0.09115%0.154CC..Hα-helixtrans-68.9-39.9-178.3-169.657.9176162.14.2112.2R315 L316 T321 R322 F323 I400 C405 F407R315-R319 PolarHBondContact O-N 2.87Å; L316-R319 PolarHBondContact O-N 2.77Å; R319-T321 PolarHBondContact O-N 3.23Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 2.84Å; R319-R322 VanDerWaalsContact O-N 3.08Å; R319-F323 PolarHBondContact O-N 2.79Å; R319-I400 HydrophobicContact CB-CD1 3.69Å; R319-I400 HydrophobicContact CG-CD1 3.92Å; R319-C405 HydrophobicContact CG-CB 3.73Å; R319-C405 PolarHBondContact NE-O 3.32Å; R319-C405 PolarHBondContact NH2-O 3.03Å; R319-F407 HydrophobicContact CG-CE1 3.9Å; R319-F407 HydrophobicContact CG-CZ 4.24Å; R319-F407 VanDerWaalsContact NH2-CD1 3.35Å; R319-F407 VanDerWaalsContact NH2-N 3.11Å; R319-F407 PolarHBondContact NH2-O 3.27Å
320N97.5Very high94.8Very high9 Ų929.8 Ų29.85%0.04816%0.156CC..Hα-helixtrans-61.4-32.3171.5-65.729.1000111.7L316 L324 Y364 D484 F486L316-N320 VanDerWaalsContact O-CB 3.29Å; L316-N320 WeakPolarHBondContact O-CB 3.25Å; L316-N320 PolarHBondContact O-N 2.77Å; L316-N320 PolarHBondContact O-OD1 3.5Å; N320-L324 WeakPolarHBondContact O-CG 3.43Å; N320-L324 PolarHBondContact O-N 2.77Å; N320-Y364 PolarHBondContact ND2-OH 3.01Å; N320-D484 PolarHBondContact ND2-OD1 3.04Å; N320-D484 PolarHBondContact ND2-OD2 3.38Å; N320-F486 WeakPolarHBondContact OD1-CD2 3.49Å
321T98.1Very high94.9Very high9 Ų930.5 Ų30.56%0.05516%0.16CC..Hα-helixtrans-70.9-41.4172.7-65.80000111.8F203 G204 V207 N208 G317 V318 R319 F323 L324 Q325F203-T321 HydrophobicContact CB-CG2 4.45Å; G204-T321 PolarHBondContact N-OG1 3.43Å; V207-T321 HydrophobicContact CG2-CG2 3.64Å; N208-T321 HydrophobicContact CB-CG2 3.87Å; G317-T321 VanDerWaalsContact O-CB 3.31Å; G317-T321 WeakPolarHBondContact O-CB 3.45Å; G317-T321 PolarHBondContact O-N 3.36Å; G317-T321 PolarHBondContact O-OG1 2.93Å; V318-T321 WeakPolarHBondContact O-CB 3.18Å; V318-T321 PolarHBondContact O-N 2.82Å; R319-T321 PolarHBondContact O-N 3.23Å; T321-F323 VanDerWaalsContact C-N 3.35Å; T321-L324 PolarHBondContact O-N 2.98Å; T321-Q325 WeakPolarHBondContact O-CG 3.23Å; T321-Q325 PolarHBondContact O-N 2.8Å
322R97.9Very high95Very high130 Ų13036.1 Ų36.149%0.49119%0.185SC..Hα-helixtrans-62.8-38.3172.6-67.8179-176.41781.8112.3V318 R319 Q325 L326 F407V318-R322 PolarHBondContact O-N 3.39Å; R319-R322 WeakPolarHBondContact O-CB 3.48Å; R319-R322 PolarHBondContact O-N 2.84Å; R319-R322 VanDerWaalsContact O-N 3.08Å; R322-Q325 WeakPolarHBondContact O-CB 3.49Å; R322-Q325 PolarHBondContact O-N 3.03Å; R322-Q325 VanDerWaalsContact O-N 3.16Å; R322-L326 PolarHBondContact O-N 3.18Å; R322-F407 HydrophobicContact CB-CE2 4.37Å; R322-F407 HydrophobicContact CB-CZ 4.07Å
323F98.3Very high95.4Very high0 Ų036.9 Ų36.90%019%0.187CC..Hα-helixtrans-59.8-46.4173.5170-111.6000111.9R319 T321 Q325 L326 L327 V385 L388 F407 P485 F486R319-F323 PolarHBondContact O-N 2.79Å; T321-F323 VanDerWaalsContact C-N 3.35Å; F323-Q325 VanDerWaalsContact C-N 3.29Å; F323-Q325 PolarHBondContact O-N 3.48Å; F323-L326 PolarHBondContact O-N 2.85Å; F323-L327 HydrophobicContact CD1-CD1 4.25Å; F323-L327 HydrophobicContact CD2-CG 4.39Å; F323-L327 HydrophobicContact CE1-CD1 3.68Å; F323-L327 HydrophobicContact CE2-CD1 3.98Å; F323-L327 HydrophobicContact CE2-CD2 4.17Å; F323-L327 HydrophobicContact CE2-CG 4.08Å; F323-L327 HydrophobicContact CZ-CD1 3.54Å; F323-L327 HydrophobicContact CZ-CD2 4.42Å; F323-L327 HydrophobicContact CZ-CG 4.17Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.49Å; F323-V385 HydrophobicContact CE2-CG2 3.95Å; F323-V385 HydrophobicContact CZ-CG2 3.8Å; F323-L388 HydrophobicContact CD2-CD1 4.38Å; F323-L388 HydrophobicContact CE2-CD1 3.83Å; F323-F407 HydrophobicContact CB-CE1 3.81Å; F323-F407 HydrophobicContact CB-CE2 4.29Å; F323-F407 HydrophobicContact CB-CZ 3.64Å; F323-F407 VanDerWaalsContact N-CZ 3.33Å; F323-P485 HydrophobicContact CD1-CB 4.41Å; F323-P485 HydrophobicContact CD1-CG 4.03Å; F323-P485 HydrophobicContact CE1-CB 3.94Å; F323-P485 HydrophobicContact CE1-CG 3.88Å; F323-P485 HydrophobicContact CZ-CB 4.25Å; F323-F486 HydrophobicContact CB-CE2 3.69Å; F323-F486 HydrophobicContact CB-CZ 3.95Å; F323-F486 HydrophobicContact CD1-CE2 4.06Å; F323-F486 HydrophobicContact CD2-CE2 4.19Å; F323-F486 AromaticContact CD2-CZ 3.84Å; F323-F486 HydrophobicContact CD2-CZ 3.84Å; F323-F486 HydrophobicContact CE2-CZ 4.44Å; F323-F486 AromaticContact CG-CE2 3.74Å; F323-F486 HydrophobicContact CG-CE2 3.74Å; F323-F486 AromaticContact CG-CZ 3.87Å; F323-F486 HydrophobicContact CG-CZ 3.87Å
324L98.5Very high96.4Very high1 Ų131.7 Ų31.71%0.00516%0.159CC..Hα-helixtrans-65.1-29.5174.6-72.6-171000113.4N208 F210 N320 T321 L327 S328 Y364 T367 L368N208-L324 HydrophobicContact CB-CB 4.23Å; N208-L324 HydrophobicContact CB-CD1 4.28Å; F210-L324 HydrophobicContact CD2-CD1 4.24Å; F210-L324 HydrophobicContact CE2-CB 3.98Å; F210-L324 HydrophobicContact CE2-CD1 4.18Å; F210-L324 HydrophobicContact CE2-CD2 4.15Å; F210-L324 HydrophobicContact CE2-CG 4.32Å; N320-L324 WeakPolarHBondContact O-CG 3.43Å; N320-L324 PolarHBondContact O-N 2.77Å; T321-L324 PolarHBondContact O-N 2.98Å; L324-L327 HydrophobicContact CD2-CD1 4.44Å; L324-S328 WeakPolarHBondContact O-CB 3.34Å; L324-S328 PolarHBondContact O-N 3.11Å; L324-Y364 HydrophobicContact CD1-CD2 3.97Å; L324-Y364 HydrophobicContact CD1-CE2 3.81Å; L324-Y364 HydrophobicContact CG-CE2 4.42Å; L324-T367 HydrophobicContact CD1-CG2 4.16Å; L324-T367 HydrophobicContact CD2-CG2 3.87Å; L324-L368 HydrophobicContact CD2-CD2 4.35Å
325Q97.9Very high97Very high73 Ų7334 Ų3434%0.34117%0.167SC..Hα-helixtrans-68.1-45.6171-69.9169.2-32.300111.5V207 T209 T321 R322 F323 S328 G329V207-Q325 PolarHBondContact O-NE2 3.08Å; T209-Q325 HydrophobicContact CG2-CG 4.17Å; T321-Q325 WeakPolarHBondContact O-CG 3.23Å; T321-Q325 PolarHBondContact O-N 2.8Å; R322-Q325 WeakPolarHBondContact O-CB 3.49Å; R322-Q325 PolarHBondContact O-N 3.03Å; R322-Q325 VanDerWaalsContact O-N 3.16Å; F323-Q325 VanDerWaalsContact C-N 3.29Å; F323-Q325 PolarHBondContact O-N 3.48Å; Q325-S328 PolarHBondContact O-N 3.49Å; Q325-G329 PolarHBondContact O-N 2.71Å
326L97.8Very high97.3Very high8 Ų830.7 Ų30.74%0.04216%0.155CC..Hα-helixtrans-57.2-56175.7177.970.4000111R322 F323 S328 G329 L330 L388 F407 P408 P411R322-L326 PolarHBondContact O-N 3.18Å; F323-L326 PolarHBondContact O-N 2.85Å; L326-S328 PolarHBondContact O-N 2.96Å; L326-S328 VanDerWaalsContact O-N 3.13Å; L326-G329 CarbonylContact O-C 3.55Å; L326-G329 WeakPolarHBondContact O-CA 3.25Å; L326-G329 PolarHBondContact O-N 2.96Å; L326-L330 HydrophobicContact CD1-CD1 4.47Å; L326-L330 HydrophobicContact CD1-CG 4.35Å; L326-L330 HydrophobicContact CD2-CD1 4.45Å; L326-L330 HydrophobicContact CG-CD1 4.01Å; L326-L330 HydrophobicContact CG-CG 4.29Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.19Å; L326-L388 HydrophobicContact CD2-CD1 4.24Å; L326-L388 HydrophobicContact CD2-CD2 4.04Å; L326-F407 HydrophobicContact CD2-CD2 3.87Å; L326-P408 WeakPolarHBondContact CD2-O 3.41Å; L326-P411 HydrophobicContact CD1-CG 4.22Å
327L98.3Very high97.5Very high0 Ų030.1 Ų30.10%015%0.152CC..Hα-helixtrans-56-34.3179.9-64.6-178.9000112.5F323 L324 L330 E331 L334 V371 L382 L388F323-L327 HydrophobicContact CD1-CD1 4.25Å; F323-L327 HydrophobicContact CD2-CG 4.39Å; F323-L327 HydrophobicContact CE1-CD1 3.68Å; F323-L327 HydrophobicContact CE2-CD1 3.98Å; F323-L327 HydrophobicContact CE2-CD2 4.17Å; F323-L327 HydrophobicContact CE2-CG 4.08Å; F323-L327 HydrophobicContact CZ-CD1 3.54Å; F323-L327 HydrophobicContact CZ-CD2 4.42Å; F323-L327 HydrophobicContact CZ-CG 4.17Å; F323-L327 WeakPolarHBondContact O-CG 3.5Å; F323-L327 PolarHBondContact O-N 3.49Å; L324-L327 HydrophobicContact CD2-CD1 4.44Å; L327-L330 HydrophobicContact CD2-CD1 4.31Å; L327-E331 PolarHBondContact O-N 3.26Å; L327-L334 HydrophobicContact CB-CD2 3.6Å; L327-V371 HydrophobicContact CD1-CB 4.44Å; L327-V371 HydrophobicContact CD1-CG1 3.72Å; L327-V371 HydrophobicContact CD1-CG2 3.77Å; L327-L382 HydrophobicContact CD1-CD1 4.32Å; L327-L382 HydrophobicContact CD2-CD1 4.42Å; L327-L382 HydrophobicContact CD2-CD2 4.24Å; L327-L388 HydrophobicContact CD2-CD1 4.12Å
328S96.8Very high97.7Very high17 Ų1729.5 Ų29.512%0.11915%0.146CC..Hα-helixtrans-76.8-19.2175.6178.90000114.3T209 L324 Q325 L326 R335T209-S328 VanDerWaalsContact OG1-CB 3.23Å; T209-S328 WeakPolarHBondContact OG1-CB 3.49Å; T209-S328 PolarHBondContact OG1-OG 3.02Å; T209-S328 VanDerWaalsContact OG1-OG 3.12Å; L324-S328 WeakPolarHBondContact O-CB 3.34Å; L324-S328 PolarHBondContact O-N 3.11Å; Q325-S328 PolarHBondContact O-N 3.49Å; L326-S328 PolarHBondContact O-N 2.96Å; L326-S328 VanDerWaalsContact O-N 3.13Å; S328-R335 WeakPolarHBondContact OG-CD 3.21Å; S328-R335 VanDerWaalsContact OG-CG 3.25Å; S328-R335 WeakPolarHBondContact OG-CG 3.48Å
329G96.4Very high97.8Very high49 Ų4929.1 Ų29.151%0.50514%0.143SC..Hα-helixtrans-86.6-24.917100000112.8Q325 L326Q325-G329 PolarHBondContact O-N 2.71Å; L326-G329 CarbonylContact O-C 3.55Å; L326-G329 WeakPolarHBondContact O-CA 3.25Å; L326-G329 PolarHBondContact O-N 2.96Å
330L96.3Very high97.8Very high42 Ų4228 Ų2822%0.2214%0.139CC..Hα-helixtrans-74.6-37.1174.9-67.1175000113.1L326 L327 P383 L388 P411 V414L326-L330 HydrophobicContact CD1-CD1 4.47Å; L326-L330 HydrophobicContact CD1-CG 4.35Å; L326-L330 HydrophobicContact CD2-CD1 4.45Å; L326-L330 HydrophobicContact CG-CD1 4.01Å; L326-L330 HydrophobicContact CG-CG 4.29Å; L326-L330 WeakPolarHBondContact O-CG 3.48Å; L326-L330 PolarHBondContact O-N 3.19Å; L327-L330 HydrophobicContact CD2-CD1 4.31Å; L330-P383 HydrophobicContact CD1-CG 4.43Å; L330-L388 HydrophobicContact CD1-CD2 4.38Å; L330-P411 HydrophobicContact CD2-CB 3.85Å; L330-P411 WeakPolarHBondContact CD2-O 3.49Å; L330-P411 HydrophobicContact CG-CB 4.41Å; L330-V414 HydrophobicContact CD1-CB 4.39Å; L330-V414 HydrophobicContact CD1-CG1 4.09Å; L330-V414 HydrophobicContact CD1-CG2 4.48Å; L330-V414 HydrophobicContact CD2-CB 3.56Å; L330-V414 HydrophobicContact CD2-CG1 3.91Å; L330-V414 HydrophobicContact CD2-CG2 4.12Å
331E97.3Very high97.9Very high14 Ų1427.6 Ų27.67%0.06514%0.137CC..  trans-138.7109.5-167.3177.751-103.500112.5L327 R333 L334 V381 L382L327-E331 PolarHBondContact O-N 3.26Å; E331-R333 HydrophobicContact CG-CB 4.16Å; E331-R333 PolarHBondContact O-N 3.35Å; E331-R333 WeakPolarHBondContact OE1-CB 3.48Å; E331-R333 VanDerWaalsContact OE1-CG 3.23Å; E331-R333 WeakPolarHBondContact OE1-CG 3.22Å; E331-R333 IonicContact OE1-CZ 2.77Å; E331-R333 PolarHBondContact OE1-N 3.22Å; E331-R333 IonicContact OE1-NE 2.83Å; E331-R333 PolarHBondContact OE1-NE 3.26Å; E331-R333 IonicContact OE1-NH2 2.69Å; E331-R333 IonicContact OE2-CZ 2.64Å; E331-R333 IonicContact OE2-NE 3.74Å; E331-R333 PolarHBondContact OE2-NE 3Å; E331-R333 IonicContact OE2-NH2 2.6Å; E331-R333 PolarHBondContact OE2-NH2 3.44Å; E331-L334 HydrophobicContact CB-CB 4.4Å; E331-L334 HydrophobicContact CG-CB 4.29Å; E331-L334 WeakPolarHBondContact O-CB 3.35Å; E331-L334 PolarHBondContact O-N 2.85Å; E331-V381 HydrophobicContact CG-CG1 3.73Å; E331-L382 HydrophobicContact CB-CD2 3.72Å; E331-L382 HydrophobicContact CG-CD2 4.26Å
332E96.9Very high97.8Very high126 Ų12628 Ų2859%0.58914%0.138SC*.THydrogen-bonded Turntrans-63.4-27.3179.866.7136.9-11900113.1K164 L334 P336K164-E332 WeakPolarHBondContact CE-OE1 3.39Å; K164-E332 IonicContact NZ-OE1 2.69Å; K164-E332 PolarHBondContact NZ-OE1 3.27Å; K164-E332 IonicContact NZ-OE2 2.7Å; K164-E332 PolarHBondContact NZ-OE2 3.24Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 2.85Å; E332-P336 WeakPolarHBondContact O-CD 3.36Å
333R98.2Very high97.6Very high32 Ų3222.4 Ų22.412%0.12112%0.116CC..THydrogen-bonded Turntrans-71-23.3-179.7-64.8171.3-70.7-174.8-6.1113E331 R335 P336 L337 N419 Q421 L423 L426E331-R333 HydrophobicContact CG-CB 4.16Å; E331-R333 PolarHBondContact O-N 3.35Å; E331-R333 WeakPolarHBondContact OE1-CB 3.48Å; E331-R333 VanDerWaalsContact OE1-CG 3.23Å; E331-R333 WeakPolarHBondContact OE1-CG 3.22Å; E331-R333 IonicContact OE1-CZ 2.77Å; E331-R333 PolarHBondContact OE1-N 3.22Å; E331-R333 IonicContact OE1-NE 2.83Å; E331-R333 PolarHBondContact OE1-NE 3.26Å; E331-R333 IonicContact OE1-NH2 2.69Å; E331-R333 IonicContact OE2-CZ 2.64Å; E331-R333 IonicContact OE2-NE 3.74Å; E331-R333 PolarHBondContact OE2-NE 3Å; E331-R333 IonicContact OE2-NH2 2.6Å; E331-R333 PolarHBondContact OE2-NH2 3.44Å; R333-R335 PolarHBondContact O-N 3Å; R333-P336 WeakPolarHBondContact O-CD 2.97Å; R333-L337 WeakPolarHBondContact O-CB 3.15Å; R333-L337 WeakPolarHBondContact O-CD1 3.45Å; R333-L337 WeakPolarHBondContact O-CG 2.84Å; R333-L337 PolarHBondContact O-N 3.44Å; R333-N419 VanDerWaalsContact CZ-O 3.29Å; R333-N419 PolarHBondContact NH1-O 2.84Å; R333-N419 PolarHBondContact NH1-OD1 2.77Å; R333-N419 PolarHBondContact NH2-O 3.12Å; R333-Q421 WeakPolarHBondContact CD-O 3.32Å; R333-Q421 PolarHBondContact NH1-O 2.81Å; R333-L423 HydrophobicContact CB-CD2 3.66Å; R333-L423 HydrophobicContact CG-CD2 3.97Å; R333-L423 HydrophobicContact CG-CG 4.34Å; R333-L423 WeakPolarHBondContact O-CD2 3.43Å; R333-L426 HydrophobicContact CB-CD1 4.3Å
334L98.5Very high97.5Very high0 Ų022.4 Ų22.40%012%0.116CC..Hα-helixtrans-62.2-42.2-178178.360.5000112F210 L327 E331 E332 L337 V338 V370 V371 L374 L382F210-L334 HydrophobicContact CE1-CG 4.1Å; F210-L334 HydrophobicContact CZ-CD2 3.82Å; F210-L334 HydrophobicContact CZ-CG 3.85Å; L327-L334 HydrophobicContact CB-CD2 3.6Å; E331-L334 HydrophobicContact CB-CB 4.4Å; E331-L334 HydrophobicContact CG-CB 4.29Å; E331-L334 WeakPolarHBondContact O-CB 3.35Å; E331-L334 PolarHBondContact O-N 2.85Å; E332-L334 VanDerWaalsContact C-N 3.29Å; E332-L334 PolarHBondContact O-N 2.85Å; L334-L337 PolarHBondContact O-N 3.11Å; L334-V338 HydrophobicContact CD1-CG2 3.67Å; L334-V338 HydrophobicContact CG-CG2 4.25Å; L334-V338 WeakPolarHBondContact O-CB 3.48Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 2.91Å; L334-V370 HydrophobicContact CD1-CG1 4.12Å; L334-V371 HydrophobicContact CD1-CG2 4.27Å; L334-L374 HydrophobicContact CD1-CD1 3.71Å; L334-L382 HydrophobicContact CD1-CD1 4.18Å; L334-L382 HydrophobicContact CD2-CD1 4.18Å
335R98.2Very high97.3Very high65 Ų6522.4 Ų22.425%0.24512%0.116CC..Hα-helixtrans-65.2-53-178.4-76.8-178.263.5159-2.1113.1F210 S328 R333 L337 V338 F339F210-R335 HydrophobicContact CD1-CG 4.1Å; F210-R335 HydrophobicContact CE1-CB 4.44Å; F210-R335 HydrophobicContact CE1-CG 3.7Å; S328-R335 WeakPolarHBondContact OG-CD 3.21Å; S328-R335 VanDerWaalsContact OG-CG 3.25Å; S328-R335 WeakPolarHBondContact OG-CG 3.48Å; R333-R335 PolarHBondContact O-N 3Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 2.9Å; R335-V338 PolarHBondContact O-N 3.41Å; R335-F339 VanDerWaalsContact O-CD2 3.31Å; R335-F339 WeakPolarHBondContact O-CD2 3.49Å; R335-F339 PolarHBondContact O-N 3.09Å
336P98.6Very high97Very high7 Ų721.2 Ų21.25%0.04511%0.11CC..Hα-helixtrans-58.9-36.8176.1-24.634.6000113.3M163 K164 V167 E332 R333 T340 L423M163-P336 HydrophobicContact CB-CB 3.78Å; M163-P336 HydrophobicContact CE-CB 4.28Å; K164-P336 HydrophobicContact CG-CG 4.03Å; V167-P336 HydrophobicContact CG2-CB 4.25Å; V167-P336 HydrophobicContact CG2-CG 4.21Å; E332-P336 WeakPolarHBondContact O-CD 3.36Å; R333-P336 WeakPolarHBondContact O-CD 2.97Å; P336-T340 VanDerWaalsContact O-CB 3.25Å; P336-T340 WeakPolarHBondContact O-CB 3.37Å; P336-T340 PolarHBondContact O-N 3.1Å; P336-T340 PolarHBondContact O-OG1 3.47Å; P336-L423 HydrophobicContact CB-CD1 3.73Å; P336-L423 HydrophobicContact CB-CD2 3.93Å; P336-L423 HydrophobicContact CB-CG 4.5Å; P336-L423 HydrophobicContact CG-CD1 3.98Å; P336-L423 HydrophobicContact CG-CD2 4.36Å
337L98.7Very high96.5Very high1 Ų121.7 Ų21.71%0.00511%0.112CC..Hα-helixtrans-63.2-54.7173.4-75.7164.7000111.9M163 R333 L334 R335 F339 T340 V341 V370 L374 L423 L426 L427M163-L337 HydrophobicContact CE-CD2 3.77Å; M163-L337 HydrophobicContact CE-CG 4.06Å; R333-L337 WeakPolarHBondContact O-CB 3.15Å; R333-L337 WeakPolarHBondContact O-CD1 3.45Å; R333-L337 WeakPolarHBondContact O-CG 2.84Å; R333-L337 PolarHBondContact O-N 3.44Å; L334-L337 PolarHBondContact O-N 3.11Å; R335-L337 VanDerWaalsContact C-N 3.29Å; R335-L337 PolarHBondContact O-N 2.9Å; L337-F339 PolarHBondContact O-N 3.13Å; L337-T340 PolarHBondContact O-N 3.06Å; L337-V341 WeakPolarHBondContact O-CB 3.25Å; L337-V341 WeakPolarHBondContact O-CG2 3.26Å; L337-V341 PolarHBondContact O-N 3.3Å; L337-V370 HydrophobicContact CB-CG1 4.07Å; L337-L374 HydrophobicContact CD1-CD1 4.02Å; L337-L374 HydrophobicContact CD1-CD2 3.92Å; L337-L374 HydrophobicContact CD1-CG 4.49Å; L337-L423 HydrophobicContact CD1-CD2 4.35Å; L337-L423 HydrophobicContact CG-CD2 3.93Å; L337-L426 HydrophobicContact CD1-CB 3.88Å; L337-L426 HydrophobicContact CD1-CD1 4.01Å; L337-L426 HydrophobicContact CD2-CB 4.01Å; L337-L427 HydrophobicContact CD2-CB 3.91Å
338V98.6Very high96.1Very high0 Ų023.4 Ų23.40%012%0.119CC..Hα-helixtrans-61.2-42.5-178.1169.10000112F210 L334 R335 R342 T367 V370F210-V338 HydrophobicContact CB-CG1 3.99Å; F210-V338 HydrophobicContact CD1-CB 3.72Å; F210-V338 HydrophobicContact CD1-CG1 3.46Å; F210-V338 VanDerWaalsContact CD1-CG1 3.46Å; F210-V338 HydrophobicContact CD1-CG2 4.28Å; F210-V338 HydrophobicContact CD2-CG1 4.23Å; F210-V338 HydrophobicContact CE1-CB 3.79Å; F210-V338 HydrophobicContact CE1-CG1 3.95Å; F210-V338 HydrophobicContact CE1-CG2 3.9Å; F210-V338 HydrophobicContact CG-CB 4.38Å; F210-V338 HydrophobicContact CG-CG1 3.63Å; F210-V338 HydrophobicContact CZ-CB 4.49Å; F210-V338 HydrophobicContact CZ-CG2 4.17Å; L334-V338 HydrophobicContact CD1-CG2 3.67Å; L334-V338 HydrophobicContact CG-CG2 4.25Å; L334-V338 WeakPolarHBondContact O-CB 3.48Å; L334-V338 WeakPolarHBondContact O-CG2 3.49Å; L334-V338 PolarHBondContact O-N 2.91Å; R335-V338 PolarHBondContact O-N 3.41Å; V338-R342 HydrophobicContact CG1-CG 4.26Å; V338-R342 WeakPolarHBondContact O-CB 3.25Å; V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 3.22Å; V338-T367 HydrophobicContact CG1-CG2 4.31Å; V338-T367 VanDerWaalsContact CG1-OG1 3.23Å; V338-T367 WeakPolarHBondContact CG1-OG1 3.42Å; V338-T367 HydrophobicContact CG2-CG2 4.13Å; V338-V370 HydrophobicContact CG2-CB 4.06Å; V338-V370 HydrophobicContact CG2-CG1 3.82Å; V338-V370 HydrophobicContact CG2-CG2 4.46Å
339F97.9Very high95.7Very high5 Ų529.7 Ų29.72%0.02215%0.147CC..Hα-helixtrans-62.1-45.7175.1-88.6-109.6000111.6V167 L170 Q171 F210 I212 R335 L337 Y343V167-F339 HydrophobicContact CB-CD1 4.48Å; V167-F339 HydrophobicContact CB-CG 4.44Å; V167-F339 HydrophobicContact CG1-CD2 4.36Å; V167-F339 HydrophobicContact CG1-CE1 4.37Å; V167-F339 HydrophobicContact CG1-CE2 4.14Å; V167-F339 HydrophobicContact CG1-CZ 4.16Å; V167-F339 HydrophobicContact CG2-CB 3.89Å; V167-F339 HydrophobicContact CG2-CD1 4.31Å; V167-F339 HydrophobicContact CG2-CD2 3.98Å; V167-F339 HydrophobicContact CG2-CG 3.82Å; L170-F339 HydrophobicContact CB-CD1 4.1Å; L170-F339 HydrophobicContact CB-CE1 4.05Å; Q171-F339 HydrophobicContact CB-CE1 4.02Å; Q171-F339 HydrophobicContact CB-CZ 3.86Å; F210-F339 HydrophobicContact CB-CE2 4.5Å; F210-F339 HydrophobicContact CD1-CE2 4.42Å; I212-F339 HydrophobicContact CG2-CD1 4.25Å; I212-F339 HydrophobicContact CG2-CE1 3.8Å; I212-F339 HydrophobicContact CG2-CZ 4.49Å; R335-F339 VanDerWaalsContact O-CD2 3.31Å; R335-F339 WeakPolarHBondContact O-CD2 3.49Å; R335-F339 PolarHBondContact O-N 3.09Å; L337-F339 PolarHBondContact O-N 3.13Å; F339-Y343 WeakPolarHBondContact O-CB 3.07Å; F339-Y343 PolarHBondContact O-N 2.93Å
340T98.2Very high95.5Very high0 Ų027.5 Ų27.50%012%0.124CC..Hα-helixtrans-67.4-44.9-177.7-55.50000112M163 L166 P336 L337 Y343 W344 L427 L532 L536M163-T340 HydrophobicContact CG-CG2 4.27Å; M163-T340 WeakPolarHBondContact CG-OG1 3.24Å; L166-T340 HydrophobicContact CD2-CG2 4.35Å; P336-T340 VanDerWaalsContact O-CB 3.25Å; P336-T340 WeakPolarHBondContact O-CB 3.37Å; P336-T340 PolarHBondContact O-N 3.1Å; P336-T340 PolarHBondContact O-OG1 3.47Å; L337-T340 PolarHBondContact O-N 3.06Å; T340-Y343 PolarHBondContact O-N 3.06Å; T340-W344 VanDerWaalsContact O-CB 3.25Å; T340-W344 WeakPolarHBondContact O-CB 3.19Å; T340-W344 PolarHBondContact O-N 3.26Å; T340-L427 HydrophobicContact CG2-CD1 4.33Å; T340-L427 HydrophobicContact CG2-CD2 3.72Å; T340-L532 HydrophobicContact CG2-CD1 4.31Å; T340-L532 HydrophobicContact CG2-CD2 3.84Å; T340-L532 HydrophobicContact CG2-CG 4.01Å; T340-L536 HydrophobicContact CG2-CD2 4.26Å
341V98.3Very high95.1Very high1 Ų125.7 Ų25.71%0.00612%0.115CC..Hα-helixtrans-66.7-42.5177.7172.90000111.2L337 Y343 W344 A345 L366 V370 L427 F430L337-V341 WeakPolarHBondContact O-CB 3.25Å; L337-V341 WeakPolarHBondContact O-CG2 3.26Å; L337-V341 PolarHBondContact O-N 3.3Å; V341-Y343 VanDerWaalsContact C-N 3.34Å; V341-Y343 PolarHBondContact O-N 3.12Å; V341-W344 PolarHBondContact O-N 3.14Å; V341-A345 WeakPolarHBondContact O-CB 3.43Å; V341-A345 PolarHBondContact O-N 2.92Å; V341-L366 HydrophobicContact CG1-CD1 3.76Å; V341-L366 HydrophobicContact CG1-CD2 4.28Å; V341-L366 HydrophobicContact CG1-CG 3.98Å; V341-V370 HydrophobicContact CB-CG2 3.97Å; V341-V370 HydrophobicContact CG1-CG2 3.86Å; V341-V370 HydrophobicContact CG2-CG2 4.05Å; V341-L427 HydrophobicContact CG2-CD1 3.91Å; V341-F430 HydrophobicContact CG1-CE1 3.72Å; V341-F430 HydrophobicContact CG1-CE2 4.28Å; V341-F430 HydrophobicContact CG1-CZ 3.56Å; V341-F430 HydrophobicContact CG2-CD1 4Å; V341-F430 HydrophobicContact CG2-CE1 3.98Å; V341-F430 HydrophobicContact CG2-CG 4.36Å; V341-F430 HydrophobicContact CG2-CZ 4.3Å
342R95.8Very high94.1Very high18 Ų1826.7 Ų26.77%0.06813%0.128CC..Hα-helixtrans-61.2-39.5173.5-76.7176.3172.4-163.9-0.2112.4F210 V338 K346 N363 L366 T367F210-R342 VanDerWaalsContact CB-NH1 3.25Å; F210-R342 PolarHBondContact O-NH1 3.04Å; V338-R342 HydrophobicContact CG1-CG 4.26Å; V338-R342 WeakPolarHBondContact O-CB 3.25Å; V338-R342 WeakPolarHBondContact O-CG 3.49Å; V338-R342 PolarHBondContact O-N 3.22Å; R342-K346 WeakPolarHBondContact O-CG 3.12Å; R342-K346 PolarHBondContact O-N 3.47Å; R342-N363 PolarHBondContact NE-O 2.96Å; R342-N363 PolarHBondContact NH2-O 3.3Å; R342-L366 HydrophobicContact CG-CD2 4.22Å; R342-T367 VanDerWaalsContact CZ-OG1 3.25Å; R342-T367 PolarHBondContact NE-OG1 2.98Å; R342-T367 PolarHBondContact NH2-OG1 2.78Å
343Y94.1Very high92.9Very high11 Ų1122.5 Ų22.54%0.04311%0.11CC..Hα-helixtrans-71.5-45178.6-164.9-86.7000111.8L142 I145 F146 L170 F339 T340 V341 K346 Q347 L536L142-Y343 HydrophobicContact CD2-CE2 4.2Å; L142-Y343 PolarHBondContact O-OH 2.94Å; I145-Y343 HydrophobicContact CG2-CE2 4.3Å; F146-Y343 WeakPolarHBondContact CA-OH 3.23Å; F146-Y343 WeakPolarHBondContact CB-OH 3.2Å; F146-Y343 HydrophobicContact CD2-CE1 4.26Å; F146-Y343 PolarHBondContact N-OH 3.42Å; L170-Y343 HydrophobicContact CD1-CD2 3.58Å; L170-Y343 HydrophobicContact CD1-CE2 4.06Å; L170-Y343 HydrophobicContact CD1-CG 4.42Å; L170-Y343 HydrophobicContact CD2-CE2 4.5Å; F339-Y343 WeakPolarHBondContact O-CB 3.07Å; F339-Y343 PolarHBondContact O-N 2.93Å; T340-Y343 PolarHBondContact O-N 3.06Å; V341-Y343 VanDerWaalsContact C-N 3.34Å; V341-Y343 PolarHBondContact O-N 3.12Å; Y343-K346 PolarHBondContact O-N 3.25Å; Y343-Q347 HydrophobicContact CD1-CG 3.83Å; Y343-Q347 HydrophobicContact CE1-CG 3.53Å; Y343-Q347 WeakPolarHBondContact O-CG 3.39Å; Y343-Q347 PolarHBondContact O-N 3.37Å; Y343-Q347 PolarHBondContact OH-NE2 2.95Å; Y343-L536 HydrophobicContact CD1-CB 4.21Å; Y343-L536 HydrophobicContact CD1-CD1 3.87Å; Y343-L536 HydrophobicContact CD1-CD2 4.23Å; Y343-L536 HydrophobicContact CD1-CG 4.32Å; Y343-L536 HydrophobicContact CE1-CB 4.32Å; Y343-L536 HydrophobicContact CE1-CD1 4.36Å
344W95.6Very high90.8Very high1 Ų127 Ų270%0.00414%0.144CC..Hα-helixtrans-55.7-51.1173.8167.983.7000111.8T340 V341 K346 Q347 K348 I350 F431 F504 A507 A511 L536T340-W344 VanDerWaalsContact O-CB 3.25Å; T340-W344 WeakPolarHBondContact O-CB 3.19Å; T340-W344 PolarHBondContact O-N 3.26Å; V341-W344 PolarHBondContact O-N 3.14Å; W344-K346 VanDerWaalsContact C-N 3.27Å; W344-K346 PolarHBondContact O-N 3.41Å; W344-Q347 CarbonylContact O-C 3.16Å; W344-Q347 PolarHBondContact O-N 3.04Å; W344-Q347 VanDerWaalsContact O-N 3.1Å; W344-K348 WeakPolarHBondContact O-CG 3.46Å; W344-K348 PolarHBondContact O-N 2.89Å; W344-I350 HydrophobicContact CH2-CD1 3.74Å; W344-I350 HydrophobicContact CZ2-CD1 4.16Å; W344-I350 HydrophobicContact CZ3-CD1 4.05Å; W344-F431 AromaticContact CD2-CE1 3.68Å; W344-F431 HydrophobicContact CD2-CE1 3.68Å; W344-F431 AromaticContact CD2-CZ 3.94Å; W344-F431 HydrophobicContact CD2-CZ 3.94Å; W344-F431 AromaticContact CE2-CE1 3.49Å; W344-F431 VanDerWaalsContact CE2-CE1 3.49Å; W344-F431 AromaticContact CE2-CZ 3.92Å; W344-F431 AromaticContact CE3-CE1 3.86Å; W344-F431 HydrophobicContact CE3-CE1 3.86Å; W344-F431 HydrophobicContact CE3-CZ 4.41Å; W344-F431 HydrophobicContact CG-CE1 4.36Å; W344-F431 HydrophobicContact CG-CZ 4.14Å; W344-F431 HydrophobicContact CH2-CD1 4.24Å; W344-F431 AromaticContact CH2-CE1 3.76Å; W344-F431 HydrophobicContact CH2-CE1 3.76Å; W344-F431 HydrophobicContact CZ2-CD1 4.09Å; W344-F431 AromaticContact CZ2-CE1 3.54Å; W344-F431 HydrophobicContact CZ2-CE1 3.54Å; W344-F431 HydrophobicContact CZ2-CZ 4.4Å; W344-F431 AromaticContact CZ3-CE1 3.91Å; W344-F431 HydrophobicContact CZ3-CE1 3.91Å; W344-F504 HydrophobicContact CH2-CD2 4.47Å; W344-F504 HydrophobicContact CH2-CE2 4.47Å; W344-F504 HydrophobicContact CZ3-CD2 4.42Å; W344-F504 HydrophobicContact CZ3-CE2 4.22Å; W344-A507 HydrophobicContact CH2-CB 4.04Å; W344-A507 HydrophobicContact CZ2-CB 3.66Å; W344-A511 HydrophobicContact CZ2-CB 4.26Å; W344-L536 HydrophobicContact CB-CD2 3.65Å
345A94.8Very high88.3Confident0 Ų032.2 Ų32.20%018%0.18CC..Hα-helixtrans-63.7-32.3-177.600000112.7V341 Q349 I350 A351 L366V341-A345 WeakPolarHBondContact O-CB 3.43Å; V341-A345 PolarHBondContact O-N 2.92Å; A345-Q349 PolarHBondContact O-N 3.47Å; A345-I350 HydrophobicContact CB-CB 4.4Å; A345-I350 PolarHBondContact O-N 3.35Å; A345-A351 HydrophobicContact CB-CB 3.67Å; A345-A351 PolarHBondContact O-N 2.71Å; A345-L366 HydrophobicContact CB-CD2 3.4Å; A345-L366 VanDerWaalsContact CB-CD2 3.4Å
346K91.2Very high86.3Confident49 Ų4932.4 Ų32.421%0.21320%0.202CC..Hα-helixtrans-69.3-45.3171.4-74172.3-179.3176.50112L142 R342 Y343 W344 K348 Q349 A351 N363L142-K346 HydrophobicContact CD1-CB 4.13Å; L142-K346 HydrophobicContact CD1-CD 4.38Å; R342-K346 WeakPolarHBondContact O-CG 3.12Å; R342-K346 PolarHBondContact O-N 3.47Å; Y343-K346 PolarHBondContact O-N 3.25Å; W344-K346 VanDerWaalsContact C-N 3.27Å; W344-K346 PolarHBondContact O-N 3.41Å; K346-K348 PolarHBondContact O-N 2.82Å; K346-Q349 PolarHBondContact O-N 3.49Å; K346-A351 WeakPolarHBondContact CG-O 3.37Å; K346-N363 WeakPolarHBondContact CE-OD1 3.39Å; K346-N363 PolarHBondContact NZ-OD1 2.95Å; K346-N363 VanDerWaalsContact NZ-OD1 3.13Å
347Q89Confident84.6Confident17 Ų1737 Ų378%0.07924%0.241CC..Hα-helixtrans-63.5-24.3175.7-75.6-70.70.600113.6Y343 W344 L536Y343-Q347 HydrophobicContact CD1-CG 3.83Å; Y343-Q347 HydrophobicContact CE1-CG 3.53Å; Y343-Q347 WeakPolarHBondContact O-CG 3.39Å; Y343-Q347 PolarHBondContact O-N 3.37Å; Y343-Q347 PolarHBondContact OH-NE2 2.95Å; W344-Q347 CarbonylContact O-C 3.16Å; W344-Q347 PolarHBondContact O-N 3.04Å; W344-Q347 VanDerWaalsContact O-N 3.1Å; Q347-L536 WeakPolarHBondContact CG-O 3.26Å
348K88.8Confident83.6Confident36 Ų3637.9 Ų37.916%0.15725%0.25CC..THydrogen-bonded Turntrans-95.54.9172.6-58.7-51-175.3-172.10114.4W344 K346 I350 A537 L539W344-K348 WeakPolarHBondContact O-CG 3.46Å; W344-K348 PolarHBondContact O-N 2.89Å; K346-K348 PolarHBondContact O-N 2.82Å; K348-I350 HydrophobicContact CB-CD1 3.52Å; K348-I350 HydrophobicContact CB-CG1 3.82Å; K348-I350 HydrophobicContact CG-CD1 4.36Å; K348-I350 PolarHBondContact O-N 2.9Å; K348-A537 PolarHBondContact NZ-O 3.25Å; K348-L539 HydrophobicContact CD-CD1 4.14Å; K348-L539 HydrophobicContact CD-CG 4.48Å
349Q89.1Confident82.9Confident150 Ų15040.3 Ų40.370%0.70127%0.266SS*.THydrogen-bonded Turntrans58.426.2-178.7-52.1-176.77.900114.8A345 K346 L360A345-Q349 PolarHBondContact O-N 3.47Å; K346-Q349 PolarHBondContact O-N 3.49Å; Q349-L360 WeakPolarHBondContact O-CD1 3.36Å; Q349-L360 VanDerWaalsContact O-CD2 3.25Å; Q349-L360 WeakPolarHBondContact O-CD2 3.29Å
350I90.8Very high82.5Confident3 Ų341.6 Ų41.62%0.01527%0.273CS..SBendtrans-91-23.3178.6-49.8158.8000111.3W344 A345 K348 L360 L361 F504 A507W344-I350 HydrophobicContact CH2-CD1 3.74Å; W344-I350 HydrophobicContact CZ2-CD1 4.16Å; W344-I350 HydrophobicContact CZ3-CD1 4.05Å; A345-I350 HydrophobicContact CB-CB 4.4Å; A345-I350 PolarHBondContact O-N 3.35Å; K348-I350 HydrophobicContact CB-CD1 3.52Å; K348-I350 HydrophobicContact CB-CG1 3.82Å; K348-I350 HydrophobicContact CG-CD1 4.36Å; K348-I350 PolarHBondContact O-N 2.9Å; I350-L360 WeakPolarHBondContact O-CB 3.44Å; I350-L361 HydrophobicContact CG2-CD1 4.32Å; I350-L361 PolarHBondContact O-N 3.19Å; I350-F504 HydrophobicContact CG2-CB 3.7Å; I350-F504 HydrophobicContact CG2-CD2 3.94Å; I350-F504 HydrophobicContact CG2-CG 4.31Å; I350-A507 HydrophobicContact CD1-CB 3.44Å; I350-A507 VanDerWaalsContact CD1-CB 3.44Å; I350-A507 HydrophobicContact CG1-CB 4.48Å
351A89.8Confident82.3Confident4 Ų441.8 Ų41.83%0.03327%0.274CS..BIsolated β-bridgetrans-136.2152.4-178.900000112.1A345 K346 L361 L366A345-A351 HydrophobicContact CB-CB 3.67Å; A345-A351 PolarHBondContact O-N 2.71Å; K346-A351 WeakPolarHBondContact CG-O 3.37Å; A351-L361 WeakPolarHBondContact CA-O 3.14Å; A351-L361 HydrophobicContact CB-CB 4.25Å; A351-L361 VanDerWaalsContact CB-O 3.31Å; A351-L361 WeakPolarHBondContact CB-O 3.47Å; A351-L366 HydrophobicContact CB-CD2 4.01Å
352G75.8Confident82Confident34 Ų3444.1 Ų44.135%0.35129%0.286SS..  trans88.471-179.100000113.3L361G352-L361 PolarHBondContact N-O 2.84Å
353N70.9Confident81.8Confident38 Ų3845.5 Ų45.520%0.20330%0.295CS..  trans-53.3127.9172.5-66.6-63.9000110.9S355 G358 L360N353-S355 VanDerWaalsContact C-N 3.28Å; N353-S355 PolarHBondContact O-N 3.32Å; N353-G358 PolarHBondContact ND2-O 3.06Å; N353-G358 WeakPolarHBondContact OD1-CA 3.3Å; N353-G358 PolarHBondContact OD1-O 3.48Å; N353-L360 PolarHBondContact ND2-O 3.11Å; N353-L360 WeakPolarHBondContact OD1-CB 3.31Å; N353-L360 WeakPolarHBondContact OD1-CG 3.49Å; N353-L360 PolarHBondContact OD1-N 2.95Å
354P53.9Low81.9Confident127 Ų12747.5 Ų47.583%0.82530%0.303SS*.SBendtrans-61.5-33.3-177.9-26.735.4000114.4
355S46.7Very low81.9Confident110 Ų11047.5 Ų47.577%0.76930%0.303SS*.SBendtrans-149.4130.3176.5-68.80000110.1N353N353-S355 VanDerWaalsContact C-N 3.28Å; N353-S355 PolarHBondContact O-N 3.32Å
356G56.8Low82Confident69 Ų6947.5 Ų47.571%0.71130%0.303SS*.SBendtrans63.9-160.5167.700000116.2G358G356-G358 PolarHBondContact O-N 3.4Å
357A62.3Low82.4Confident104 Ų10445.2 Ų45.286%0.8629%0.293SS*.SBendtrans-78.861-177.500000112.6
358G77.4Confident82.8Confident18 Ų1844.4 Ų44.419%0.18629%0.289CS..  trans-71.1175.6171.900000113.3N353 G356 L360 N495N353-G358 PolarHBondContact ND2-O 3.06Å; N353-G358 WeakPolarHBondContact OD1-CA 3.3Å; N353-G358 PolarHBondContact OD1-O 3.48Å; G356-G358 PolarHBondContact O-N 3.4Å; G358-L360 VanDerWaalsContact C-N 3.33Å; G358-L360 PolarHBondContact O-N 3.14Å; G358-N495 PolarHBondContact O-ND2 2.85Å
359P84.4Confident83.3Confident52 Ų5242.7 Ų42.734%0.33828%0.282SS..SBendtrans-80.9-6.2-172.134.3-37.4000114.9V496 N497 S500P359-V496 WeakPolarHBondContact O-CA 3.14Å; P359-N497 VanDerWaalsContact CB-ND2 3.31Å; P359-N497 WeakPolarHBondContact CB-ND2 3.48Å; P359-S500 VanDerWaalsContact O-CB 3.3Å; P359-S500 WeakPolarHBondContact O-CB 3.49Å; P359-S500 PolarHBondContact O-OG 3.12Å
360L89.8Confident83.8Confident31 Ų3135.7 Ų35.716%0.16225%0.249CC..SBendtrans-76.2155.7-178.5-54.9-174.1000111.5Q349 I350 N353 G358 N362 N495Q349-L360 WeakPolarHBondContact O-CD1 3.36Å; Q349-L360 VanDerWaalsContact O-CD2 3.25Å; Q349-L360 WeakPolarHBondContact O-CD2 3.29Å; I350-L360 WeakPolarHBondContact O-CB 3.44Å; N353-L360 PolarHBondContact ND2-O 3.11Å; N353-L360 WeakPolarHBondContact OD1-CB 3.31Å; N353-L360 WeakPolarHBondContact OD1-CG 3.49Å; N353-L360 PolarHBondContact OD1-N 2.95Å; G358-L360 VanDerWaalsContact C-N 3.33Å; G358-L360 PolarHBondContact O-N 3.14Å; L360-N362 PolarHBondContact O-N 3.37Å; L360-N495 PolarHBondContact O-ND2 3.34Å
361L92.3Very high84.2Confident4 Ų435.5 Ų35.52%0.02125%0.248CC..BIsolated β-bridgetrans-59.3134.6174-81.3166.1000110.5I350 A351 G352 A365 L366 L369 A493 V496 F504I350-L361 HydrophobicContact CG2-CD1 4.32Å; I350-L361 PolarHBondContact O-N 3.19Å; A351-L361 WeakPolarHBondContact CA-O 3.14Å; A351-L361 HydrophobicContact CB-CB 4.25Å; A351-L361 VanDerWaalsContact CB-O 3.31Å; A351-L361 WeakPolarHBondContact CB-O 3.47Å; G352-L361 PolarHBondContact N-O 2.84Å; L361-A365 HydrophobicContact CD2-CB 4.09Å; L361-L366 HydrophobicContact CD1-CD1 4.39Å; L361-L369 HydrophobicContact CD1-CD1 4.18Å; L361-A493 HydrophobicContact CD2-CB 4.44Å; L361-V496 HydrophobicContact CD2-CG2 3.77Å; L361-V496 HydrophobicContact CG-CG2 4.11Å; L361-F504 HydrophobicContact CD1-CD2 3.88Å; L361-F504 HydrophobicContact CD1-CE2 4.25Å; L361-F504 HydrophobicContact CD1-CG 4.34Å
362N91.8Very high84.6Confident51 Ų5135.3 Ų35.327%0.27325%0.247SC..PPolyproline II helixtrans-80.5158.8170.367.471.9000110.3L360 Y364 A365 L366 V492L360-N362 PolarHBondContact O-N 3.37Å; N362-Y364 PolarHBondContact O-N 3.2Å; N362-Y364 WeakPolarHBondContact OD1-CB 3.19Å; N362-Y364 PolarHBondContact OD1-N 2.92Å; N362-Y364 VanDerWaalsContact OD1-N 3.12Å; N362-A365 WeakPolarHBondContact OD1-CB 3.43Å; N362-A365 PolarHBondContact OD1-N 3.29Å; N362-L366 WeakPolarHBondContact O-CB 3.45Å; N362-L366 PolarHBondContact O-N 2.81Å; N362-L366 VanDerWaalsContact O-N 3.11Å; N362-V492 PolarHBondContact ND2-O 2.87Å
363N92.8Very high85.7Confident47 Ų4734.3 Ų34.325%0.25123%0.233SC..Hα-helixtrans-66-20.7-174.9-56.9-76.8000113.2R342 K346 T367R342-N363 PolarHBondContact NE-O 2.96Å; R342-N363 PolarHBondContact NH2-O 3.3Å; K346-N363 WeakPolarHBondContact CE-OD1 3.39Å; K346-N363 PolarHBondContact NZ-OD1 2.95Å; K346-N363 VanDerWaalsContact NZ-OD1 3.13Å; N363-T367 PolarHBondContact O-N 3.41Å; N363-T367 PolarHBondContact O-OG1 2.75Å
364Y95.8Very high87Confident53 Ų5332.5 Ų32.521%0.20822%0.223CC..Hα-helixtrans-78.9-54.8179-179.8-119.8000110.7N320 L324 N362 L366 T367 L368 D484 V492N320-Y364 PolarHBondContact ND2-OH 3.01Å; L324-Y364 HydrophobicContact CD1-CD2 3.97Å; L324-Y364 HydrophobicContact CD1-CE2 3.81Å; L324-Y364 HydrophobicContact CG-CE2 4.42Å; N362-Y364 PolarHBondContact O-N 3.2Å; N362-Y364 WeakPolarHBondContact OD1-CB 3.19Å; N362-Y364 PolarHBondContact OD1-N 2.92Å; N362-Y364 VanDerWaalsContact OD1-N 3.12Å; Y364-L366 VanDerWaalsContact C-N 3.27Å; Y364-L366 PolarHBondContact O-N 3.44Å; Y364-T367 CarbonylContact O-C 3.49Å; Y364-T367 WeakPolarHBondContact O-CA 3.4Å; Y364-T367 WeakPolarHBondContact O-CB 3.33Å; Y364-T367 PolarHBondContact O-N 3.4Å; Y364-L368 HydrophobicContact CD1-CD1 4.42Å; Y364-L368 HydrophobicContact CD2-CD2 4.4Å; Y364-L368 HydrophobicContact CE1-CD1 3.83Å; Y364-L368 HydrophobicContact CE1-CG 4.29Å; Y364-L368 HydrophobicContact CE2-CD1 4.46Å; Y364-L368 HydrophobicContact CE2-CD2 3.8Å; Y364-L368 HydrophobicContact CE2-CG 4.2Å; Y364-L368 PolarHBondContact O-N 2.89Å; Y364-D484 WeakPolarHBondContact CE1-OD2 3.47Å; Y364-D484 PolarHBondContact OH-OD2 2.86Å; Y364-V492 HydrophobicContact CD1-CB 4.41Å; Y364-V492 HydrophobicContact CD1-CG1 4.09Å; Y364-V492 HydrophobicContact CE1-CG1 3.82Å
365A96.4Very high89.1Confident0 Ų027.1 Ų27.10%019%0.187CC..Hα-helixtrans-52.1-44172.500000112.2L361 N362 T367 L368 L369 L482 V492L361-A365 HydrophobicContact CD2-CB 4.09Å; N362-A365 WeakPolarHBondContact OD1-CB 3.43Å; N362-A365 PolarHBondContact OD1-N 3.29Å; A365-T367 VanDerWaalsContact C-N 3.3Å; A365-T367 PolarHBondContact O-N 2.96Å; A365-L368 PolarHBondContact O-N 3.17Å; A365-L368 VanDerWaalsContact O-N 3.14Å; A365-L369 WeakPolarHBondContact O-CG 3.32Å; A365-L369 PolarHBondContact O-N 3.49Å; A365-L482 HydrophobicContact CB-CD2 4.04Å; A365-L482 VanDerWaalsContact O-CD2 3.32Å; A365-L482 WeakPolarHBondContact O-CD2 3.42Å; A365-V492 HydrophobicContact CB-CB 4.36Å; A365-V492 HydrophobicContact CB-CG2 3.79Å
366L97.1Very high91.6Very high1 Ų124.7 Ų24.71%0.00517%0.165CC..Hα-helixtrans-65.2-30.8176.5-174.862.7000113.3V341 R342 A345 A351 L361 N362 Y364 L369 V370 F504V341-L366 HydrophobicContact CG1-CD1 3.76Å; V341-L366 HydrophobicContact CG1-CD2 4.28Å; V341-L366 HydrophobicContact CG1-CG 3.98Å; R342-L366 HydrophobicContact CG-CD2 4.22Å; A345-L366 HydrophobicContact CB-CD2 3.4Å; A345-L366 VanDerWaalsContact CB-CD2 3.4Å; A351-L366 HydrophobicContact CB-CD2 4.01Å; L361-L366 HydrophobicContact CD1-CD1 4.39Å; N362-L366 WeakPolarHBondContact O-CB 3.45Å; N362-L366 PolarHBondContact O-N 2.81Å; N362-L366 VanDerWaalsContact O-N 3.11Å; Y364-L366 VanDerWaalsContact C-N 3.27Å; Y364-L366 PolarHBondContact O-N 3.44Å; L366-L369 HydrophobicContact CD1-CD1 4.41Å; L366-V370 PolarHBondContact O-N 2.93Å; L366-F504 HydrophobicContact CD1-CE2 4.33Å
367T98.4Very high93.6Very high1 Ų122 Ų221%0.00614%0.135CC..Hα-helixtrans-71.6-40170.3-73.50000111.6F210 L324 V338 R342 N363 Y364 A365 L369 V370 V371F210-T367 HydrophobicContact CD2-CG2 4.19Å; F210-T367 HydrophobicContact CE2-CG2 3.97Å; L324-T367 HydrophobicContact CD1-CG2 4.16Å; L324-T367 HydrophobicContact CD2-CG2 3.87Å; V338-T367 HydrophobicContact CG1-CG2 4.31Å; V338-T367 VanDerWaalsContact CG1-OG1 3.23Å; V338-T367 WeakPolarHBondContact CG1-OG1 3.42Å; V338-T367 HydrophobicContact CG2-CG2 4.13Å; R342-T367 VanDerWaalsContact CZ-OG1 3.25Å; R342-T367 PolarHBondContact NE-OG1 2.98Å; R342-T367 PolarHBondContact NH2-OG1 2.78Å; N363-T367 PolarHBondContact O-N 3.41Å; N363-T367 PolarHBondContact O-OG1 2.75Å; Y364-T367 CarbonylContact O-C 3.49Å; Y364-T367 WeakPolarHBondContact O-CA 3.4Å; Y364-T367 WeakPolarHBondContact O-CB 3.33Å; Y364-T367 PolarHBondContact O-N 3.4Å; A365-T367 VanDerWaalsContact C-N 3.3Å; A365-T367 PolarHBondContact O-N 2.96Å; T367-L369 VanDerWaalsContact C-N 3.29Å; T367-L369 PolarHBondContact O-N 3.4Å; T367-V370 WeakPolarHBondContact O-CB 3.44Å; T367-V370 PolarHBondContact O-N 3.06Å; T367-V371 HydrophobicContact CG2-CG2 4.47Å; T367-V371 PolarHBondContact O-N 3.46Å
368L98.8Very high95.2Very high0 Ų028 Ų280%014%0.135CC..Hα-helixtrans-64.5-33.6177-61.6-161.6000112.1L324 Y364 A365 V371 F372 L446 L482 V492L324-L368 HydrophobicContact CD2-CD2 4.35Å; Y364-L368 HydrophobicContact CD1-CD1 4.42Å; Y364-L368 HydrophobicContact CD2-CD2 4.4Å; Y364-L368 HydrophobicContact CE1-CD1 3.83Å; Y364-L368 HydrophobicContact CE1-CG 4.29Å; Y364-L368 HydrophobicContact CE2-CD1 4.46Å; Y364-L368 HydrophobicContact CE2-CD2 3.8Å; Y364-L368 HydrophobicContact CE2-CG 4.2Å; Y364-L368 PolarHBondContact O-N 2.89Å; A365-L368 PolarHBondContact O-N 3.17Å; A365-L368 VanDerWaalsContact O-N 3.14Å; L368-V371 PolarHBondContact O-N 2.93Å; L368-F372 WeakPolarHBondContact O-CB 3.21Å; L368-F372 PolarHBondContact O-N 2.93Å; L368-L446 HydrophobicContact CB-CD1 4.15Å; L368-L446 HydrophobicContact CB-CD2 3.81Å; L368-L446 HydrophobicContact CD1-CD2 4.21Å; L368-L446 HydrophobicContact CD2-CD2 3.73Å; L368-L446 HydrophobicContact CG-CD2 4.1Å; L368-L482 HydrophobicContact CB-CD1 4.38Å; L368-L482 HydrophobicContact CB-CD2 4.05Å; L368-L482 HydrophobicContact CB-CG 4.4Å; L368-V492 HydrophobicContact CD1-CG1 4.35Å; L368-V492 HydrophobicContact CD1-CG2 4.01Å
369L98.7Very high96.1Very high0 Ų030.1 Ų30.10%015%0.146CC..Hα-helixtrans-62-39.7169.1-67.6174.9000112.4L361 A365 L366 T367 F373 F430 Y434 F439 I444 L482 F504L361-L369 HydrophobicContact CD1-CD1 4.18Å; A365-L369 WeakPolarHBondContact O-CG 3.32Å; A365-L369 PolarHBondContact O-N 3.49Å; L366-L369 HydrophobicContact CD1-CD1 4.41Å; T367-L369 VanDerWaalsContact C-N 3.29Å; T367-L369 PolarHBondContact O-N 3.4Å; L369-F373 WeakPolarHBondContact O-CB 3.47Å; L369-F373 PolarHBondContact O-N 3.09Å; L369-F430 HydrophobicContact CB-CE2 4.46Å; L369-Y434 WeakPolarHBondContact CA-OH 3.06Å; L369-Y434 HydrophobicContact CB-CE2 4.01Å; L369-Y434 HydrophobicContact CD2-CE1 3.95Å; L369-Y434 WeakPolarHBondContact CD2-OH 3.41Å; L369-Y434 WeakPolarHBondContact O-CE2 3.27Å; L369-Y434 PolarHBondContact O-OH 3.25Å; L369-F439 HydrophobicContact CD2-CE1 4.4Å; L369-I444 HydrophobicContact CD2-CD1 3.81Å; L369-L482 HydrophobicContact CD2-CD1 4.18Å; L369-L482 HydrophobicContact CD2-CD2 3.81Å; L369-L482 HydrophobicContact CG-CD2 3.78Å; L369-F504 HydrophobicContact CD1-CE2 4.41Å; L369-F504 HydrophobicContact CD1-CZ 4.09Å
370V98.8Very high96.7Very high2 Ų231 Ų311%0.01215%0.152CC..Hα-helixtrans-66.1-42.7174.3176.60000110.9L334 L337 V338 V341 L366 T367 F373 L374 F430L334-V370 HydrophobicContact CD1-CG1 4.12Å; L337-V370 HydrophobicContact CB-CG1 4.07Å; V338-V370 HydrophobicContact CG2-CB 4.06Å; V338-V370 HydrophobicContact CG2-CG1 3.82Å; V338-V370 HydrophobicContact CG2-CG2 4.46Å; V341-V370 HydrophobicContact CB-CG2 3.97Å; V341-V370 HydrophobicContact CG1-CG2 3.86Å; V341-V370 HydrophobicContact CG2-CG2 4.05Å; L366-V370 PolarHBondContact O-N 2.93Å; T367-V370 WeakPolarHBondContact O-CB 3.44Å; T367-V370 PolarHBondContact O-N 3.06Å; V370-F373 PolarHBondContact O-N 3.11Å; V370-L374 HydrophobicContact CG1-CD1 4.05Å; V370-L374 VanDerWaalsContact O-CG 3.27Å; V370-L374 WeakPolarHBondContact O-CG 3.17Å; V370-L374 PolarHBondContact O-N 2.79Å; V370-L374 VanDerWaalsContact O-N 3.09Å; V370-F430 HydrophobicContact CB-CE2 4.49Å; V370-F430 HydrophobicContact CG2-CD2 4.14Å; V370-F430 HydrophobicContact CG2-CE2 3.69Å; V370-F430 HydrophobicContact CG2-CZ 4.31Å
371V98.8Very high97.1Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-61.4-47.3176.7171.70000111.3L327 L334 T367 L368 F373 L374 Q375 L382 L446L327-V371 HydrophobicContact CD1-CB 4.44Å; L327-V371 HydrophobicContact CD1-CG1 3.72Å; L327-V371 HydrophobicContact CD1-CG2 3.77Å; L334-V371 HydrophobicContact CD1-CG2 4.27Å; T367-V371 HydrophobicContact CG2-CG2 4.47Å; T367-V371 PolarHBondContact O-N 3.46Å; L368-V371 PolarHBondContact O-N 2.93Å; V371-F373 PolarHBondContact O-N 2.98Å; V371-L374 PolarHBondContact O-N 3.24Å; V371-L374 VanDerWaalsContact O-N 3.1Å; V371-Q375 HydrophobicContact CG1-CG 4.48Å; V371-Q375 WeakPolarHBondContact O-CG 3.41Å; V371-Q375 PolarHBondContact O-N 2.94Å; V371-L382 HydrophobicContact CB-CD1 4.36Å; V371-L382 HydrophobicContact CG1-CD1 4.04Å; V371-L382 HydrophobicContact CG2-CD1 4.22Å; V371-L446 HydrophobicContact CB-CD2 4.04Å; V371-L446 HydrophobicContact CG1-CD2 3.77Å; V371-L446 HydrophobicContact CG1-CG 4.42Å
372F98.8Very high97.4Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-62.7-41.7179-179.9-101.4000113.1L368 L374 Q375 N376 F433 Y434 F437 I444 L446 G449 C450 A451L368-F372 WeakPolarHBondContact O-CB 3.21Å; L368-F372 PolarHBondContact O-N 2.93Å; F372-L374 VanDerWaalsContact C-N 3.28Å; F372-L374 PolarHBondContact O-N 3.29Å; F372-Q375 PolarHBondContact O-N 2.72Å; F372-N376 WeakPolarHBondContact CE2-ND2 3.32Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.45Å; F372-N376 PolarHBondContact O-N 3.48Å; F372-N376 PolarHBondContact O-ND2 2.94Å; F372-F433 AromaticContact CD1-CE1 3.97Å; F372-F433 HydrophobicContact CD1-CE1 3.97Å; F372-F433 HydrophobicContact CD1-CZ 4.14Å; F372-F433 AromaticContact CE1-CE1 3.88Å; F372-F433 HydrophobicContact CE1-CE1 3.88Å; F372-F433 AromaticContact CE1-CZ 3.73Å; F372-F433 HydrophobicContact CE1-CZ 3.73Å; F372-Y434 WeakPolarHBondContact CD1-OH 3.42Å; F372-F437 AromaticContact CE1-CE2 3.82Å; F372-F437 HydrophobicContact CE1-CE2 3.82Å; F372-F437 HydrophobicContact CE1-CZ 4.37Å; F372-F437 HydrophobicContact CZ-CE2 4.38Å; F372-I444 HydrophobicContact CB-CG2 4Å; F372-I444 HydrophobicContact CD1-CG2 3.61Å; F372-I444 HydrophobicContact CD2-CG2 3.38Å; F372-I444 HydrophobicContact CE1-CG1 4.45Å; F372-I444 HydrophobicContact CE1-CG2 3.83Å; F372-I444 HydrophobicContact CE2-CG2 3.61Å; F372-I444 HydrophobicContact CG-CG2 3.36Å; F372-I444 HydrophobicContact CZ-CG2 3.83Å; F372-L446 HydrophobicContact CB-CD1 4Å; F372-L446 HydrophobicContact CB-CG 4.29Å; F372-L446 HydrophobicContact CD2-CD1 4.46Å; F372-G449 WeakPolarHBondContact CE2-O 3.49Å; F372-C450 WeakPolarHBondContact CE2-O 3.48Å; F372-A451 HydrophobicContact CZ-CB 4.3Å
373F98.8Very high97.7Very high13 Ų1328.2 Ų28.26%0.05714%0.139CC..Hα-helixtrans-57.9-42.1171.9161.8-106.7000111.8L369 V370 V371 N376 C377 L426 G429 F430 F433 Y434L369-F373 WeakPolarHBondContact O-CB 3.47Å; L369-F373 PolarHBondContact O-N 3.09Å; V370-F373 PolarHBondContact O-N 3.11Å; V371-F373 PolarHBondContact O-N 2.98Å; F373-N376 CarbonylContact O-C 3.5Å; F373-N376 PolarHBondContact O-N 2.96Å; F373-N376 VanDerWaalsContact O-N 3.13Å; F373-C377 PolarHBondContact O-N 3.43Å; F373-C377 VanDerWaalsContact O-N 3.11Å; F373-C377 PolarHBondContact O-SG 3.13Å; F373-L426 HydrophobicContact CE1-CB 4.44Å; F373-L426 HydrophobicContact CE1-CD2 4.39Å; F373-L426 WeakPolarHBondContact CE1-O 3.17Å; F373-L426 HydrophobicContact CZ-CD2 4.44Å; F373-L426 WeakPolarHBondContact CZ-O 3.43Å; F373-G429 VanDerWaalsContact CZ-C 3.45Å; F373-F430 HydrophobicContact CB-CD2 4.09Å; F373-F430 HydrophobicContact CD1-CB 3.87Å; F373-F430 HydrophobicContact CD1-CD2 4.07Å; F373-F430 HydrophobicContact CD1-CG 4.49Å; F373-F430 HydrophobicContact CE1-CB 3.91Å; F373-F430 HydrophobicContact CG-CB 4.23Å; F373-F430 HydrophobicContact CG-CD2 4.11Å; F373-F430 HydrophobicContact CZ-CB 4.3Å; F373-F430 VanDerWaalsContact CZ-N 3.25Å; F373-F433 HydrophobicContact CB-CD1 4.41Å; F373-F433 HydrophobicContact CD2-CB 3.72Å; F373-F433 HydrophobicContact CD2-CD1 4.12Å; F373-F433 HydrophobicContact CD2-CD2 4.2Å; F373-F433 AromaticContact CD2-CG 3.78Å; F373-F433 HydrophobicContact CD2-CG 3.78Å; F373-F433 HydrophobicContact CE2-CB 4.05Å; F373-F433 HydrophobicContact CE2-CG 4.46Å; F373-Y434 HydrophobicContact CB-CE2 4.06Å
374L98.8Very high98Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-71.8-30.1179.5-69.1177000113.3L334 L337 V370 V371 F372 N376 V381 L382 L426L334-L374 HydrophobicContact CD1-CD1 3.71Å; L337-L374 HydrophobicContact CD1-CD1 4.02Å; L337-L374 HydrophobicContact CD1-CD2 3.92Å; L337-L374 HydrophobicContact CD1-CG 4.49Å; V370-L374 HydrophobicContact CG1-CD1 4.05Å; V370-L374 VanDerWaalsContact O-CG 3.27Å; V370-L374 WeakPolarHBondContact O-CG 3.17Å; V370-L374 PolarHBondContact O-N 2.79Å; V370-L374 VanDerWaalsContact O-N 3.09Å; V371-L374 PolarHBondContact O-N 3.24Å; V371-L374 VanDerWaalsContact O-N 3.1Å; F372-L374 VanDerWaalsContact C-N 3.28Å; F372-L374 PolarHBondContact O-N 3.29Å; L374-N376 VanDerWaalsContact C-N 3.29Å; L374-V381 HydrophobicContact CB-CB 3.95Å; L374-V381 HydrophobicContact CB-CG1 4.26Å; L374-V381 HydrophobicContact CD1-CG1 4.34Å; L374-V381 HydrophobicContact CD2-CB 3.84Å; L374-V381 HydrophobicContact CD2-CG1 3.86Å; L374-V381 HydrophobicContact CD2-CG2 4.01Å; L374-V381 HydrophobicContact CG-CB 4.39Å; L374-V381 HydrophobicContact CG-CG1 4.36Å; L374-V381 PolarHBondContact O-N 3.04Å; L374-L382 HydrophobicContact CB-CB 4.38Å; L374-L382 HydrophobicContact CB-CD1 3.95Å; L374-L382 HydrophobicContact CB-CG 4.01Å; L374-L382 HydrophobicContact CD1-CD1 4.03Å; L374-L382 HydrophobicContact CD1-CG 4.43Å; L374-L382 PolarHBondContact O-N 3.29Å; L374-L426 HydrophobicContact CD2-CD1 4.23Å; L374-L426 HydrophobicContact CD2-CD2 4.05Å
375Q98.6Very high98.1Very high13 Ų1324.4 Ų24.46%0.06112%0.123CC..Hα-helixtrans-65.3-32.4167.3-69.6170.6-29.200112.1V371 F372 L382 P383 L446V371-Q375 HydrophobicContact CG1-CG 4.48Å; V371-Q375 WeakPolarHBondContact O-CG 3.41Å; V371-Q375 PolarHBondContact O-N 2.94Å; F372-Q375 PolarHBondContact O-N 2.72Å; Q375-L382 WeakPolarHBondContact CA-O 3.4Å; Q375-L382 HydrophobicContact CG-CB 4.22Å; Q375-P383 WeakPolarHBondContact CG-O 3.44Å; Q375-P383 PolarHBondContact NE2-O 3.34Å; Q375-L446 PolarHBondContact NE2-O 3.18Å; Q375-L446 PolarHBondContact OE1-O 2.86Å
376N98.1Very high98.1Very high59 Ų5925.7 Ų25.732%0.31613%0.129SC..THydrogen-bonded Turntrans-92.52.7-178.4-78.8-95.6000114.7F372 F373 L374 F433 G449F372-N376 WeakPolarHBondContact CE2-ND2 3.32Å; F372-N376 WeakPolarHBondContact CZ-ND2 3.45Å; F372-N376 PolarHBondContact O-N 3.48Å; F372-N376 PolarHBondContact O-ND2 2.94Å; F373-N376 CarbonylContact O-C 3.5Å; F373-N376 PolarHBondContact O-N 2.96Å; F373-N376 VanDerWaalsContact O-N 3.13Å; L374-N376 VanDerWaalsContact C-N 3.29Å; N376-F433 HydrophobicContact CB-CE2 3.76Å; N376-F433 HydrophobicContact CB-CZ 3.87Å; N376-G449 PolarHBondContact ND2-O 3.2Å
377C98Very high98.1Very high12 Ų1230.2 Ų30.28%0.08115%0.15CC..SBendtrans-64.4159.7169.6-72.30000111.3F373 P379 P380 V381F373-C377 PolarHBondContact O-N 3.43Å; F373-C377 VanDerWaalsContact O-N 3.11Å; F373-C377 PolarHBondContact O-SG 3.13Å; C377-P379 VanDerWaalsContact C-C 3.41Å; C377-P379 CarbonylContact C-O 3.59Å; C377-P379 WeakPolarHBondContact CB-O 3.48Å; C377-P379 CarbonylContact O-C 3.54Å; C377-P380 WeakPolarHBondContact O-CA 3.48Å; C377-P380 VanDerWaalsContact O-N 3.13Å; C377-V381 HydrophobicContact CB-CG2 3.86Å
378R95.9Very high98.1Very high230 Ų23030.1 Ų30.187%0.86815%0.15SC*.SBendtrans-128.8106177.5-66.9-172.2179.2-170.1-0.8110.4
379P97.1Very high98Very high63 Ų6333 Ų3341%0.40916%0.161SC..SBendcis-61.6161.4-5.4-21.234.1000113.4C377 Q418 N419C377-P379 VanDerWaalsContact C-C 3.41Å; C377-P379 CarbonylContact C-O 3.59Å; C377-P379 WeakPolarHBondContact CB-O 3.48Å; C377-P379 CarbonylContact O-C 3.54Å; P379-Q418 HydrophobicContact CB-CB 4.39Å; P379-N419 HydrophobicContact CB-CB 4.31Å; P379-N419 WeakPolarHBondContact O-CB 3.34Å; P379-N419 PolarHBondContact O-ND2 3.31Å
380P97.8Very high97.8Very high70 Ų7038.3 Ų38.346%0.45519%0.189SC..  trans-60137.3174.4-25.335.9000112.2C377 S417C377-P380 WeakPolarHBondContact O-CA 3.48Å; C377-P380 VanDerWaalsContact O-N 3.13Å; P380-S417 PolarHBondContact O-OG 2.85Å
381V98.4Very high97.6Very high5 Ų541.5 Ų41.53%0.0321%0.205CC..SBendtrans-86.2-32174.5174.90000111E331 L374 C377 S417 N419 L426E331-V381 HydrophobicContact CG-CG1 3.73Å; L374-V381 HydrophobicContact CB-CB 3.95Å; L374-V381 HydrophobicContact CB-CG1 4.26Å; L374-V381 HydrophobicContact CD1-CG1 4.34Å; L374-V381 HydrophobicContact CD2-CB 3.84Å; L374-V381 HydrophobicContact CD2-CG1 3.86Å; L374-V381 HydrophobicContact CD2-CG2 4.01Å; L374-V381 HydrophobicContact CG-CB 4.39Å; L374-V381 HydrophobicContact CG-CG1 4.36Å; L374-V381 PolarHBondContact O-N 3.04Å; C377-V381 HydrophobicContact CB-CG2 3.86Å; V381-S417 WeakPolarHBondContact CA-OG 3.36Å; V381-S417 WeakPolarHBondContact O-CB 3.3Å; V381-N419 HydrophobicContact CG2-CB 3.62Å; V381-L426 HydrophobicContact CG2-CD1 4.35Å; V381-L426 HydrophobicContact CG2-CD2 3.97Å
382L98.3Very high97.4Very high4 Ų442.8 Ų42.82%0.02122%0.215CC..SBendtrans-128.2148.1175.3-66.3177.4000110.9L327 E331 L334 V371 L374 Q375L327-L382 HydrophobicContact CD1-CD1 4.32Å; L327-L382 HydrophobicContact CD2-CD1 4.42Å; L327-L382 HydrophobicContact CD2-CD2 4.24Å; E331-L382 HydrophobicContact CB-CD2 3.72Å; E331-L382 HydrophobicContact CG-CD2 4.26Å; L334-L382 HydrophobicContact CD1-CD1 4.18Å; L334-L382 HydrophobicContact CD2-CD1 4.18Å; V371-L382 HydrophobicContact CB-CD1 4.36Å; V371-L382 HydrophobicContact CG1-CD1 4.04Å; V371-L382 HydrophobicContact CG2-CD1 4.22Å; L374-L382 HydrophobicContact CB-CB 4.38Å; L374-L382 HydrophobicContact CB-CD1 3.95Å; L374-L382 HydrophobicContact CB-CG 4.01Å; L374-L382 HydrophobicContact CD1-CD1 4.03Å; L374-L382 HydrophobicContact CD1-CG 4.43Å; L374-L382 PolarHBondContact O-N 3.29Å; Q375-L382 WeakPolarHBondContact CA-O 3.4Å; Q375-L382 HydrophobicContact CG-CB 4.22Å
383P98Very high97.1Very high20 Ų2045.6 Ų45.613%0.1324%0.235CC..  trans-72.3164.5171.731.4-35.7000112.4L330 Q375 Q387 L388 M391 V414L330-P383 HydrophobicContact CD1-CG 4.43Å; Q375-P383 WeakPolarHBondContact CG-O 3.44Å; Q375-P383 PolarHBondContact NE2-O 3.34Å; P383-Q387 HydrophobicContact CB-CB 4.15Å; P383-L388 HydrophobicContact CB-CD2 4.43Å; P383-L388 HydrophobicContact CB-CG 4.2Å; P383-L388 HydrophobicContact CG-CD1 4.03Å; P383-L388 HydrophobicContact CG-CD2 3.68Å; P383-L388 HydrophobicContact CG-CG 3.73Å; P383-M391 HydrophobicContact CB-CE 4.46Å; P383-V414 HydrophobicContact CG-CG1 4.29Å
384T98.2Very high96.6Very high19 Ų1953 Ų5312%0.11727%0.269CS..  trans-76.5164.3170.281.90000111.2D386 Q387 L388 R447T384-D386 VanDerWaalsContact C-N 3.33Å; T384-Q387 HydrophobicContact CG2-CG 4.45Å; T384-Q387 PolarHBondContact O-N 3.48Å; T384-Q387 WeakPolarHBondContact OG1-CG 3.42Å; T384-Q387 PolarHBondContact OG1-N 2.74Å; T384-L388 WeakPolarHBondContact O-CG 3.48Å; T384-L388 PolarHBondContact O-N 3.2Å; T384-R447 WeakPolarHBondContact CB-O 3.2Å; T384-R447 PolarHBondContact OG1-O 3.34Å
385V98Very high96.2Very high1 Ų161 Ų611%0.00631%0.306CS..Hα-helixtrans-68.3-37.1176.2-167.80000110.7F323 L388 R389 L446 R447 P485 F486F323-V385 HydrophobicContact CE2-CG2 3.95Å; F323-V385 HydrophobicContact CZ-CG2 3.8Å; V385-L388 WeakPolarHBondContact O-CB 3.46Å; V385-L388 PolarHBondContact O-N 3.21Å; V385-L388 VanDerWaalsContact O-N 3.15Å; V385-R389 PolarHBondContact O-N 2.97Å; V385-L446 PolarHBondContact N-O 3.4Å; V385-R447 HydrophobicContact CB-CB 4.33Å; V385-R447 HydrophobicContact CB-CG 4.46Å; V385-R447 HydrophobicContact CG2-CB 4.49Å; V385-R447 PolarHBondContact N-O 3.34Å; V385-R447 VanDerWaalsContact N-O 3.1Å; V385-P485 HydrophobicContact CG2-CB 3.67Å; V385-F486 HydrophobicContact CG1-CD1 4.13Å; V385-F486 HydrophobicContact CG1-CE1 3.35Å; V385-F486 HydrophobicContact CG1-CZ 3.79Å
386D97.1Very high95.9Very high26 Ų2662 Ų6214%0.13931%0.311CS..Hα-helixtrans-61.3-44.9174.3-70.3-39.3000111T384 L388 R389 D390 R447 Q448T384-D386 VanDerWaalsContact C-N 3.33Å; D386-L388 VanDerWaalsContact C-N 3.26Å; D386-L388 PolarHBondContact O-N 3.41Å; D386-R389 WeakPolarHBondContact O-CB 3.17Å; D386-R389 PolarHBondContact O-N 2.89Å; D386-R389 IonicContact OD1-CZ 3.96Å; D386-R389 IonicContact OD1-NH1 3.63Å; D386-R389 PolarHBondContact OD1-NH1 3.16Å; D386-R389 IonicContact OD1-NH2 3.39Å; D386-D390 WeakPolarHBondContact O-CB 3.45Å; D386-D390 PolarHBondContact O-N 2.99Å; D386-R447 VanDerWaalsContact CG-CG 3.44Å; D386-R447 PolarHBondContact N-O 3.2Å; D386-R447 VanDerWaalsContact OD1-CG 3.25Å; D386-R447 WeakPolarHBondContact OD1-CG 3.44Å; D386-R447 IonicContact OD1-NH1 3.74Å; D386-R447 PolarHBondContact OD1-NH1 3.06Å; D386-R447 VanDerWaalsContact OD2-CG 3.27Å; D386-R447 WeakPolarHBondContact OD2-CG 3.13Å; D386-Q448 WeakPolarHBondContact OD2-CG 3.25Å
387Q97.2Very high95.7Very high96 Ų9666.4 Ų66.445%0.44933%0.33SS..Hα-helixtrans-59.9-35.2173.9-75.7173.3-15.800112.8P383 T384 M391P383-Q387 HydrophobicContact CB-CB 4.15Å; T384-Q387 HydrophobicContact CG2-CG 4.45Å; T384-Q387 PolarHBondContact O-N 3.48Å; T384-Q387 WeakPolarHBondContact OG1-CG 3.42Å; T384-Q387 PolarHBondContact OG1-N 2.74Å; Q387-M391 HydrophobicContact CB-CE 4.15Å; Q387-M391 WeakPolarHBondContact O-CE 3.24Å; Q387-M391 WeakPolarHBondContact O-CG 3.36Å; Q387-M391 PolarHBondContact O-N 3.43Å
388L97.6Very high95.5Very high0 Ų067.4 Ų67.40%034%0.337CS..Hα-helixtrans-71.4-42.8175.2-74.2169.2000111.8F323 L326 L327 L330 P383 T384 V385 D386 D390 M391 A392 F407 P408 V414F323-L388 HydrophobicContact CD2-CD1 4.38Å; F323-L388 HydrophobicContact CE2-CD1 3.83Å; L326-L388 HydrophobicContact CD2-CD1 4.24Å; L326-L388 HydrophobicContact CD2-CD2 4.04Å; L327-L388 HydrophobicContact CD2-CD1 4.12Å; L330-L388 HydrophobicContact CD1-CD2 4.38Å; P383-L388 HydrophobicContact CB-CD2 4.43Å; P383-L388 HydrophobicContact CB-CG 4.2Å; P383-L388 HydrophobicContact CG-CD1 4.03Å; P383-L388 HydrophobicContact CG-CD2 3.68Å; P383-L388 HydrophobicContact CG-CG 3.73Å; T384-L388 WeakPolarHBondContact O-CG 3.48Å; T384-L388 PolarHBondContact O-N 3.2Å; V385-L388 WeakPolarHBondContact O-CB 3.46Å; V385-L388 PolarHBondContact O-N 3.21Å; V385-L388 VanDerWaalsContact O-N 3.15Å; D386-L388 VanDerWaalsContact C-N 3.26Å; D386-L388 PolarHBondContact O-N 3.41Å; L388-D390 VanDerWaalsContact C-N 3.26Å; L388-D390 PolarHBondContact O-N 3.44Å; L388-M391 PolarHBondContact O-N 3.23Å; L388-M391 VanDerWaalsContact O-N 3.08Å; L388-A392 PolarHBondContact O-N 3.45Å; L388-F407 HydrophobicContact CB-CB 4.07Å; L388-P408 WeakPolarHBondContact O-CD 3.04Å; L388-V414 HydrophobicContact CD2-CB 4.49Å; L388-V414 HydrophobicContact CD2-CG1 4.01Å; L388-V414 HydrophobicContact CD2-CG2 3.61Å
389R96Very high95.5Very high61 Ų6161.4 Ų61.423%0.2333%0.325CS..Hα-helixtrans-53.3-47.7171.3175.2-162.164.7-132.3-18110.2V385 D386 M391 A392 N404 T406 E469V385-R389 PolarHBondContact O-N 2.97Å; D386-R389 WeakPolarHBondContact O-CB 3.17Å; D386-R389 PolarHBondContact O-N 2.89Å; D386-R389 IonicContact OD1-CZ 3.96Å; D386-R389 IonicContact OD1-NH1 3.63Å; D386-R389 PolarHBondContact OD1-NH1 3.16Å; D386-R389 IonicContact OD1-NH2 3.39Å; R389-M391 PolarHBondContact O-N 2.91Å; R389-M391 VanDerWaalsContact O-N 3.09Å; R389-A392 WeakPolarHBondContact O-CB 3.18Å; R389-A392 PolarHBondContact O-N 3.35Å; R389-N404 VanDerWaalsContact CD-ND2 3.31Å; R389-N404 WeakPolarHBondContact CD-ND2 3.39Å; R389-T406 HydrophobicContact CG-CG2 4.3Å; R389-E469 IonicContact NH1-OE1 3.82Å; R389-E469 PolarHBondContact NH1-OE1 3.23Å
390D95.3Very high95.3Very high111 Ų11159.4 Ų59.459%0.59431%0.311SS*.THydrogen-bonded Turntrans-70.9-2.3-177.3-55.4-15.8000113.3D386 L388D386-D390 WeakPolarHBondContact O-CB 3.45Å; D386-D390 PolarHBondContact O-N 2.99Å; L388-D390 VanDerWaalsContact C-N 3.26Å; L388-D390 PolarHBondContact O-N 3.44Å
391M95.4Very high94.8Very high68 Ų6861.3 Ų61.334%0.33532%0.318SS..THydrogen-bonded Turntrans-111.40.3172.3-73.9-174.8-97.500113.7P383 Q387 L388 R389 P408 V414P383-M391 HydrophobicContact CB-CE 4.46Å; Q387-M391 HydrophobicContact CB-CE 4.15Å; Q387-M391 WeakPolarHBondContact O-CE 3.24Å; Q387-M391 WeakPolarHBondContact O-CG 3.36Å; Q387-M391 PolarHBondContact O-N 3.43Å; L388-M391 PolarHBondContact O-N 3.23Å; L388-M391 VanDerWaalsContact O-N 3.08Å; R389-M391 PolarHBondContact O-N 2.91Å; R389-M391 VanDerWaalsContact O-N 3.09Å; M391-P408 HydrophobicContact CB-CG 4.26Å; M391-V414 HydrophobicContact CE-CG1 4.11Å; M391-V414 HydrophobicContact SD-CB 4.45Å; M391-V414 HydrophobicContact SD-CG1 4.09Å
392A94.4Very high94.4Very high27 Ų2763.2 Ų63.222%0.22334%0.338CS..  trans-81.5157.2176.800000112L388 R389 E396 T406 P408L388-A392 PolarHBondContact O-N 3.45Å; R389-A392 WeakPolarHBondContact O-CB 3.18Å; R389-A392 PolarHBondContact O-N 3.35Å; A392-E396 HydrophobicContact CB-CB 4.17Å; A392-T406 HydrophobicContact CB-CG2 3.59Å; A392-P408 HydrophobicContact CB-CG 4.43Å
393C91.1Very high94.1Very high60 Ų6063.7 Ų63.741%0.40534%0.34SS..  trans-94.2169168.965.50000112.4E395 E396C393-E395 WeakPolarHBondContact CB-OE2 3.23Å; C393-E395 PolarHBondContact O-N 3Å; C393-E395 PolarHBondContact SG-OE2 3.39Å; C393-E396 PolarHBondContact N-OE2 3.17Å; C393-E396 WeakPolarHBondContact O-CB 3.45Å; C393-E396 PolarHBondContact O-N 3.37Å
394E88.9Confident94Very high169 Ų16964.2 Ų64.279%0.7934%0.341SS*.G310 helixtrans-59.3-33.4-176.4-63.1-179.4-177.100112E396 E397E394-E396 PolarHBondContact O-N 2.91Å; E394-E397 PolarHBondContact O-N 3.28Å
395E90.5Very high93.9Very high166 Ų16663.3 Ų63.378%0.77634%0.336SS*.G310 helixtrans-72.6-8.3176.6-52.190.9156.200114.1C393C393-E395 WeakPolarHBondContact CB-OE2 3.23Å; C393-E395 PolarHBondContact O-N 3Å; C393-E395 PolarHBondContact SG-OE2 3.39Å
396E92.9Very high93.9Very high35 Ų3563.8 Ų63.816%0.16434%0.339CS..G310 helixtrans-103.41.8177.6-66.5179.9139.900113A392 C393 E394 C398 P408 S409A392-E396 HydrophobicContact CB-CB 4.17Å; C393-E396 PolarHBondContact N-OE2 3.17Å; C393-E396 WeakPolarHBondContact O-CB 3.45Å; C393-E396 PolarHBondContact O-N 3.37Å; E394-E396 PolarHBondContact O-N 2.91Å; E396-C398 PolarHBondContact O-N 3.17Å; E396-P408 WeakPolarHBondContact OE2-CA 3.47Å; E396-S409 WeakPolarHBondContact OE1-CB 3.15Å; E396-S409 PolarHBondContact OE1-N 3.22Å; E396-S409 PolarHBondContact OE1-OG 2.9Å
397E93.6Very high93.9Very high151 Ų15162.7 Ų62.771%0.70633%0.333SS*.  trans-56.2128.7172-75.8-160.1166.500111.2E394 T406E394-E397 PolarHBondContact O-N 3.28Å; E397-T406 WeakPolarHBondContact CA-OG1 3.49Å
398C94.7Very high93.8Very high33 Ų3358.1 Ų58.122%0.22331%0.311CS..  trans-14899.4-172.1-173.30000110.2E396 C405 T406E396-C398 PolarHBondContact O-N 3.17Å; C398-C405 CarbonylContact O-C 3.55Å; C398-C405 WeakPolarHBondContact O-CA 3.38Å; C398-C405 VanDerWaalsContact O-CB 3.26Å; C398-C405 WeakPolarHBondContact O-CB 3.49Å; C398-C405 PolarHBondContact O-N 2.87Å; C398-T406 PolarHBondContact N-OG1 3.44Å; C398-T406 PolarHBondContact O-N 3.46Å
399V95.1Very high93.5Very high104 Ų10461.6 Ų61.663%0.6334%0.336SS*.EExtended strand (participates in β ladder)trans-101.4128172.7-178.20000109.4W403V399-W403 WeakPolarHBondContact CA-O 3.34Å
400I92.4Very high93.3Very high22 Ų2264.2 Ų64.211%0.11335%0.351CS..EExtended strand (participates in β ladder)trans-130.2124.4-179.4-54.7178.4000108.4R315 L316 R319 G402 W403 C405R315-I400 HydrophobicContact CB-CD1 4.45Å; R315-I400 HydrophobicContact CB-CG2 3.69Å; L316-I400 HydrophobicContact CD2-CB 4.08Å; L316-I400 HydrophobicContact CD2-CG2 4.05Å; L316-I400 HydrophobicContact CG-CG2 3.93Å; R319-I400 HydrophobicContact CB-CD1 3.69Å; R319-I400 HydrophobicContact CG-CD1 3.92Å; I400-G402 PolarHBondContact O-N 3.44Å; I400-G402 VanDerWaalsContact O-N 3.07Å; I400-W403 PolarHBondContact N-O 3.28Å; I400-W403 WeakPolarHBondContact O-CB 3.43Å; I400-W403 PolarHBondContact O-N 3.11Å; I400-C405 HydrophobicContact CD1-CB 4.34Å; I400-C405 HydrophobicContact CG1-CB 4.42Å
401D88.1Confident93.2Very high110 Ų11061 Ų6159%0.58834%0.336SS*.THydrogen-bonded Turntrans52.630.7178.9-53-37.7000113.9
402G89.7Confident93Very high45 Ų4565.5 Ų65.546%0.46436%0.36SS..THydrogen-bonded Turntrans85.6-2.9-176.400000115.5I400 G470I400-G402 PolarHBondContact O-N 3.44Å; I400-G402 VanDerWaalsContact O-N 3.07Å; G402-G470 WeakPolarHBondContact O-CA 3.21Å
403W92.8Very high92.8Very high13 Ų1366.5 Ų66.55%0.04937%0.368CS..EExtended strand (participates in β ladder)trans-94.3131.9178-58.899.8000111.9V399 I400 C405 E469 P471 E487 L488 S489V399-W403 WeakPolarHBondContact CA-O 3.34Å; I400-W403 PolarHBondContact N-O 3.28Å; I400-W403 WeakPolarHBondContact O-CB 3.43Å; I400-W403 PolarHBondContact O-N 3.11Å; W403-C405 PolarHBondContact O-N 2.83Å; W403-C405 PolarHBondContact O-SG 3.39Å; W403-E469 VanDerWaalsContact CZ3-O 3.32Å; W403-E469 WeakPolarHBondContact CZ3-O 3.29Å; W403-P471 HydrophobicContact CZ2-CG 3.89Å; W403-E487 HydrophobicContact CZ2-CG 4.39Å; W403-L488 HydrophobicContact CE3-CB 4.28Å; W403-L488 HydrophobicContact CE3-CG 4.11Å; W403-L488 HydrophobicContact CH2-CB 3.86Å; W403-L488 HydrophobicContact CZ3-CB 3.49Å; W403-L488 VanDerWaalsContact CZ3-CB 3.49Å; W403-L488 HydrophobicContact CZ3-CD1 4.1Å; W403-L488 HydrophobicContact CZ3-CG 3.72Å; W403-S489 WeakPolarHBondContact CZ2-OG 3.39Å
404N94.7Very high92.9Very high31 Ų3164.1 Ų64.117%0.16635%0.351CS..EExtended strand (participates in β ladder)trans-70.9108.7172.3-171.9-4.6000109.9R389 T406 R447 E469R389-N404 VanDerWaalsContact CD-ND2 3.31Å; R389-N404 WeakPolarHBondContact CD-ND2 3.39Å; N404-T406 VanDerWaalsContact OD1-CB 3.22Å; N404-T406 WeakPolarHBondContact OD1-CB 3.49Å; N404-T406 PolarHBondContact OD1-N 3.3Å; N404-T406 PolarHBondContact OD1-OG1 3.47Å; N404-R447 PolarHBondContact O-NH2 2.97Å; N404-E469 HydrophobicContact CB-CG 4.32Å; N404-E469 WeakPolarHBondContact CB-OE2 3.25Å; N404-E469 PolarHBondContact ND2-OE1 3.33Å
405C96.6Very high92.9Very high0 Ų063.5 Ų63.50%035%0.349CS..  trans-110.219.7-178.2-53.90000112.7R319 C398 I400 W403 F407 F486R319-C405 HydrophobicContact CG-CB 3.73Å; R319-C405 PolarHBondContact NE-O 3.32Å; R319-C405 PolarHBondContact NH2-O 3.03Å; C398-C405 CarbonylContact O-C 3.55Å; C398-C405 WeakPolarHBondContact O-CA 3.38Å; C398-C405 VanDerWaalsContact O-CB 3.26Å; C398-C405 WeakPolarHBondContact O-CB 3.49Å; C398-C405 PolarHBondContact O-N 2.87Å; I400-C405 HydrophobicContact CD1-CB 4.34Å; I400-C405 HydrophobicContact CG1-CB 4.42Å; W403-C405 PolarHBondContact O-N 2.83Å; W403-C405 PolarHBondContact O-SG 3.39Å; C405-F407 WeakPolarHBondContact O-CD1 3.43Å; C405-F486 HydrophobicContact CB-CD1 3.97Å; C405-F486 HydrophobicContact CB-CE1 4.42Å; C405-F486 HydrophobicContact CB-CG 4.33Å
406T96.9Very high93Very high11 Ų1160.1 Ų60.17%0.06734%0.341CS..  trans-67.9131.3-179-56.10000111.4R389 A392 E397 C398 N404R389-T406 HydrophobicContact CG-CG2 4.3Å; A392-T406 HydrophobicContact CB-CG2 3.59Å; E397-T406 WeakPolarHBondContact CA-OG1 3.49Å; C398-T406 PolarHBondContact N-OG1 3.44Å; C398-T406 PolarHBondContact O-N 3.46Å; N404-T406 VanDerWaalsContact OD1-CB 3.22Å; N404-T406 WeakPolarHBondContact OD1-CB 3.49Å; N404-T406 PolarHBondContact OD1-N 3.3Å; N404-T406 PolarHBondContact OD1-OG1 3.47Å
407F97.3Very high93.2Very high3 Ų360.3 Ų60.31%0.01335%0.346CS..  trans-173.7153.6174.460.1-101.4000110R319 R322 F323 L326 L388 C405 F486R319-F407 HydrophobicContact CG-CE1 3.9Å; R319-F407 HydrophobicContact CG-CZ 4.24Å; R319-F407 VanDerWaalsContact NH2-CD1 3.35Å; R319-F407 VanDerWaalsContact NH2-N 3.11Å; R319-F407 PolarHBondContact NH2-O 3.27Å; R322-F407 HydrophobicContact CB-CE2 4.37Å; R322-F407 HydrophobicContact CB-CZ 4.07Å; F323-F407 HydrophobicContact CB-CE1 3.81Å; F323-F407 HydrophobicContact CB-CE2 4.29Å; F323-F407 HydrophobicContact CB-CZ 3.64Å; F323-F407 VanDerWaalsContact N-CZ 3.33Å; L326-F407 HydrophobicContact CD2-CD2 3.87Å; L388-F407 HydrophobicContact CB-CB 4.07Å; C405-F407 WeakPolarHBondContact O-CD1 3.43Å; F407-F486 AromaticContact CD1-CE1 3.69Å; F407-F486 HydrophobicContact CD1-CE1 3.69Å; F407-F486 HydrophobicContact CD1-CE2 4.44Å; F407-F486 AromaticContact CD1-CZ 3.39Å; F407-F486 HydrophobicContact CD1-CZ 3.39Å; F407-F486 AromaticContact CE1-CE1 3.93Å; F407-F486 HydrophobicContact CE1-CE1 3.93Å; F407-F486 AromaticContact CE1-CE2 3.96Å; F407-F486 HydrophobicContact CE1-CE2 3.96Å; F407-F486 AromaticContact CE1-CZ 3.32Å; F407-F486 HydrophobicContact CE1-CZ 3.32Å; F407-F486 HydrophobicContact CZ-CZ 4.48Å
408P96.4Very high93.3Very high0 Ų060.3 Ų60.30%035%0.346CS..  trans-54.2135.9-177.9-31.935.7000115.8L326 L388 M391 A392 E396 Q410 A413 V414L326-P408 WeakPolarHBondContact CD2-O 3.41Å; L388-P408 WeakPolarHBondContact O-CD 3.04Å; M391-P408 HydrophobicContact CB-CG 4.26Å; A392-P408 HydrophobicContact CB-CG 4.43Å; E396-P408 WeakPolarHBondContact OE2-CA 3.47Å; P408-Q410 VanDerWaalsContact C-N 3.32Å; P408-Q410 PolarHBondContact O-N 2.87Å; P408-A413 HydrophobicContact CB-CB 3.93Å; P408-A413 HydrophobicContact CG-CB 4.28Å; P408-V414 HydrophobicContact CB-CG2 4.23Å; P408-V414 HydrophobicContact CG-CG2 4Å
409S91.8Very high93.5Very high74 Ų7459 Ų5952%0.51734%0.337SS..SBendtrans-72.2-23.7177.561.90000113.4E396E396-S409 WeakPolarHBondContact OE1-CB 3.15Å; E396-S409 PolarHBondContact OE1-N 3.22Å; E396-S409 PolarHBondContact OE1-OG 2.9Å
410Q91.9Very high93.6Very high116 Ų11660.7 Ų60.754%0.54235%0.347SS..SBendtrans-131.2141.5-175.1-62.6-59.2-27.800112.6P408 I412 A413P408-Q410 VanDerWaalsContact C-N 3.32Å; P408-Q410 PolarHBondContact O-N 2.87Å; Q410-I412 HydrophobicContact CB-CG2 4.04Å; Q410-I412 PolarHBondContact O-N 3.1Å; Q410-I412 VanDerWaalsContact O-N 3.13Å; Q410-A413 PolarHBondContact O-N 3.48Å
411P92.6Very high93.8Very high44 Ų4463 Ų6329%0.28636%0.358SS..G310 helixtrans-56.3-28.9177.7-28.235.9000115.2L326 L330 A413 V414L326-P411 HydrophobicContact CD1-CG 4.22Å; L330-P411 HydrophobicContact CD2-CB 3.85Å; L330-P411 WeakPolarHBondContact CD2-O 3.49Å; L330-P411 HydrophobicContact CG-CB 4.41Å; P411-A413 PolarHBondContact O-N 2.62Å; P411-V414 PolarHBondContact O-N 2.83Å
412I90.1Very high94.3Very high162 Ų16261.2 Ų61.283%0.83135%0.348SS*.G310 helixtrans-66.2-20.3-174.8-164.7167.5000114.2Q410 V414Q410-I412 HydrophobicContact CB-CG2 4.04Å; Q410-I412 PolarHBondContact O-N 3.1Å; Q410-I412 VanDerWaalsContact O-N 3.13Å; I412-V414 VanDerWaalsContact C-N 3.27Å; I412-V414 PolarHBondContact O-N 2.83Å
413A89.8Confident94.7Very high48 Ų4859.1 Ų59.140%0.39733%0.326SS..G310 helixtrans-75.8-14.9177.500000113.3P408 Q410 P411P408-A413 HydrophobicContact CB-CB 3.93Å; P408-A413 HydrophobicContact CG-CB 4.28Å; Q410-A413 PolarHBondContact O-N 3.48Å; P411-A413 PolarHBondContact O-N 2.62Å
414V93.5Very high95Very high9 Ų959.3 Ų59.36%0.05533%0.33CS..SBendtrans-110.5138.7-171.6-178.50000110L330 P383 L388 M391 P408 P411 I412L330-V414 HydrophobicContact CD1-CB 4.39Å; L330-V414 HydrophobicContact CD1-CG1 4.09Å; L330-V414 HydrophobicContact CD1-CG2 4.48Å; L330-V414 HydrophobicContact CD2-CB 3.56Å; L330-V414 HydrophobicContact CD2-CG1 3.91Å; L330-V414 HydrophobicContact CD2-CG2 4.12Å; P383-V414 HydrophobicContact CG-CG1 4.29Å; L388-V414 HydrophobicContact CD2-CB 4.49Å; L388-V414 HydrophobicContact CD2-CG1 4.01Å; L388-V414 HydrophobicContact CD2-CG2 3.61Å; M391-V414 HydrophobicContact CE-CG1 4.11Å; M391-V414 HydrophobicContact SD-CB 4.45Å; M391-V414 HydrophobicContact SD-CG1 4.09Å; P408-V414 HydrophobicContact CB-CG2 4.23Å; P408-V414 HydrophobicContact CG-CG2 4Å; P411-V414 PolarHBondContact O-N 2.83Å; I412-V414 VanDerWaalsContact C-N 3.27Å; I412-V414 PolarHBondContact O-N 2.83Å
415Q90.5Very high95.1Very high157 Ų15760.4 Ų60.473%0.73434%0.34SS*.PPolyproline II helixtrans-69.6134.3-178-64.1-59.2-37.300112.3
416P92.6Very high95.2Very high94 Ų9460.4 Ų60.461%0.6134%0.34SS*.PPolyproline II helixtrans-59.9143.9177-25.734.9000113.8Q418P416-Q418 PolarHBondContact O-N 2.9Å; P416-Q418 PolarHBondContact O-NE2 3.05Å; P416-Q418 VanDerWaalsContact O-NE2 3.11Å
417S95.2Very high95.3Very high40 Ų4059.9 Ų59.928%0.2834%0.337SS..PPolyproline II helixtrans-61.3136.2178176.70000112.3P380 V381 N419P380-S417 PolarHBondContact O-OG 2.85Å; V381-S417 WeakPolarHBondContact CA-OG 3.36Å; V381-S417 WeakPolarHBondContact O-CB 3.3Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 WeakPolarHBondContact OG-CB 3.17Å; S417-N419 PolarHBondContact OG-N 2.93Å
418Q96.7Very high95.4Very high151 Ų15160.8 Ų60.871%0.70634%0.344SS*.  trans-83.92.2172.4-55.4-57.5-59.600112.9P379 P416P379-Q418 HydrophobicContact CB-CB 4.39Å; P416-Q418 PolarHBondContact O-N 2.9Å; P416-Q418 PolarHBondContact O-NE2 3.05Å; P416-Q418 VanDerWaalsContact O-NE2 3.11Å
419N98.3Very high95.5Very high5 Ų561.8 Ų61.83%0.02736%0.355CS..  trans-79.8124.3178.8-176.9-64.7000111.1R333 P379 V381 S417 Q421R333-N419 VanDerWaalsContact CZ-O 3.29Å; R333-N419 PolarHBondContact NH1-O 2.84Å; R333-N419 PolarHBondContact NH1-OD1 2.77Å; R333-N419 PolarHBondContact NH2-O 3.12Å; P379-N419 HydrophobicContact CB-CB 4.31Å; P379-N419 WeakPolarHBondContact O-CB 3.34Å; P379-N419 PolarHBondContact O-ND2 3.31Å; V381-N419 HydrophobicContact CG2-CB 3.62Å; S417-N419 VanDerWaalsContact C-N 3.26Å; S417-N419 WeakPolarHBondContact OG-CB 3.17Å; S417-N419 PolarHBondContact OG-N 2.93Å; N419-Q421 PolarHBondContact ND2-OE1 3.12Å; N419-Q421 VanDerWaalsContact OD1-CB 3.24Å; N419-Q421 WeakPolarHBondContact OD1-CB 3.19Å; N419-Q421 WeakPolarHBondContact OD1-CG 3.44Å; N419-Q421 PolarHBondContact OD1-N 3.17Å
420T97.3Very high95.8Very high139 Ų13958.3 Ų58.385%0.85333%0.33SS*.  trans-102.410.8-177.2530000114.8
421Q97.9Very high96.1Very high72 Ų7252.8 Ų52.834%0.33630%0.304SS..  trans-71.1137.9-177.7-59.1-179.3-89.900112.1R333 N419 L426R333-Q421 WeakPolarHBondContact CD-O 3.32Å; R333-Q421 PolarHBondContact NH1-O 2.81Å; N419-Q421 PolarHBondContact ND2-OE1 3.12Å; N419-Q421 VanDerWaalsContact OD1-CB 3.24Å; N419-Q421 WeakPolarHBondContact OD1-CB 3.19Å; N419-Q421 WeakPolarHBondContact OD1-CG 3.44Å; N419-Q421 PolarHBondContact OD1-N 3.17Å; Q421-L426 HydrophobicContact CB-CD2 3.87Å; Q421-L426 HydrophobicContact CB-CG 3.9Å
422D97.8Very high96.4Very high71 Ų7152.6 Ų52.638%0.3830%0.303SS..  trans-76.6168176.970.3-3.2000112.3C424 S425 L426D422-C424 PolarHBondContact O-N 2.95Å; D422-S425 PolarHBondContact O-N 3.12Å; D422-S425 WeakPolarHBondContact OD1-CA 3.16Å; D422-S425 WeakPolarHBondContact OD1-CB 3.46Å; D422-S425 PolarHBondContact OD1-N 2.88Å; D422-S425 PolarHBondContact OD1-OG 3.05Å; D422-L426 WeakPolarHBondContact O-CG 3.4Å; D422-L426 PolarHBondContact O-N 2.91Å
423L98.4Very high96.7Very high1 Ų147.2 Ų47.21%0.00527%0.273CS..Hα-helixtrans-63.8-33.7180-66.8166.5000111.5D160 M163 K164 R333 P336 L337 L427D160-L423 HydrophobicContact CB-CB 4.21Å; D160-L423 HydrophobicContact CB-CD1 4.06Å; D160-L423 WeakPolarHBondContact OD1-CB 3.47Å; D160-L423 PolarHBondContact OD1-N 2.89Å; M163-L423 HydrophobicContact CB-CD1 4.38Å; M163-L423 HydrophobicContact CE-CB 3.89Å; M163-L423 HydrophobicContact CE-CD2 4.04Å; M163-L423 HydrophobicContact CE-CG 4.45Å; M163-L423 HydrophobicContact SD-CB 3.73Å; K164-L423 HydrophobicContact CG-CD1 4.27Å; R333-L423 HydrophobicContact CB-CD2 3.66Å; R333-L423 HydrophobicContact CG-CD2 3.97Å; R333-L423 HydrophobicContact CG-CG 4.34Å; R333-L423 WeakPolarHBondContact O-CD2 3.43Å; P336-L423 HydrophobicContact CB-CD1 3.73Å; P336-L423 HydrophobicContact CB-CD2 3.93Å; P336-L423 HydrophobicContact CB-CG 4.5Å; P336-L423 HydrophobicContact CG-CD1 3.98Å; P336-L423 HydrophobicContact CG-CD2 4.36Å; L337-L423 HydrophobicContact CD1-CD2 4.35Å; L337-L423 HydrophobicContact CG-CD2 3.93Å; L423-L427 WeakPolarHBondContact O-CB 3.31Å; L423-L427 PolarHBondContact O-N 3.11Å
424C97.9Very high97.1Very high18 Ų1845 Ų4512%0.12226%0.255CS..Hα-helixtrans-55.2-50173-169.20000111.9V159 D160 D422 A428 Y520V159-C424 HydrophobicContact CB-CB 3.94Å; V159-C424 HydrophobicContact CG1-CB 4.1Å; D160-C424 WeakPolarHBondContact OD2-CB 3.42Å; D160-C424 PolarHBondContact OD2-N 2.8Å; D422-C424 PolarHBondContact O-N 2.95Å; C424-A428 WeakPolarHBondContact O-CB 3.46Å; C424-A428 PolarHBondContact O-N 3.07Å; C424-A428 VanDerWaalsContact O-N 3.13Å; C424-Y520 PolarHBondContact O-OH 2.88Å; C424-Y520 VanDerWaalsContact SG-CE1 3.52Å
425S98Very high97.1Very high54 Ų5446 Ų4638%0.37826%0.261SS..Hα-helixtrans-71.7-42-179.5-59.50000112.4D422 A428 G429D422-S425 PolarHBondContact O-N 3.12Å; D422-S425 WeakPolarHBondContact OD1-CA 3.16Å; D422-S425 WeakPolarHBondContact OD1-CB 3.46Å; D422-S425 PolarHBondContact OD1-N 2.88Å; D422-S425 PolarHBondContact OD1-OG 3.05Å; S425-A428 PolarHBondContact O-N 3.48Å; S425-G429 PolarHBondContact O-N 3.27Å
426L98.8Very high96.9Very high0 Ų045.4 Ų45.40%026%0.258CS..Hα-helixtrans-66.8-39178.2-69.1174.7000111.9R333 L337 F373 L374 V381 Q421 D422 G429 F430R333-L426 HydrophobicContact CB-CD1 4.3Å; L337-L426 HydrophobicContact CD1-CB 3.88Å; L337-L426 HydrophobicContact CD1-CD1 4.01Å; L337-L426 HydrophobicContact CD2-CB 4.01Å; F373-L426 HydrophobicContact CE1-CB 4.44Å; F373-L426 HydrophobicContact CE1-CD2 4.39Å; F373-L426 WeakPolarHBondContact CE1-O 3.17Å; F373-L426 HydrophobicContact CZ-CD2 4.44Å; F373-L426 WeakPolarHBondContact CZ-O 3.43Å; L374-L426 HydrophobicContact CD2-CD1 4.23Å; L374-L426 HydrophobicContact CD2-CD2 4.05Å; V381-L426 HydrophobicContact CG2-CD1 4.35Å; V381-L426 HydrophobicContact CG2-CD2 3.97Å; Q421-L426 HydrophobicContact CB-CD2 3.87Å; Q421-L426 HydrophobicContact CB-CG 3.9Å; D422-L426 WeakPolarHBondContact O-CG 3.4Å; D422-L426 PolarHBondContact O-N 2.91Å; L426-G429 PolarHBondContact O-N 2.96Å; L426-F430 PolarHBondContact O-N 2.94Å
427L98.8Very high96.8Very high0 Ų042 Ų420%023%0.234CC..Hα-helixtrans-68.6-39.6175.9179.360.4000111.9M163 L337 T340 V341 L423 F431 Y520 L532 L535M163-L427 HydrophobicContact CE-CB 4.18Å; M163-L427 HydrophobicContact CE-CD2 4.05Å; M163-L427 HydrophobicContact SD-CB 4.23Å; M163-L427 HydrophobicContact SD-CD2 3.64Å; L337-L427 HydrophobicContact CD2-CB 3.91Å; T340-L427 HydrophobicContact CG2-CD1 4.33Å; T340-L427 HydrophobicContact CG2-CD2 3.72Å; V341-L427 HydrophobicContact CG2-CD1 3.91Å; L423-L427 WeakPolarHBondContact O-CB 3.31Å; L423-L427 PolarHBondContact O-N 3.11Å; L427-F431 HydrophobicContact CD1-CD2 4.42Å; L427-F431 HydrophobicContact CD1-CE2 3.56Å; L427-F431 HydrophobicContact CD1-CZ 3.82Å; L427-F431 HydrophobicContact CG-CE2 3.83Å; L427-F431 WeakPolarHBondContact O-CD2 3.28Å; L427-F431 PolarHBondContact O-N 2.85Å; L427-Y520 WeakPolarHBondContact CB-OH 3.31Å; L427-Y520 HydrophobicContact CD2-CE2 4.45Å; L427-L532 HydrophobicContact CD2-CD1 4.1Å; L427-L535 HydrophobicContact CD2-CD2 3.91Å; L427-L535 HydrophobicContact CG-CD2 4.47Å
428A98.3Very high96.4Very high21 Ų2143.2 Ų43.217%0.17424%0.237CC..Hα-helixtrans-65.2-39.6171.700000112C424 S425 F431 T432 C515 Y520C424-A428 WeakPolarHBondContact O-CB 3.46Å; C424-A428 PolarHBondContact O-N 3.07Å; C424-A428 VanDerWaalsContact O-N 3.13Å; S425-A428 PolarHBondContact O-N 3.48Å; A428-F431 PolarHBondContact O-N 2.78Å; A428-T432 PolarHBondContact O-N 2.85Å; A428-T432 PolarHBondContact O-OG1 2.84Å; A428-C515 HydrophobicContact CB-CB 3.74Å; A428-Y520 HydrophobicContact CB-CE1 4.23Å
429G98.4Very high95.8Very high21 Ų2136.1 Ų36.122%0.21620%0.204CC..Hα-helixtrans-60.8-44.6175.800000112.3F373 S425 L426 F431 T432 F433F373-G429 VanDerWaalsContact CZ-C 3.45Å; S425-G429 PolarHBondContact O-N 3.27Å; L426-G429 PolarHBondContact O-N 2.96Å; G429-F431 PolarHBondContact O-N 3.27Å; G429-T432 WeakPolarHBondContact O-CB 3.27Å; G429-T432 PolarHBondContact O-N 2.68Å; G429-T432 VanDerWaalsContact O-N 3.12Å; G429-F433 VanDerWaalsContact O-CB 3.31Å; G429-F433 WeakPolarHBondContact O-CB 3.38Å; G429-F433 PolarHBondContact O-N 2.86Å
430F98.8Very high94.7Very high1 Ų139.1 Ų39.10%0.00422%0.224CC..Hα-helixtrans-55.5-47.3177.2172.5-90.9000112.1V341 L369 V370 F373 L426 Y434 F504V341-F430 HydrophobicContact CG1-CE1 3.72Å; V341-F430 HydrophobicContact CG1-CE2 4.28Å; V341-F430 HydrophobicContact CG1-CZ 3.56Å; V341-F430 HydrophobicContact CG2-CD1 4Å; V341-F430 HydrophobicContact CG2-CE1 3.98Å; V341-F430 HydrophobicContact CG2-CG 4.36Å; V341-F430 HydrophobicContact CG2-CZ 4.3Å; L369-F430 HydrophobicContact CB-CE2 4.46Å; V370-F430 HydrophobicContact CB-CE2 4.49Å; V370-F430 HydrophobicContact CG2-CD2 4.14Å; V370-F430 HydrophobicContact CG2-CE2 3.69Å; V370-F430 HydrophobicContact CG2-CZ 4.31Å; F373-F430 HydrophobicContact CB-CD2 4.09Å; F373-F430 HydrophobicContact CD1-CB 3.87Å; F373-F430 HydrophobicContact CD1-CD2 4.07Å; F373-F430 HydrophobicContact CD1-CG 4.49Å; F373-F430 HydrophobicContact CE1-CB 3.91Å; F373-F430 HydrophobicContact CG-CB 4.23Å; F373-F430 HydrophobicContact CG-CD2 4.11Å; F373-F430 HydrophobicContact CZ-CB 4.3Å; F373-F430 VanDerWaalsContact CZ-N 3.25Å; L426-F430 PolarHBondContact O-N 2.94Å; F430-Y434 AromaticContact CD2-CD2 3.84Å; F430-Y434 HydrophobicContact CD2-CD2 3.84Å; F430-Y434 AromaticContact CD2-CE2 3.84Å; F430-Y434 HydrophobicContact CD2-CE2 3.84Å; F430-Y434 HydrophobicContact CE1-CD2 4.39Å; F430-Y434 AromaticContact CE2-CD2 3.56Å; F430-Y434 HydrophobicContact CE2-CD2 3.56Å; F430-Y434 AromaticContact CE2-CE2 3.46Å; F430-Y434 HydrophobicContact CE2-CE2 3.46Å; F430-Y434 VanDerWaalsContact CE2-CE2 3.46Å; F430-Y434 HydrophobicContact CG-CD2 4.37Å; F430-Y434 AromaticContact CZ-CD2 3.85Å; F430-Y434 HydrophobicContact CZ-CD2 3.85Å; F430-Y434 HydrophobicContact CZ-CE2 4.12Å; F430-Y434 PolarHBondContact O-N 3.47Å; F430-Y434 VanDerWaalsContact O-N 3.13Å; F430-F504 HydrophobicContact CZ-CZ 4.37Å
431F98.6Very high93.7Very high0 Ų035.4 Ų35.40%020%0.204CC..Hα-helixtrans-69.3-35.1177.4-61-55.3000112.8W344 L427 A428 G429 T435 A511 D512 L535W344-F431 AromaticContact CD2-CE1 3.68Å; W344-F431 HydrophobicContact CD2-CE1 3.68Å; W344-F431 AromaticContact CD2-CZ 3.94Å; W344-F431 HydrophobicContact CD2-CZ 3.94Å; W344-F431 AromaticContact CE2-CE1 3.49Å; W344-F431 VanDerWaalsContact CE2-CE1 3.49Å; W344-F431 AromaticContact CE2-CZ 3.92Å; W344-F431 AromaticContact CE3-CE1 3.86Å; W344-F431 HydrophobicContact CE3-CE1 3.86Å; W344-F431 HydrophobicContact CE3-CZ 4.41Å; W344-F431 HydrophobicContact CG-CE1 4.36Å; W344-F431 HydrophobicContact CG-CZ 4.14Å; W344-F431 HydrophobicContact CH2-CD1 4.24Å; W344-F431 AromaticContact CH2-CE1 3.76Å; W344-F431 HydrophobicContact CH2-CE1 3.76Å; W344-F431 HydrophobicContact CZ2-CD1 4.09Å; W344-F431 AromaticContact CZ2-CE1 3.54Å; W344-F431 HydrophobicContact CZ2-CE1 3.54Å; W344-F431 HydrophobicContact CZ2-CZ 4.4Å; W344-F431 AromaticContact CZ3-CE1 3.91Å; W344-F431 HydrophobicContact CZ3-CE1 3.91Å; L427-F431 HydrophobicContact CD1-CD2 4.42Å; L427-F431 HydrophobicContact CD1-CE2 3.56Å; L427-F431 HydrophobicContact CD1-CZ 3.82Å; L427-F431 HydrophobicContact CG-CE2 3.83Å; L427-F431 WeakPolarHBondContact O-CD2 3.28Å; L427-F431 PolarHBondContact O-N 2.85Å; A428-F431 PolarHBondContact O-N 2.78Å; G429-F431 PolarHBondContact O-N 3.27Å; F431-T435 WeakPolarHBondContact O-CB 3.35Å; F431-T435 PolarHBondContact O-N 2.84Å; F431-T435 PolarHBondContact O-OG1 3.13Å; F431-A511 HydrophobicContact CB-CB 4.1Å; F431-A511 HydrophobicContact CD1-CB 3.53Å; F431-A511 HydrophobicContact CD2-CB 3.62Å; F431-A511 HydrophobicContact CE1-CB 3.76Å; F431-A511 HydrophobicContact CE2-CB 3.83Å; F431-A511 HydrophobicContact CG-CB 3.47Å; F431-A511 VanDerWaalsContact CG-CB 3.47Å; F431-A511 HydrophobicContact CZ-CB 3.9Å; F431-D512 HydrophobicContact CB-CB 4.04Å; F431-L535 HydrophobicContact CE2-CD1 4.07Å; F431-L535 HydrophobicContact CE2-CD2 3.85Å; F431-L535 HydrophobicContact CZ-CD1 4.25Å; F431-L535 HydrophobicContact CZ-CD2 4.19Å
432T98.1Very high92.9Very high41 Ų4132.9 Ų32.925%0.25219%0.194SC..Hα-helixtrans-65.5-47176.3-540000111.1A428 G429 T435 Q436 D512A428-T432 PolarHBondContact O-N 2.85Å; A428-T432 PolarHBondContact O-OG1 2.84Å; G429-T432 WeakPolarHBondContact O-CB 3.27Å; G429-T432 PolarHBondContact O-N 2.68Å; G429-T432 VanDerWaalsContact O-N 3.12Å; T432-T435 WeakPolarHBondContact O-CB 3.42Å; T432-T435 PolarHBondContact O-N 2.79Å; T432-Q436 WeakPolarHBondContact O-CG 3.24Å; T432-Q436 PolarHBondContact O-N 3.2Å; T432-D512 PolarHBondContact OG1-OD1 2.82Å
433F98Very high92.4Very high49 Ų4929.5 Ų29.522%0.21518%0.176CC..Hα-helixtrans-58.9-55.2179-176.2-95.5000110.8F372 F373 N376 G429 T435 Q436 F437F372-F433 AromaticContact CD1-CE1 3.97Å; F372-F433 HydrophobicContact CD1-CE1 3.97Å; F372-F433 HydrophobicContact CD1-CZ 4.14Å; F372-F433 AromaticContact CE1-CE1 3.88Å; F372-F433 HydrophobicContact CE1-CE1 3.88Å; F372-F433 AromaticContact CE1-CZ 3.73Å; F372-F433 HydrophobicContact CE1-CZ 3.73Å; F373-F433 HydrophobicContact CB-CD1 4.41Å; F373-F433 HydrophobicContact CD2-CB 3.72Å; F373-F433 HydrophobicContact CD2-CD1 4.12Å; F373-F433 HydrophobicContact CD2-CD2 4.2Å; F373-F433 AromaticContact CD2-CG 3.78Å; F373-F433 HydrophobicContact CD2-CG 3.78Å; F373-F433 HydrophobicContact CE2-CB 4.05Å; F373-F433 HydrophobicContact CE2-CG 4.46Å; N376-F433 HydrophobicContact CB-CE2 3.76Å; N376-F433 HydrophobicContact CB-CZ 3.87Å; G429-F433 VanDerWaalsContact O-CB 3.31Å; G429-F433 WeakPolarHBondContact O-CB 3.38Å; G429-F433 PolarHBondContact O-N 2.86Å; F433-T435 VanDerWaalsContact C-N 3.25Å; F433-T435 PolarHBondContact O-N 2.88Å; F433-Q436 PolarHBondContact O-N 2.93Å; F433-F437 HydrophobicContact CD1-CD2 4.5Å; F433-F437 AromaticContact CE1-CD2 3.79Å; F433-F437 HydrophobicContact CE1-CD2 3.79Å; F433-F437 HydrophobicContact CE1-CE2 4.35Å; F433-F437 HydrophobicContact CZ-CD2 4.02Å; F433-F437 HydrophobicContact CZ-CE2 4.37Å; F433-F437 PolarHBondContact O-N 3.41Å
434Y97.4Very high92.3Very high0 Ų029.5 Ų29.50%018%0.176CC..Hα-helixtrans-76.7-6.8-178.8-73.6-57000115.4L369 F372 F373 F430 F437 F439 F504L369-Y434 WeakPolarHBondContact CA-OH 3.06Å; L369-Y434 HydrophobicContact CB-CE2 4.01Å; L369-Y434 HydrophobicContact CD2-CE1 3.95Å; L369-Y434 WeakPolarHBondContact CD2-OH 3.41Å; L369-Y434 WeakPolarHBondContact O-CE2 3.27Å; L369-Y434 PolarHBondContact O-OH 3.25Å; F372-Y434 WeakPolarHBondContact CD1-OH 3.42Å; F373-Y434 HydrophobicContact CB-CE2 4.06Å; F430-Y434 AromaticContact CD2-CD2 3.84Å; F430-Y434 HydrophobicContact CD2-CD2 3.84Å; F430-Y434 AromaticContact CD2-CE2 3.84Å; F430-Y434 HydrophobicContact CD2-CE2 3.84Å; F430-Y434 HydrophobicContact CE1-CD2 4.39Å; F430-Y434 AromaticContact CE2-CD2 3.56Å; F430-Y434 HydrophobicContact CE2-CD2 3.56Å; F430-Y434 AromaticContact CE2-CE2 3.46Å; F430-Y434 HydrophobicContact CE2-CE2 3.46Å; F430-Y434 VanDerWaalsContact CE2-CE2 3.46Å; F430-Y434 HydrophobicContact CG-CD2 4.37Å; F430-Y434 AromaticContact CZ-CD2 3.85Å; F430-Y434 HydrophobicContact CZ-CD2 3.85Å; F430-Y434 HydrophobicContact CZ-CE2 4.12Å; F430-Y434 PolarHBondContact O-N 3.47Å; F430-Y434 VanDerWaalsContact O-N 3.13Å; Y434-F437 HydrophobicContact CD1-CB 3.88Å; Y434-F437 HydrophobicContact CD1-CG 4.12Å; Y434-F437 HydrophobicContact CE1-CB 4.46Å; Y434-F437 HydrophobicContact CE1-CD2 4.46Å; Y434-F437 HydrophobicContact CE1-CG 4.22Å; Y434-F439 HydrophobicContact CD1-CE1 4.15Å; Y434-F439 AromaticContact CD1-CE2 3.94Å; Y434-F439 HydrophobicContact CD1-CE2 3.94Å; Y434-F439 AromaticContact CD1-CZ 3.32Å; Y434-F439 HydrophobicContact CD1-CZ 3.32Å; Y434-F439 HydrophobicContact CE1-CE1 4.1Å; Y434-F439 AromaticContact CE1-CZ 3.72Å; Y434-F439 HydrophobicContact CE1-CZ 3.72Å; Y434-F439 HydrophobicContact CG-CZ 4.26Å; Y434-F504 HydrophobicContact CD1-CE1 4.34Å; Y434-F504 HydrophobicContact CD2-CZ 4.26Å; Y434-F504 HydrophobicContact CG-CE1 4.05Å; Y434-F504 HydrophobicContact CG-CZ 4.05Å
435T92.4Very high92.3Very high32 Ų3228.9 Ų28.920%0.19617%0.171CC..Hα-helixtrans-74.8-28.8163.7-71.10000112.1F431 T432 F433 C508 Q509F431-T435 WeakPolarHBondContact O-CB 3.35Å; F431-T435 PolarHBondContact O-N 2.84Å; F431-T435 PolarHBondContact O-OG1 3.13Å; T432-T435 WeakPolarHBondContact O-CB 3.42Å; T432-T435 PolarHBondContact O-N 2.79Å; F433-T435 VanDerWaalsContact C-N 3.25Å; F433-T435 PolarHBondContact O-N 2.88Å; T435-C508 VanDerWaalsContact OG1-C 3.3Å; T435-C508 PolarHBondContact OG1-O 3.44Å; T435-Q509 HydrophobicContact CG2-CG 3.59Å; T435-Q509 PolarHBondContact OG1-N 2.98Å
436Q88.1Confident92.3Very high143 Ų14326.3 Ų26.367%0.66815%0.154SC*.Hα-helixtrans-104.1-14.1-175.6-62.5174.320.300113.2T432 F433T432-Q436 WeakPolarHBondContact O-CG 3.24Å; T432-Q436 PolarHBondContact O-N 3.2Å; F433-Q436 PolarHBondContact O-N 2.93Å
437F90.5Very high92.1Very high24 Ų2426.8 Ų26.811%0.10516%0.156CC..  trans-70.3126.5-175-166.7-86.6000113.2F372 F433 Y434 F439 I444 A451F372-F437 AromaticContact CE1-CE2 3.82Å; F372-F437 HydrophobicContact CE1-CE2 3.82Å; F372-F437 HydrophobicContact CE1-CZ 4.37Å; F372-F437 HydrophobicContact CZ-CE2 4.38Å; F433-F437 HydrophobicContact CD1-CD2 4.5Å; F433-F437 AromaticContact CE1-CD2 3.79Å; F433-F437 HydrophobicContact CE1-CD2 3.79Å; F433-F437 HydrophobicContact CE1-CE2 4.35Å; F433-F437 HydrophobicContact CZ-CD2 4.02Å; F433-F437 HydrophobicContact CZ-CE2 4.37Å; F433-F437 PolarHBondContact O-N 3.41Å; Y434-F437 HydrophobicContact CD1-CB 3.88Å; Y434-F437 HydrophobicContact CD1-CG 4.12Å; Y434-F437 HydrophobicContact CE1-CB 4.46Å; Y434-F437 HydrophobicContact CE1-CD2 4.46Å; Y434-F437 HydrophobicContact CE1-CG 4.22Å; F437-F439 HydrophobicContact CB-CE2 4.22Å; F437-F439 HydrophobicContact CD1-CB 4.46Å; F437-F439 AromaticContact CD1-CD1 3.59Å; F437-F439 HydrophobicContact CD1-CD1 3.59Å; F437-F439 AromaticContact CD1-CD2 3.85Å; F437-F439 HydrophobicContact CD1-CD2 3.85Å; F437-F439 AromaticContact CD1-CE1 3.73Å; F437-F439 HydrophobicContact CD1-CE1 3.73Å; F437-F439 AromaticContact CD1-CE2 3.97Å; F437-F439 HydrophobicContact CD1-CE2 3.97Å; F437-F439 AromaticContact CD1-CG 3.69Å; F437-F439 HydrophobicContact CD1-CG 3.69Å; F437-F439 AromaticContact CD1-CZ 3.94Å; F437-F439 HydrophobicContact CD1-CZ 3.94Å; F437-F439 AromaticContact CE1-CD1 3.76Å; F437-F439 HydrophobicContact CE1-CD1 3.76Å; F437-F439 HydrophobicContact CE1-CE1 4.07Å; F437-F439 HydrophobicContact CE1-CG 4.17Å; F437-F439 WeakPolarHBondContact O-CD2 3.31Å; F437-F439 PolarHBondContact O-N 3.23Å; F437-F439 VanDerWaalsContact O-N 3.14Å; F437-I444 HydrophobicContact CE1-CD1 3.78Å; F437-I444 HydrophobicContact CE1-CG1 3.81Å; F437-I444 HydrophobicContact CE2-CG1 4.49Å; F437-I444 HydrophobicContact CZ-CD1 3.91Å; F437-I444 HydrophobicContact CZ-CG1 3.55Å; F437-A451 HydrophobicContact CE2-CB 3.84Å; F437-A451 HydrophobicContact CZ-CB 3.71Å
438D85.1Confident91.9Very high65 Ų6531.5 Ų31.535%0.34818%0.177SC..  trans-87.277.5-179.1-168.842.2000112.3P440 S441 S442 R557D438-P440 VanDerWaalsContact C-CD 3.47Å; D438-S441 PolarHBondContact O-N 3.43Å; D438-S441 WeakPolarHBondContact OD2-CB 3.24Å; D438-S441 PolarHBondContact OD2-OG 3.3Å; D438-S442 VanDerWaalsContact O-CB 3.24Å; D438-S442 WeakPolarHBondContact O-CB 3.36Å; D438-S442 PolarHBondContact O-N 2.67Å; D438-S442 PolarHBondContact O-OG 2.81Å; D438-R557 IonicContact OD1-NH2 4Å
439F85.3Confident91.8Very high1 Ų130.9 Ų30.90%0.00417%0.173CC..G310 helixtrans-55.4-41.8178.1-69.2-78.1000115.3L369 Y434 F437 S441 S442 I444 L480 L501 F504 Q505L369-F439 HydrophobicContact CD2-CE1 4.4Å; Y434-F439 HydrophobicContact CD1-CE1 4.15Å; Y434-F439 AromaticContact CD1-CE2 3.94Å; Y434-F439 HydrophobicContact CD1-CE2 3.94Å; Y434-F439 AromaticContact CD1-CZ 3.32Å; Y434-F439 HydrophobicContact CD1-CZ 3.32Å; Y434-F439 HydrophobicContact CE1-CE1 4.1Å; Y434-F439 AromaticContact CE1-CZ 3.72Å; Y434-F439 HydrophobicContact CE1-CZ 3.72Å; Y434-F439 HydrophobicContact CG-CZ 4.26Å; F437-F439 HydrophobicContact CB-CE2 4.22Å; F437-F439 HydrophobicContact CD1-CB 4.46Å; F437-F439 AromaticContact CD1-CD1 3.59Å; F437-F439 HydrophobicContact CD1-CD1 3.59Å; F437-F439 AromaticContact CD1-CD2 3.85Å; F437-F439 HydrophobicContact CD1-CD2 3.85Å; F437-F439 AromaticContact CD1-CE1 3.73Å; F437-F439 HydrophobicContact CD1-CE1 3.73Å; F437-F439 AromaticContact CD1-CE2 3.97Å; F437-F439 HydrophobicContact CD1-CE2 3.97Å; F437-F439 AromaticContact CD1-CG 3.69Å; F437-F439 HydrophobicContact CD1-CG 3.69Å; F437-F439 AromaticContact CD1-CZ 3.94Å; F437-F439 HydrophobicContact CD1-CZ 3.94Å; F437-F439 AromaticContact CE1-CD1 3.76Å; F437-F439 HydrophobicContact CE1-CD1 3.76Å; F437-F439 HydrophobicContact CE1-CE1 4.07Å; F437-F439 HydrophobicContact CE1-CG 4.17Å; F437-F439 WeakPolarHBondContact O-CD2 3.31Å; F437-F439 PolarHBondContact O-N 3.23Å; F437-F439 VanDerWaalsContact O-N 3.14Å; F439-S441 VanDerWaalsContact C-N 3.25Å; F439-S441 PolarHBondContact O-N 2.9Å; F439-S442 PolarHBondContact O-N 3.42Å; F439-I444 HydrophobicContact CD1-CD1 4.16Å; F439-I444 HydrophobicContact CE1-CD1 3.79Å; F439-L480 HydrophobicContact CD1-CB 4.47Å; F439-L480 HydrophobicContact CD1-CD1 3.8Å; F439-L480 HydrophobicContact CD1-CG 3.61Å; F439-L480 HydrophobicContact CE1-CD1 3.49Å; F439-L480 VanDerWaalsContact CE1-CD1 3.49Å; F439-L480 HydrophobicContact CE1-CD2 4.45Å; F439-L480 HydrophobicContact CE1-CG 3.71Å; F439-L480 HydrophobicContact CZ-CD1 4.04Å; F439-L501 HydrophobicContact CB-CD1 4Å; F439-L501 HydrophobicContact CB-CD2 4.13Å; F439-L501 HydrophobicContact CD1-CD1 4.38Å; F439-L501 HydrophobicContact CD2-CD1 3.68Å; F439-L501 HydrophobicContact CE2-CD1 4.15Å; F439-L501 HydrophobicContact CG-CD1 3.77Å; F439-F504 HydrophobicContact CE2-CD1 4.22Å; F439-F504 AromaticContact CE2-CE1 3.96Å; F439-F504 HydrophobicContact CE2-CE1 3.96Å; F439-F504 HydrophobicContact CZ-CD1 4.23Å; F439-F504 AromaticContact CZ-CE1 3.69Å; F439-F504 HydrophobicContact CZ-CE1 3.69Å; F439-Q505 HydrophobicContact CD2-CG 4.23Å; F439-Q505 HydrophobicContact CE2-CG 4.21Å
440P75.4Confident91.6Very high69 Ų6932 Ų3245%0.44818%0.177SC..G310 helixtrans-61.9-26.8-176.4-26.636.8000115.4D438 I454D438-P440 VanDerWaalsContact C-CD 3.47Å; P440-I454 WeakPolarHBondContact O-CD1 3.24Å
441S75.4Confident91.2Very high61 Ų6133.9 Ų33.943%0.42719%0.193SC..G310 helixtrans-105.2-5.5-176.6-39.60000113.6D438 F439 I454D438-S441 PolarHBondContact O-N 3.43Å; D438-S441 WeakPolarHBondContact OD2-CB 3.24Å; D438-S441 PolarHBondContact OD2-OG 3.3Å; F439-S441 VanDerWaalsContact C-N 3.25Å; F439-S441 PolarHBondContact O-N 2.9Å; S441-I454 WeakPolarHBondContact O-CG1 3.2Å; S441-I454 PolarHBondContact O-N 3.11Å
442S82.4Confident90.6Very high18 Ų1836 Ų3613%0.12620%0.204CC..EExtended strand (participates in β ladder)trans-114.7147.7-168.2-58.30000113.5D438 F439 L452 N481D438-S442 VanDerWaalsContact O-CB 3.24Å; D438-S442 WeakPolarHBondContact O-CB 3.36Å; D438-S442 PolarHBondContact O-N 2.67Å; D438-S442 PolarHBondContact O-OG 2.81Å; F439-S442 PolarHBondContact O-N 3.42Å; S442-L452 CarbonylContact C-O 3.59Å; S442-L452 WeakPolarHBondContact CA-O 3.48Å; S442-N481 WeakPolarHBondContact O-CB 3.33Å; S442-N481 PolarHBondContact O-ND2 3.35Å
443I87Confident89.7Confident0 Ų036.7 Ų36.70%021%0.21CC..EExtended strand (participates in β ladder)trans-113.6119.8162.8-56.4-178.8000108.1S445 A451 L452 I454 F457 L477 N481 L483I443-S445 PolarHBondContact O-N 2.9Å; I443-A451 WeakPolarHBondContact O-CA 3.46Å; I443-L452 HydrophobicContact CB-CB 4.45Å; I443-L452 PolarHBondContact N-O 2.58Å; I443-L452 PolarHBondContact O-N 3.45Å; I443-I454 HydrophobicContact CD1-CG1 4.1Å; I443-I454 HydrophobicContact CG1-CG1 3.59Å; I443-F457 HydrophobicContact CD1-CB 3.64Å; I443-F457 HydrophobicContact CD1-CD1 3.55Å; I443-F457 HydrophobicContact CD1-CD2 3.85Å; I443-F457 HydrophobicContact CD1-CE1 4.15Å; I443-F457 HydrophobicContact CD1-CE2 4.4Å; I443-F457 HydrophobicContact CD1-CG 3.39Å; I443-L477 HydrophobicContact CD1-CD2 3.81Å; I443-L477 HydrophobicContact CG1-CD2 4.3Å; I443-N481 HydrophobicContact CB-CB 4.37Å; I443-N481 HydrophobicContact CG1-CB 4.07Å; I443-N481 HydrophobicContact CG2-CB 4.4Å; I443-L483 HydrophobicContact CG2-CD1 3.76Å; I443-L483 HydrophobicContact CG2-CD2 3.9Å; I443-L483 HydrophobicContact CG2-CG 3.61Å
444I96.1Very high88.4Confident1 Ų135.9 Ų35.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-82.8113.9-178.8-60.6171000109.1L369 F372 F437 F439 L446 N481 L482 L483L369-I444 HydrophobicContact CD2-CD1 3.81Å; F372-I444 HydrophobicContact CB-CG2 4Å; F372-I444 HydrophobicContact CD1-CG2 3.61Å; F372-I444 HydrophobicContact CD2-CG2 3.38Å; F372-I444 HydrophobicContact CE1-CG1 4.45Å; F372-I444 HydrophobicContact CE1-CG2 3.83Å; F372-I444 HydrophobicContact CE2-CG2 3.61Å; F372-I444 HydrophobicContact CG-CG2 3.36Å; F372-I444 HydrophobicContact CZ-CG2 3.83Å; F437-I444 HydrophobicContact CE1-CD1 3.78Å; F437-I444 HydrophobicContact CE1-CG1 3.81Å; F437-I444 HydrophobicContact CE2-CG1 4.49Å; F437-I444 HydrophobicContact CZ-CD1 3.91Å; F437-I444 HydrophobicContact CZ-CG1 3.55Å; F439-I444 HydrophobicContact CD1-CD1 4.16Å; F439-I444 HydrophobicContact CE1-CD1 3.79Å; I444-L446 HydrophobicContact CG2-CD1 4.15Å; I444-N481 WeakPolarHBondContact CB-O 3.46Å; I444-N481 PolarHBondContact N-O 3.13Å; I444-L482 HydrophobicContact CB-CD1 3.66Å; I444-L482 HydrophobicContact CD1-CD1 4.25Å; I444-L482 HydrophobicContact CG2-CD1 3.38Å; I444-L483 PolarHBondContact O-N 3.22Å
445S96.8Very high87Confident5 Ų540.6 Ų40.64%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-105.9105.1177.2179.10000110.1I443 R447 Q448 G449 C450I443-S445 PolarHBondContact O-N 2.9Å; S445-R447 PolarHBondContact O-N 3.47Å; S445-Q448 PolarHBondContact OG-N 2.95Å; S445-Q448 PolarHBondContact OG-OE1 2.92Å; S445-G449 CarbonylContact O-C 3.59Å; S445-G449 VanDerWaalsContact O-CA 3.28Å; S445-G449 WeakPolarHBondContact O-CA 3.39Å; S445-G449 PolarHBondContact O-N 3.23Å; S445-C450 PolarHBondContact N-O 3.31Å; S445-C450 PolarHBondContact O-N 2.82Å
446L97.8Very high85.9Confident1 Ų142.7 Ų42.71%0.00525%0.246CC..THydrogen-bonded Turntrans-67.1-22.9170.5-86.674000112.1L368 V371 F372 Q375 V385 I444 L482 P485L368-L446 HydrophobicContact CB-CD1 4.15Å; L368-L446 HydrophobicContact CB-CD2 3.81Å; L368-L446 HydrophobicContact CD1-CD2 4.21Å; L368-L446 HydrophobicContact CD2-CD2 3.73Å; L368-L446 HydrophobicContact CG-CD2 4.1Å; V371-L446 HydrophobicContact CB-CD2 4.04Å; V371-L446 HydrophobicContact CG1-CD2 3.77Å; V371-L446 HydrophobicContact CG1-CG 4.42Å; F372-L446 HydrophobicContact CB-CD1 4Å; F372-L446 HydrophobicContact CB-CG 4.29Å; F372-L446 HydrophobicContact CD2-CD1 4.46Å; Q375-L446 PolarHBondContact NE2-O 3.18Å; Q375-L446 PolarHBondContact OE1-O 2.86Å; V385-L446 PolarHBondContact N-O 3.4Å; I444-L446 HydrophobicContact CG2-CD1 4.15Å; L446-L482 HydrophobicContact CD1-CD1 3.65Å; L446-P485 HydrophobicContact CB-CB 4.4Å
447R95.8Very high84.9Confident10 Ų1037.6 Ų37.64%0.03822%0.222CC..THydrogen-bonded Turntrans-67.1-52-176.7171.5170.2-72.8-103.817.4112.1T384 V385 D386 N404 S445 E469 P485 L488T384-R447 WeakPolarHBondContact CB-O 3.2Å; T384-R447 PolarHBondContact OG1-O 3.34Å; V385-R447 HydrophobicContact CB-CB 4.33Å; V385-R447 HydrophobicContact CB-CG 4.46Å; V385-R447 HydrophobicContact CG2-CB 4.49Å; V385-R447 PolarHBondContact N-O 3.34Å; V385-R447 VanDerWaalsContact N-O 3.1Å; D386-R447 VanDerWaalsContact CG-CG 3.44Å; D386-R447 PolarHBondContact N-O 3.2Å; D386-R447 VanDerWaalsContact OD1-CG 3.25Å; D386-R447 WeakPolarHBondContact OD1-CG 3.44Å; D386-R447 IonicContact OD1-NH1 3.74Å; D386-R447 PolarHBondContact OD1-NH1 3.06Å; D386-R447 VanDerWaalsContact OD2-CG 3.27Å; D386-R447 WeakPolarHBondContact OD2-CG 3.13Å; N404-R447 PolarHBondContact O-NH2 2.97Å; S445-R447 PolarHBondContact O-N 3.47Å; R447-E469 IonicContact CZ-OE2 2.94Å; R447-E469 VanDerWaalsContact CZ-OE2 3.26Å; R447-E469 IonicContact NH1-OE2 3.29Å; R447-E469 PolarHBondContact NH1-OE2 3.48Å; R447-E469 IonicContact NH2-OE2 2.72Å; R447-P485 PolarHBondContact NE-O 3.25Å; R447-L488 HydrophobicContact CB-CD2 4.38Å
448Q94.5Very high83.7Confident98 Ų9839.7 Ų39.746%0.45823%0.234SC..THydrogen-bonded Turntrans-89-10175.1-66.9158.4-29.600112.5D386 S445 C450D386-Q448 WeakPolarHBondContact OD2-CG 3.25Å; S445-Q448 PolarHBondContact OG-N 2.95Å; S445-Q448 PolarHBondContact OG-OE1 2.92Å; Q448-C450 VanDerWaalsContact C-N 3.26Å; Q448-C450 VanDerWaalsContact CB-SG 3.59Å; Q448-C450 PolarHBondContact O-N 2.98Å
449G96.2Very high82.4Confident9 Ų939.2 Ų39.29%0.09324%0.235CC..THydrogen-bonded Turntrans7212.2-177.100000114.6F372 N376 S445F372-G449 WeakPolarHBondContact CE2-O 3.49Å; N376-G449 PolarHBondContact ND2-O 3.2Å; S445-G449 CarbonylContact O-C 3.59Å; S445-G449 VanDerWaalsContact O-CA 3.28Å; S445-G449 WeakPolarHBondContact O-CA 3.39Å; S445-G449 PolarHBondContact O-N 3.23Å
450C94.3Very high81.1Confident44 Ų4444.3 Ų44.330%0.29726%0.259SS..EExtended strand (participates in β ladder)trans-121.9164.5-173.766.50000113.6F372 S445 Q448F372-C450 WeakPolarHBondContact CE2-O 3.48Å; S445-C450 PolarHBondContact N-O 3.31Å; S445-C450 PolarHBondContact O-N 2.82Å; Q448-C450 VanDerWaalsContact C-N 3.26Å; Q448-C450 VanDerWaalsContact CB-SG 3.59Å; Q448-C450 PolarHBondContact O-N 2.98Å
451A90.8Very high80.1Confident41 Ų4143.3 Ų43.334%0.33926%0.256SS..EExtended strand (participates in β ladder)trans-93117.7167.200000108.7F372 F437 I443F372-A451 HydrophobicContact CZ-CB 4.3Å; F437-A451 HydrophobicContact CE2-CB 3.84Å; F437-A451 HydrophobicContact CZ-CB 3.71Å; I443-A451 WeakPolarHBondContact O-CA 3.46Å
452L84.9Confident78.8Confident44 Ų4448.9 Ų48.923%0.2327%0.273CS..EExtended strand (participates in β ladder)trans-89136.3176.3-60.5176.3000109.9S442 I443 I454S442-L452 CarbonylContact C-O 3.59Å; S442-L452 WeakPolarHBondContact CA-O 3.48Å; I443-L452 HydrophobicContact CB-CB 4.45Å; I443-L452 PolarHBondContact N-O 2.58Å; I443-L452 PolarHBondContact O-N 3.45Å; L452-I454 PolarHBondContact O-N 2.83Å
453P79.1Confident77.2Confident56 Ų5653.4 Ų53.436%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-62.4135.5169.6-21.534.1000111.1T455 D456 F457P453-T455 WeakPolarHBondContact CB-OG1 3.39Å; P453-T455 PolarHBondContact O-N 2.84Å; P453-D456 HydrophobicContact CB-CB 4.3Å; P453-D456 WeakPolarHBondContact CG-OD2 3.49Å; P453-D456 PolarHBondContact O-N 3.45Å; P453-D456 VanDerWaalsContact O-N 3.09Å; P453-F457 PolarHBondContact O-N 3.37Å
454I70.9Confident75.2Confident31 Ų3156.6 Ų56.616%0.15933%0.329CS..Hα-helixtrans-60.1-32.7176.9-72.7168.6000111.3P440 S441 I443 L452 D456 F457 L458 L477P440-I454 WeakPolarHBondContact O-CD1 3.24Å; S441-I454 WeakPolarHBondContact O-CG1 3.2Å; S441-I454 PolarHBondContact O-N 3.11Å; I443-I454 HydrophobicContact CD1-CG1 4.1Å; I443-I454 HydrophobicContact CG1-CG1 3.59Å; L452-I454 PolarHBondContact O-N 2.83Å; I454-D456 VanDerWaalsContact C-N 3.27Å; I454-D456 PolarHBondContact O-N 2.92Å; I454-F457 PolarHBondContact O-N 3.31Å; I454-L458 HydrophobicContact CG2-CD1 3.56Å; I454-L458 HydrophobicContact CG2-CG 4.05Å; I454-L458 WeakPolarHBondContact O-CB 3.31Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.99Å; I454-L477 HydrophobicContact CG2-CD1 4.23Å
455T68.5Low72.7Confident99 Ų9964 Ų6461%0.60736%0.361SS*.Hα-helixtrans-55.2-42.8173.744.20000112.7P453 S459P453-T455 WeakPolarHBondContact CB-OG1 3.39Å; P453-T455 PolarHBondContact O-N 2.84Å; T455-S459 PolarHBondContact O-N 3.09Å; T455-S459 PolarHBondContact O-OG 2.95Å
456D69.3Low70.1Confident76 Ų7667.6 Ų67.641%0.40639%0.391SS..Hα-helixtrans-81.9-31.7-169.9-56.811.3000110.2P453 I454 S459 Q460P453-D456 HydrophobicContact CB-CB 4.3Å; P453-D456 WeakPolarHBondContact CG-OD2 3.49Å; P453-D456 PolarHBondContact O-N 3.45Å; P453-D456 VanDerWaalsContact O-N 3.09Å; I454-D456 VanDerWaalsContact C-N 3.27Å; I454-D456 PolarHBondContact O-N 2.92Å; D456-S459 WeakPolarHBondContact CA-OG 3.47Å; D456-S459 PolarHBondContact O-OG 3.44Å; D456-Q460 WeakPolarHBondContact O-CG 3.1Å; D456-Q460 PolarHBondContact O-N 2.92Å; D456-Q460 PolarHBondContact O-NE2 3.43Å
457F67.4Low67.5Low37 Ų3771 Ų7116%0.16242%0.415CS..Hα-helixtrans-69.3-44.3171-169-90.2000111.7I443 P453 I454 S459 Q460 A461 P475I443-F457 HydrophobicContact CD1-CB 3.64Å; I443-F457 HydrophobicContact CD1-CD1 3.55Å; I443-F457 HydrophobicContact CD1-CD2 3.85Å; I443-F457 HydrophobicContact CD1-CE1 4.15Å; I443-F457 HydrophobicContact CD1-CE2 4.4Å; I443-F457 HydrophobicContact CD1-CG 3.39Å; P453-F457 PolarHBondContact O-N 3.37Å; I454-F457 PolarHBondContact O-N 3.31Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 2.95Å; F457-Q460 PolarHBondContact O-N 3.46Å; F457-A461 PolarHBondContact O-N 2.86Å; F457-P475 HydrophobicContact CE1-CG 3.68Å; F457-P475 HydrophobicContact CZ-CG 3.47Å; F457-P475 VanDerWaalsContact CZ-CG 3.47Å
458L63.9Low65.1Low68 Ų6877.1 Ų77.136%0.35646%0.456SS..Hα-helixtrans-74.5-16.4179.4-68.9177.5000114.1I454 K462 L477I454-L458 HydrophobicContact CG2-CD1 3.56Å; I454-L458 HydrophobicContact CG2-CG 4.05Å; I454-L458 WeakPolarHBondContact O-CB 3.31Å; I454-L458 VanDerWaalsContact O-CG 3.25Å; I454-L458 WeakPolarHBondContact O-CG 3.38Å; I454-L458 PolarHBondContact O-N 2.99Å; L458-K462 WeakPolarHBondContact O-CD 3.3Å; L458-K462 WeakPolarHBondContact O-CG 3.36Å; L458-L477 HydrophobicContact CD2-CD1 4.18Å
459S59Low63Low55 Ų5574.6 Ų74.639%0.38544%0.444SS..Hα-helixtrans-84-43.1170.359.40000111.7T455 D456 F457 A461 K462 D463T455-S459 PolarHBondContact O-N 3.09Å; T455-S459 PolarHBondContact O-OG 2.95Å; D456-S459 WeakPolarHBondContact CA-OG 3.47Å; D456-S459 PolarHBondContact O-OG 3.44Å; F457-S459 VanDerWaalsContact C-N 3.32Å; F457-S459 PolarHBondContact O-N 2.95Å; S459-A461 VanDerWaalsContact C-N 3.26Å; S459-A461 PolarHBondContact O-N 3.28Å; S459-K462 PolarHBondContact O-N 3.05Å; S459-D463 PolarHBondContact O-N 3.3Å; S459-D463 VanDerWaalsContact O-N 3.14Å
460Q58.6Low61Low108 Ų10875.7 Ų75.751%0.50546%0.456SS..Hα-helixtrans-55.3-40.7174.6-74.616850.100112.3D456 F457 K462 D463D456-Q460 WeakPolarHBondContact O-CG 3.1Å; D456-Q460 PolarHBondContact O-N 2.92Å; D456-Q460 PolarHBondContact O-NE2 3.43Å; F457-Q460 PolarHBondContact O-N 3.46Å; Q460-K462 VanDerWaalsContact C-N 3.3Å; Q460-K462 PolarHBondContact O-N 3.23Å; Q460-D463 PolarHBondContact O-N 2.76Å
461A54.1Low59.1Low47 Ų4776.7 Ų76.739%0.38846%0.461SS..THydrogen-bonded Turntrans-62.5-31.2174.600000114F457 S459F457-A461 PolarHBondContact O-N 2.86Å; S459-A461 VanDerWaalsContact C-N 3.26Å; S459-A461 PolarHBondContact O-N 3.28Å
462K48.2Very low57.4Low178 Ų17880.1 Ų80.177%0.77449%0.49SS*.THydrogen-bonded Turntrans-82.4-30.8-178.8-72.6175.2-178.9178.30113.7L458 S459 Q460 G464L458-K462 WeakPolarHBondContact O-CD 3.3Å; L458-K462 WeakPolarHBondContact O-CG 3.36Å; S459-K462 PolarHBondContact O-N 3.05Å; Q460-K462 VanDerWaalsContact C-N 3.3Å; Q460-K462 PolarHBondContact O-N 3.23Å; K462-G464 PolarHBondContact O-N 3.35Å; K462-G464 VanDerWaalsContact O-N 3.14Å
463D48.1Very low56.4Low113 Ų11381.7 Ų81.760%0.60450%0.504SS*.THydrogen-bonded Turntrans-73.82.6-178-79.7-3.8000113.7S459 Q460 K465S459-D463 PolarHBondContact O-N 3.3Å; S459-D463 VanDerWaalsContact O-N 3.14Å; Q460-D463 PolarHBondContact O-N 2.76Å; D463-K465 PolarHBondContact O-N 2.95Å
464G45.7Very low55.9Low67 Ų6785.1 Ų85.169%0.69152%0.516SS*.THydrogen-bonded Turntrans68.20.6-179.400000114.6K462 A466K462-G464 PolarHBondContact O-N 3.35Å; K462-G464 VanDerWaalsContact O-N 3.14Å; G464-A466 VanDerWaalsContact C-N 3.32Å; G464-A466 PolarHBondContact O-N 2.94Å
465K42.8Very low56.3Low156 Ų15684.2 Ų84.268%0.67851%0.512SS*.  trans-74.586.1171.7-70.3175.4-177.5165.20108.9D463 S467D463-K465 PolarHBondContact O-N 2.95Å; K465-S467 PolarHBondContact O-N 2.96Å
466A41.9Very low56.6Low82 Ų8286.7 Ų86.768%0.67851%0.514SS*.  trans-50133.7167.900000109.9G464G464-A466 VanDerWaalsContact C-N 3.32Å; G464-A466 PolarHBondContact O-N 2.94Å
467S44.3Very low57.1Low71 Ų7185.8 Ų85.850%0.49751%0.509SS..  trans-52.4132.3168.8-60.50000108.9K465 E469K465-S467 PolarHBondContact O-N 2.96Å; S467-E469 PolarHBondContact O-N 3.08Å
468P44.9Very low57.5Low140 Ų14085.5 Ų85.591%0.90952%0.516SS*.SBendtrans-68-6.8-171.426.1-35.1000114.4
469E49.6Very low58.2Low45 Ų4583.9 Ų83.921%0.2151%0.51CS..SBendtrans-125.9110.1172.7-60.5-173.2165.700109.8R389 W403 N404 R447 S467R389-E469 IonicContact NH1-OE1 3.82Å; R389-E469 PolarHBondContact NH1-OE1 3.23Å; W403-E469 VanDerWaalsContact CZ3-O 3.32Å; W403-E469 WeakPolarHBondContact CZ3-O 3.29Å; N404-E469 HydrophobicContact CB-CG 4.32Å; N404-E469 WeakPolarHBondContact CB-OE2 3.25Å; N404-E469 PolarHBondContact ND2-OE1 3.33Å; R447-E469 IonicContact CZ-OE2 2.94Å; R447-E469 VanDerWaalsContact CZ-OE2 3.26Å; R447-E469 IonicContact NH1-OE2 3.29Å; R447-E469 PolarHBondContact NH1-OE2 3.48Å; R447-E469 IonicContact NH2-OE2 2.72Å; S467-E469 PolarHBondContact O-N 3.08Å
470G54.2Low59.5Low32 Ų3281.3 Ų81.333%0.3349%0.492SS..SBendtrans122.8159.6164.500000117.8G402G402-G470 WeakPolarHBondContact O-CA 3.21Å
471P55.3Low61Low64 Ų6476.2 Ų76.242%0.41647%0.468SS..  trans-67.8147.6174.327.7-36000113.4W403 S473W403-P471 HydrophobicContact CZ2-CG 3.89Å; P471-S473 VanDerWaalsContact C-N 3.28Å; P471-S473 PolarHBondContact O-N 3.43Å
472A54.1Low63Low113 Ų11374 Ų7493%0.93445%0.45SS*.SBendtrans-74.462.4-171.400000115
473S63.7Low65.2Low77 Ų7765.8 Ų65.854%0.53841%0.414SS..  trans-121.8120.5173.5-173.70000110.2P471 S489P471-S473 VanDerWaalsContact C-N 3.28Å; P471-S473 PolarHBondContact O-N 3.43Å; S473-S489 WeakPolarHBondContact O-CB 3.49Å
474E68.5Low67.6Low129 Ų12960.6 Ų60.660%0.60339%0.387SS*.  trans-71.9140.2179.2-71.2-179.6-162.500112.1K476E474-K476 PolarHBondContact O-N 2.91Å
475P79.9Confident70Confident11 Ų1157.4 Ų57.47%0.07135%0.354CS..  trans-67.3131.6174.127.8-33.6000111.6F457 L477 L483 S489F457-P475 HydrophobicContact CE1-CG 3.68Å; F457-P475 HydrophobicContact CZ-CG 3.47Å; F457-P475 VanDerWaalsContact CZ-CG 3.47Å; P475-L477 HydrophobicContact CG-CD2 4.4Å; P475-L477 PolarHBondContact O-N 3.4Å; P475-L483 HydrophobicContact CB-CD2 3.82Å; P475-L483 HydrophobicContact CG-CD2 3.96Å; P475-S489 VanDerWaalsContact CA-O 3.24Å; P475-S489 WeakPolarHBondContact CA-O 3.25Å
476K75.8Confident72.6Confident152 Ų15250 Ų5066%0.66132%0.321SS*.  trans-6398.9174.4-176-166.4165.4-150.50110.8E474 N491 G494E474-K476 PolarHBondContact O-N 2.91Å; K476-N491 WeakPolarHBondContact O-CB 3.36Å; K476-N491 PolarHBondContact O-ND2 3.43Å; K476-G494 PolarHBondContact NZ-O 3.17Å
477L79Confident75Confident57 Ų5747.3 Ų47.330%0.29830%0.295SS..  trans-67.6160.2176.8-56.3-174.9000112.4I443 I454 L458 P475 N481I443-L477 HydrophobicContact CD1-CD2 3.81Å; I443-L477 HydrophobicContact CG1-CD2 4.3Å; I454-L477 HydrophobicContact CG2-CD1 4.23Å; L458-L477 HydrophobicContact CD2-CD1 4.18Å; P475-L477 HydrophobicContact CG-CD2 4.4Å; P475-L477 PolarHBondContact O-N 3.4Å; L477-N481 VanDerWaalsContact CA-OD1 3.27Å; L477-N481 WeakPolarHBondContact CA-OD1 3.3Å; L477-N481 HydrophobicContact CD2-CB 4.42Å
478G76.9Confident77.3Confident31 Ų3145.6 Ų45.632%0.3228%0.28SS..  trans-170.1-162.8-179.600000111.7L480 N481G478-L480 VanDerWaalsContact C-N 3.31Å; G478-L480 PolarHBondContact O-N 3.32Å; G478-N481 PolarHBondContact N-OD1 2.86Å; G478-N481 PolarHBondContact O-ND2 2.69Å; G478-N481 PolarHBondContact O-OD1 3.49Å; G478-N481 VanDerWaalsContact O-OD1 3.09Å
479P78.2Confident79.4Confident33 Ų3339.9 Ų39.921%0.21424%0.243CC..SBendtrans-66-31.2-178-2436.4000113.8E498 L501P479-E498 HydrophobicContact CB-CG 4.21Å; P479-E498 HydrophobicContact CG-CB 4.48Å; P479-E498 HydrophobicContact CG-CG 3.67Å; P479-L501 HydrophobicContact CB-CB 4.37Å; P479-L501 HydrophobicContact CB-CD2 3.74Å; P479-L501 VanDerWaalsContact O-CD2 3.28Å; P479-L501 WeakPolarHBondContact O-CD2 3.37Å
480L86.6Confident81.4Confident1 Ų140 Ų401%0.00524%0.243CC..SBendtrans-123.1118172.3-165.1152.5000107.9F439 G478 L482 N491 A493 V496 L501F439-L480 HydrophobicContact CD1-CB 4.47Å; F439-L480 HydrophobicContact CD1-CD1 3.8Å; F439-L480 HydrophobicContact CD1-CG 3.61Å; F439-L480 HydrophobicContact CE1-CD1 3.49Å; F439-L480 VanDerWaalsContact CE1-CD1 3.49Å; F439-L480 HydrophobicContact CE1-CD2 4.45Å; F439-L480 HydrophobicContact CE1-CG 3.71Å; F439-L480 HydrophobicContact CZ-CD1 4.04Å; G478-L480 VanDerWaalsContact C-N 3.31Å; G478-L480 PolarHBondContact O-N 3.32Å; L480-L482 HydrophobicContact CD2-CB 3.67Å; L480-L482 HydrophobicContact CD2-CD2 4.37Å; L480-N491 PolarHBondContact O-ND2 2.97Å; L480-N491 PolarHBondContact O-OD1 3.26Å; L480-A493 HydrophobicContact CB-CB 4.35Å; L480-A493 HydrophobicContact CD2-CB 3.36Å; L480-A493 HydrophobicContact CG-CB 4.41Å; L480-V496 HydrophobicContact CB-CG1 4.42Å; L480-L501 HydrophobicContact CB-CD1 4.42Å; L480-L501 HydrophobicContact CD1-CD1 4.02Å
481N88.8Confident83.2Confident2 Ų238.7 Ų38.71%0.01123%0.229CC..  trans-109.5104.3-178.9-54.6-62.4000108.6S442 I443 I444 L477 G478S442-N481 WeakPolarHBondContact O-CB 3.33Å; S442-N481 PolarHBondContact O-ND2 3.35Å; I443-N481 HydrophobicContact CB-CB 4.37Å; I443-N481 HydrophobicContact CG1-CB 4.07Å; I443-N481 HydrophobicContact CG2-CB 4.4Å; I444-N481 WeakPolarHBondContact CB-O 3.46Å; I444-N481 PolarHBondContact N-O 3.13Å; L477-N481 VanDerWaalsContact CA-OD1 3.27Å; L477-N481 WeakPolarHBondContact CA-OD1 3.3Å; L477-N481 HydrophobicContact CD2-CB 4.42Å; G478-N481 PolarHBondContact N-OD1 2.86Å; G478-N481 PolarHBondContact O-ND2 2.69Å; G478-N481 PolarHBondContact O-OD1 3.49Å; G478-N481 VanDerWaalsContact O-OD1 3.09Å
482L96.1Very high85Confident0 Ų035.9 Ų35.90%021%0.211CC..BIsolated β-bridgetrans-129.7107.2-178.6179.162.7000107.5A365 L368 L369 I444 L446 L480 N491 V492 A493A365-L482 HydrophobicContact CB-CD2 4.04Å; A365-L482 VanDerWaalsContact O-CD2 3.32Å; A365-L482 WeakPolarHBondContact O-CD2 3.42Å; L368-L482 HydrophobicContact CB-CD1 4.38Å; L368-L482 HydrophobicContact CB-CD2 4.05Å; L368-L482 HydrophobicContact CB-CG 4.4Å; L369-L482 HydrophobicContact CD2-CD1 4.18Å; L369-L482 HydrophobicContact CD2-CD2 3.81Å; L369-L482 HydrophobicContact CG-CD2 3.78Å; I444-L482 HydrophobicContact CB-CD1 3.66Å; I444-L482 HydrophobicContact CD1-CD1 4.25Å; I444-L482 HydrophobicContact CG2-CD1 3.38Å; L446-L482 HydrophobicContact CD1-CD1 3.65Å; L480-L482 HydrophobicContact CD2-CB 3.67Å; L480-L482 HydrophobicContact CD2-CD2 4.37Å; L482-N491 PolarHBondContact N-OD1 3.29Å; L482-N491 CarbonylContact O-C 3.56Å; L482-N491 VanDerWaalsContact O-CA 3.32Å; L482-N491 WeakPolarHBondContact O-CA 3.47Å; L482-N491 PolarHBondContact O-OD1 3.01Å; L482-V492 HydrophobicContact CB-CG2 4.04Å; L482-V492 HydrophobicContact CD2-CG2 3.74Å; L482-V492 HydrophobicContact CG-CG2 3.64Å; L482-V492 WeakPolarHBondContact O-CG2 3.29Å; L482-V492 PolarHBondContact O-N 2.94Å; L482-A493 HydrophobicContact CB-CB 4.17Å
483L95.8Very high86.8Confident5 Ų530.6 Ų30.63%0.02617%0.167CC..BIsolated β-bridgetrans-74.7147.7180-55.7-173.4000110.1I443 I444 P475I443-L483 HydrophobicContact CG2-CD1 3.76Å; I443-L483 HydrophobicContact CG2-CD2 3.9Å; I443-L483 HydrophobicContact CG2-CG 3.61Å; I444-L483 PolarHBondContact O-N 3.22Å; P475-L483 HydrophobicContact CB-CD2 3.82Å; P475-L483 HydrophobicContact CG-CD2 3.96Å
484D97.1Very high88Confident5 Ų527.8 Ų27.83%0.02715%0.15CC..  trans-59144162.3-165.6-89.4000109.9N320 Y364 F486 E487 H490 V492N320-D484 PolarHBondContact ND2-OD1 3.04Å; N320-D484 PolarHBondContact ND2-OD2 3.38Å; Y364-D484 WeakPolarHBondContact CE1-OD2 3.47Å; Y364-D484 PolarHBondContact OH-OD2 2.86Å; D484-F486 PolarHBondContact O-N 2.82Å; D484-F486 PolarHBondContact OD1-N 3.2Å; D484-E487 HydrophobicContact CB-CB 4.09Å; D484-E487 WeakPolarHBondContact CB-O 3.44Å; D484-E487 PolarHBondContact OD1-N 3.48Å; D484-E487 VanDerWaalsContact OD1-N 3.08Å; D484-H490 HydrophobicContact CB-CB 4.23Å; D484-H490 PolarHBondContact N-O 3.06Å; D484-V492 HydrophobicContact CB-CG1 3.92Å
485P97.1Very high88.8Confident0 Ų024.2 Ų24.20%014%0.135CC..SBendtrans-58.7-27.5177.520.8-33.3000113.7F323 V385 L446 R447F323-P485 HydrophobicContact CD1-CB 4.41Å; F323-P485 HydrophobicContact CD1-CG 4.03Å; F323-P485 HydrophobicContact CE1-CB 3.94Å; F323-P485 HydrophobicContact CE1-CG 3.88Å; F323-P485 HydrophobicContact CZ-CB 4.25Å; V385-P485 HydrophobicContact CG2-CB 3.67Å; L446-P485 HydrophobicContact CB-CB 4.4Å; R447-P485 PolarHBondContact NE-O 3.25Å
486F96.1Very high89Confident0 Ų024.1 Ų24.10%014%0.135CC..SBendtrans-116.7-50.5-175-57.1-70.7000112.5L316 N320 F323 V385 C405 F407 D484 L488L316-F486 HydrophobicContact CD2-CB 4.37Å; N320-F486 WeakPolarHBondContact OD1-CD2 3.49Å; F323-F486 HydrophobicContact CB-CE2 3.69Å; F323-F486 HydrophobicContact CB-CZ 3.95Å; F323-F486 HydrophobicContact CD1-CE2 4.06Å; F323-F486 HydrophobicContact CD2-CE2 4.19Å; F323-F486 AromaticContact CD2-CZ 3.84Å; F323-F486 HydrophobicContact CD2-CZ 3.84Å; F323-F486 HydrophobicContact CE2-CZ 4.44Å; F323-F486 AromaticContact CG-CE2 3.74Å; F323-F486 HydrophobicContact CG-CE2 3.74Å; F323-F486 AromaticContact CG-CZ 3.87Å; F323-F486 HydrophobicContact CG-CZ 3.87Å; V385-F486 HydrophobicContact CG1-CD1 4.13Å; V385-F486 HydrophobicContact CG1-CE1 3.35Å; V385-F486 HydrophobicContact CG1-CZ 3.79Å; C405-F486 HydrophobicContact CB-CD1 3.97Å; C405-F486 HydrophobicContact CB-CE1 4.42Å; C405-F486 HydrophobicContact CB-CG 4.33Å; F407-F486 AromaticContact CD1-CE1 3.69Å; F407-F486 HydrophobicContact CD1-CE1 3.69Å; F407-F486 HydrophobicContact CD1-CE2 4.44Å; F407-F486 AromaticContact CD1-CZ 3.39Å; F407-F486 HydrophobicContact CD1-CZ 3.39Å; F407-F486 AromaticContact CE1-CE1 3.93Å; F407-F486 HydrophobicContact CE1-CE1 3.93Å; F407-F486 AromaticContact CE1-CE2 3.96Å; F407-F486 HydrophobicContact CE1-CE2 3.96Å; F407-F486 AromaticContact CE1-CZ 3.32Å; F407-F486 HydrophobicContact CE1-CZ 3.32Å; F407-F486 HydrophobicContact CZ-CZ 4.48Å; D484-F486 PolarHBondContact O-N 2.82Å; D484-F486 PolarHBondContact OD1-N 3.2Å; F486-L488 PolarHBondContact O-N 3.32Å; F486-L488 VanDerWaalsContact O-N 3.1Å
487E94.1Very high89.3Confident26 Ų2620 Ų2012%0.12112%0.12CC..  trans-82.981.2179-168.1-171.2173.400110.8R293 L316 W403 D484 S489 H490R293-E487 IonicContact CZ-OE1 2.84Å; R293-E487 IonicContact CZ-OE2 2.68Å; R293-E487 IonicContact NH1-OE2 3.2Å; R293-E487 PolarHBondContact NH1-OE2 3.43Å; R293-E487 IonicContact NH2-OE1 2.67Å; R293-E487 PolarHBondContact NH2-OE1 2.86Å; R293-E487 IonicContact NH2-OE2 3.79Å; R293-E487 PolarHBondContact NH2-OE2 3.46Å; L316-E487 HydrophobicContact CD1-CB 4.12Å; L316-E487 HydrophobicContact CD1-CG 4.18Å; W403-E487 HydrophobicContact CZ2-CG 4.39Å; D484-E487 HydrophobicContact CB-CB 4.09Å; D484-E487 WeakPolarHBondContact CB-O 3.44Å; D484-E487 PolarHBondContact OD1-N 3.48Å; D484-E487 VanDerWaalsContact OD1-N 3.08Å; E487-S489 PolarHBondContact O-N 3.13Å; E487-H490 HydrophobicContact CB-CB 4.13Å; E487-H490 HydrophobicContact CG-CB 3.88Å; E487-H490 WeakPolarHBondContact O-CA 3.18Å; E487-H490 WeakPolarHBondContact O-CB 3.38Å; E487-H490 PolarHBondContact O-N 3.22Å; E487-H490 IonicContact OE2-CG 2.79Å
488L90.8Very high89.2Confident35 Ų3521.6 Ų21.618%0.18313%0.126CC..THydrogen-bonded Turntrans-65.7-15.8-171.9-51.4179000113.8W403 R447 F486 H490W403-L488 HydrophobicContact CE3-CB 4.28Å; W403-L488 HydrophobicContact CE3-CG 4.11Å; W403-L488 HydrophobicContact CH2-CB 3.86Å; W403-L488 HydrophobicContact CZ3-CB 3.49Å; W403-L488 VanDerWaalsContact CZ3-CB 3.49Å; W403-L488 HydrophobicContact CZ3-CD1 4.1Å; W403-L488 HydrophobicContact CZ3-CG 3.72Å; R447-L488 HydrophobicContact CB-CD2 4.38Å; F486-L488 PolarHBondContact O-N 3.32Å; F486-L488 VanDerWaalsContact O-N 3.1Å; L488-H490 PolarHBondContact O-N 2.96Å
489S89.1Confident89.2Confident19 Ų1927.8 Ų27.813%0.13314%0.139CC..THydrogen-bonded Turntrans-75.6-4.1168.365.40000113.8W403 S473 P475 E487W403-S489 WeakPolarHBondContact CZ2-OG 3.39Å; S473-S489 WeakPolarHBondContact O-CB 3.49Å; P475-S489 VanDerWaalsContact CA-O 3.24Å; P475-S489 WeakPolarHBondContact CA-O 3.25Å; E487-S489 PolarHBondContact O-N 3.13Å
490H91.9Very high89.5Confident47 Ų4726.7 Ų26.722%0.21813%0.132CC..  trans-109.5103.4-178.7-171.144000113.1R293 D484 E487 L488 V492R293-H490 PolarHBondContact NH1-CD2 2.8Å; R293-H490 PolarHBondContact NH1-CE1 2.94Å; R293-H490 VanDerWaalsContact NH1-CG 3.34Å; R293-H490 PolarHBondContact NH1-ND1 3.21Å; R293-H490 PolarHBondContact NH1-NE2 3.31Å; D484-H490 HydrophobicContact CB-CB 4.23Å; D484-H490 PolarHBondContact N-O 3.06Å; E487-H490 HydrophobicContact CB-CB 4.13Å; E487-H490 HydrophobicContact CG-CB 3.88Å; E487-H490 WeakPolarHBondContact O-CA 3.18Å; E487-H490 WeakPolarHBondContact O-CB 3.38Å; E487-H490 PolarHBondContact O-N 3.22Å; E487-H490 IonicContact OE2-CG 2.79Å; L488-H490 PolarHBondContact O-N 2.96Å; H490-V492 PolarHBondContact O-N 3.3Å; H490-V492 VanDerWaalsContact O-N 3.17Å
491N92Very high89.6Confident6 Ų627.1 Ų27.13%0.03214%0.135CC..BIsolated β-bridgetrans-72101.7161.1-179.65.3000109.7K476 L480 L482 A493 G494K476-N491 WeakPolarHBondContact O-CB 3.36Å; K476-N491 PolarHBondContact O-ND2 3.43Å; L480-N491 PolarHBondContact O-ND2 2.97Å; L480-N491 PolarHBondContact O-OD1 3.26Å; L482-N491 PolarHBondContact N-OD1 3.29Å; L482-N491 CarbonylContact O-C 3.56Å; L482-N491 VanDerWaalsContact O-CA 3.32Å; L482-N491 WeakPolarHBondContact O-CA 3.47Å; L482-N491 PolarHBondContact O-OD1 3.01Å; N491-A493 PolarHBondContact O-N 2.97Å; N491-A493 VanDerWaalsContact O-N 3.08Å; N491-A493 PolarHBondContact OD1-N 3.43Å; N491-G494 PolarHBondContact O-N 2.96Å; N491-G494 PolarHBondContact OD1-N 2.89Å
492V94Very high89.3Confident5 Ų528.9 Ų28.93%0.0315%0.147CC..THydrogen-bonded Turntrans-65.1-11.2179.9-60.10000113.3N362 Y364 A365 L368 L482 D484 H490N362-V492 PolarHBondContact ND2-O 2.87Å; Y364-V492 HydrophobicContact CD1-CB 4.41Å; Y364-V492 HydrophobicContact CD1-CG1 4.09Å; Y364-V492 HydrophobicContact CE1-CG1 3.82Å; A365-V492 HydrophobicContact CB-CB 4.36Å; A365-V492 HydrophobicContact CB-CG2 3.79Å; L368-V492 HydrophobicContact CD1-CG1 4.35Å; L368-V492 HydrophobicContact CD1-CG2 4.01Å; L482-V492 HydrophobicContact CB-CG2 4.04Å; L482-V492 HydrophobicContact CD2-CG2 3.74Å; L482-V492 HydrophobicContact CG-CG2 3.64Å; L482-V492 WeakPolarHBondContact O-CG2 3.29Å; L482-V492 PolarHBondContact O-N 2.94Å; D484-V492 HydrophobicContact CB-CG1 3.92Å; H490-V492 PolarHBondContact O-N 3.3Å; H490-V492 VanDerWaalsContact O-N 3.17Å
493A92.1Very high88.9Confident1 Ų131.5 Ų31.51%0.00817%0.165CC..THydrogen-bonded Turntrans-109.910.9175.500000113.4L361 L480 L482 N491 N495 V496L361-A493 HydrophobicContact CD2-CB 4.44Å; L480-A493 HydrophobicContact CB-CB 4.35Å; L480-A493 HydrophobicContact CD2-CB 3.36Å; L480-A493 HydrophobicContact CG-CB 4.41Å; L482-A493 HydrophobicContact CB-CB 4.17Å; N491-A493 PolarHBondContact O-N 2.97Å; N491-A493 VanDerWaalsContact O-N 3.08Å; N491-A493 PolarHBondContact OD1-N 3.43Å; A493-N495 PolarHBondContact O-N 3.21Å; A493-V496 HydrophobicContact CB-CG2 4.12Å; A493-V496 WeakPolarHBondContact O-CB 3.35Å; A493-V496 WeakPolarHBondContact O-CG2 3.19Å; A493-V496 PolarHBondContact O-N 3.21Å
494G87.3Confident88.8Confident19 Ų1931.3 Ų31.320%0.19616%0.164CC..THydrogen-bonded Turntrans-64.85.9-179.600000116.3K476 N491K476-G494 PolarHBondContact NZ-O 3.17Å; N491-G494 PolarHBondContact O-N 2.96Å; N491-G494 PolarHBondContact OD1-N 2.89Å
495N85.8Confident88.4Confident53 Ų5333.3 Ų33.328%0.28317%0.174SC..THydrogen-bonded Turntrans-96.3-19.6167.973.9-68.5000113.5G358 L360 A493G358-N495 PolarHBondContact O-ND2 2.85Å; L360-N495 PolarHBondContact O-ND2 3.34Å; A493-N495 PolarHBondContact O-N 3.21Å
496V85.2Confident88Confident10 Ų1037.4 Ų37.46%0.06119%0.191CC..  trans-71.2139.4-176.3179.90000110.5P359 L361 L480 A493 L501P359-V496 WeakPolarHBondContact O-CA 3.14Å; L361-V496 HydrophobicContact CD2-CG2 3.77Å; L361-V496 HydrophobicContact CG-CG2 4.11Å; L480-V496 HydrophobicContact CB-CG1 4.42Å; A493-V496 HydrophobicContact CB-CG2 4.12Å; A493-V496 WeakPolarHBondContact O-CB 3.35Å; A493-V496 WeakPolarHBondContact O-CG2 3.19Å; A493-V496 PolarHBondContact O-N 3.21Å; V496-L501 HydrophobicContact CG1-CB 4.4Å
497N80.9Confident88Confident66 Ų6638 Ų3835%0.35320%0.196SC..  trans-111.5169.9176.372.425.2000112.1P359 R499 S500 L501P359-N497 VanDerWaalsContact CB-ND2 3.31Å; P359-N497 WeakPolarHBondContact CB-ND2 3.48Å; N497-R499 PolarHBondContact O-N 3.03Å; N497-R499 WeakPolarHBondContact OD1-CB 3.46Å; N497-R499 PolarHBondContact OD1-N 3.08Å; N497-S500 PolarHBondContact O-N 2.88Å; N497-S500 VanDerWaalsContact O-N 3.11Å; N497-S500 PolarHBondContact OD1-N 3.38Å; N497-S500 PolarHBondContact OD1-OG 3.4Å; N497-L501 PolarHBondContact O-N 2.93Å
498E78Confident88.1Confident90 Ų9036.7 Ų36.742%0.42119%0.19SC..Hα-helixtrans-56.4-36.9-176.5-63.9171.9143.100112.1P479 C502 V760 K764P479-E498 HydrophobicContact CB-CG 4.21Å; P479-E498 HydrophobicContact CG-CB 4.48Å; P479-E498 HydrophobicContact CG-CG 3.67Å; E498-C502 VanDerWaalsContact O-CB 3.25Å; E498-C502 WeakPolarHBondContact O-CB 3.33Å; E498-C502 PolarHBondContact O-N 3.33Å; E498-V760 HydrophobicContact CB-CG1 4.47Å; E498-K764 IonicContact OE1-NZ 2.71Å; E498-K764 PolarHBondContact OE1-NZ 2.94Å
499R76.8Confident88.2Confident160 Ų16039.6 Ų39.660%0.60420%0.203SC*.Hα-helixtrans-64.7-49.7175.7-177.3-176.5-71.5-170.1-4.2111.5N497 L501 C502 S503N497-R499 PolarHBondContact O-N 3.03Å; N497-R499 WeakPolarHBondContact OD1-CB 3.46Å; N497-R499 PolarHBondContact OD1-N 3.08Å; R499-L501 VanDerWaalsContact C-N 3.34Å; R499-L501 PolarHBondContact O-N 3.43Å; R499-C502 WeakPolarHBondContact O-CB 3.36Å; R499-C502 PolarHBondContact O-N 3.22Å; R499-S503 PolarHBondContact O-N 2.87Å; R499-S503 PolarHBondContact O-OG 3.34Å; R499-S503 VanDerWaalsContact O-OG 3.13Å
500S85Confident88.5Confident10 Ų1043.6 Ų43.67%0.0722%0.219CC..Hα-helixtrans-68.4-31.7-178.8-66.80000112.9P359 N497 F504P359-S500 VanDerWaalsContact O-CB 3.3Å; P359-S500 WeakPolarHBondContact O-CB 3.49Å; P359-S500 PolarHBondContact O-OG 3.12Å; N497-S500 PolarHBondContact O-N 2.88Å; N497-S500 VanDerWaalsContact O-N 3.11Å; N497-S500 PolarHBondContact OD1-N 3.38Å; N497-S500 PolarHBondContact OD1-OG 3.4Å; S500-F504 PolarHBondContact O-N 2.83Å
501L86.8Confident88.7Confident10 Ų1041.5 Ų41.55%0.05221%0.21CC..Hα-helixtrans-64.1-49.4167.6172.765.2000111.6F439 P479 L480 V496 N497 R499 S503 F504 Q505F439-L501 HydrophobicContact CB-CD1 4Å; F439-L501 HydrophobicContact CB-CD2 4.13Å; F439-L501 HydrophobicContact CD1-CD1 4.38Å; F439-L501 HydrophobicContact CD2-CD1 3.68Å; F439-L501 HydrophobicContact CE2-CD1 4.15Å; F439-L501 HydrophobicContact CG-CD1 3.77Å; P479-L501 HydrophobicContact CB-CB 4.37Å; P479-L501 HydrophobicContact CB-CD2 3.74Å; P479-L501 VanDerWaalsContact O-CD2 3.28Å; P479-L501 WeakPolarHBondContact O-CD2 3.37Å; L480-L501 HydrophobicContact CB-CD1 4.42Å; L480-L501 HydrophobicContact CD1-CD1 4.02Å; V496-L501 HydrophobicContact CG1-CB 4.4Å; N497-L501 PolarHBondContact O-N 2.93Å; R499-L501 VanDerWaalsContact C-N 3.34Å; R499-L501 PolarHBondContact O-N 3.43Å; L501-S503 VanDerWaalsContact C-N 3.3Å; L501-S503 PolarHBondContact O-N 2.83Å; L501-F504 WeakPolarHBondContact O-CA 3.39Å; L501-F504 WeakPolarHBondContact O-CB 3.36Å; L501-F504 PolarHBondContact O-N 3.46Å; L501-Q505 HydrophobicContact CD1-CG 4.25Å; L501-Q505 PolarHBondContact O-N 2.55Å
502C83.9Confident88.9Confident39 Ų3941.7 Ų41.726%0.26421%0.211SC..Hα-helixtrans-58.9-41.7177.7-179.10000111.4E498 R499 F504 Q505 K506E498-C502 VanDerWaalsContact O-CB 3.25Å; E498-C502 WeakPolarHBondContact O-CB 3.33Å; E498-C502 PolarHBondContact O-N 3.33Å; R499-C502 WeakPolarHBondContact O-CB 3.36Å; R499-C502 PolarHBondContact O-N 3.22Å; C502-F504 PolarHBondContact O-N 3.44Å; C502-Q505 PolarHBondContact O-N 2.84Å; C502-K506 VanDerWaalsContact O-CB 3.29Å; C502-K506 WeakPolarHBondContact O-CB 3.43Å; C502-K506 VanDerWaalsContact O-CG 3.3Å; C502-K506 WeakPolarHBondContact O-CG 3.48Å; C502-K506 PolarHBondContact O-N 3.1Å; C502-K506 VanDerWaalsContact SG-CE 3.52Å
503S87.5Confident88.9Confident56 Ų5649.4 Ų49.439%0.39224%0.244SC..Hα-helixtrans-61.1-40.7172.1-61.80000112.9R499 L501 A507R499-S503 PolarHBondContact O-N 2.87Å; R499-S503 PolarHBondContact O-OG 3.34Å; R499-S503 VanDerWaalsContact O-OG 3.13Å; L501-S503 VanDerWaalsContact C-N 3.3Å; L501-S503 PolarHBondContact O-N 2.83Å; S503-A507 VanDerWaalsContact O-CB 3.27Å; S503-A507 WeakPolarHBondContact O-CB 3.49Å; S503-A507 PolarHBondContact O-N 3.21Å
504F93.7Very high89.1Confident1 Ų150.8 Ų50.80%0.00425%0.25CC..Hα-helixtrans-62.3-51.2174.4175.7-99.7000111.5W344 I350 L361 L366 L369 F430 Y434 F439 S500 L501 C502 A507 C508W344-F504 HydrophobicContact CH2-CD2 4.47Å; W344-F504 HydrophobicContact CH2-CE2 4.47Å; W344-F504 HydrophobicContact CZ3-CD2 4.42Å; W344-F504 HydrophobicContact CZ3-CE2 4.22Å; I350-F504 HydrophobicContact CG2-CB 3.7Å; I350-F504 HydrophobicContact CG2-CD2 3.94Å; I350-F504 HydrophobicContact CG2-CG 4.31Å; L361-F504 HydrophobicContact CD1-CD2 3.88Å; L361-F504 HydrophobicContact CD1-CE2 4.25Å; L361-F504 HydrophobicContact CD1-CG 4.34Å; L366-F504 HydrophobicContact CD1-CE2 4.33Å; L369-F504 HydrophobicContact CD1-CE2 4.41Å; L369-F504 HydrophobicContact CD1-CZ 4.09Å; F430-F504 HydrophobicContact CZ-CZ 4.37Å; Y434-F504 HydrophobicContact CD1-CE1 4.34Å; Y434-F504 HydrophobicContact CD2-CZ 4.26Å; Y434-F504 HydrophobicContact CG-CE1 4.05Å; Y434-F504 HydrophobicContact CG-CZ 4.05Å; F439-F504 HydrophobicContact CE2-CD1 4.22Å; F439-F504 AromaticContact CE2-CE1 3.96Å; F439-F504 HydrophobicContact CE2-CE1 3.96Å; F439-F504 HydrophobicContact CZ-CD1 4.23Å; F439-F504 AromaticContact CZ-CE1 3.69Å; F439-F504 HydrophobicContact CZ-CE1 3.69Å; S500-F504 PolarHBondContact O-N 2.83Å; L501-F504 WeakPolarHBondContact O-CA 3.39Å; L501-F504 WeakPolarHBondContact O-CB 3.36Å; L501-F504 PolarHBondContact O-N 3.46Å; C502-F504 PolarHBondContact O-N 3.44Å; F504-A507 PolarHBondContact O-N 3.48Å; F504-C508 PolarHBondContact O-N 3.4Å; F504-C508 PolarHBondContact O-SG 2.66Å; F504-C508 VanDerWaalsContact O-SG 3.39Å
505Q89.3Confident89.5Confident47 Ų4750 Ų5022%0.2224%0.241CC..Hα-helixtrans-63.4-44.7179.6-70.3179.8-60.300112.5F439 L501 C502 A507 C508 Q509F439-Q505 HydrophobicContact CD2-CG 4.23Å; F439-Q505 HydrophobicContact CE2-CG 4.21Å; L501-Q505 HydrophobicContact CD1-CG 4.25Å; L501-Q505 PolarHBondContact O-N 2.55Å; C502-Q505 PolarHBondContact O-N 2.84Å; Q505-A507 VanDerWaalsContact C-N 3.32Å; Q505-A507 PolarHBondContact O-N 3.41Å; Q505-C508 PolarHBondContact O-N 2.99Å; Q505-Q509 VanDerWaalsContact O-CG 3.31Å; Q505-Q509 WeakPolarHBondContact O-CG 3.17Å; Q505-Q509 PolarHBondContact O-N 3.49Å
506K88.8Confident89.9Confident86 Ų8655 Ų5537%0.37426%0.256SS..Hα-helixtrans-57.3-44.4174.3-77.5175.3170.7-1790111.3C502 Q509 E510 E759C502-K506 VanDerWaalsContact O-CB 3.29Å; C502-K506 WeakPolarHBondContact O-CB 3.43Å; C502-K506 VanDerWaalsContact O-CG 3.3Å; C502-K506 WeakPolarHBondContact O-CG 3.48Å; C502-K506 PolarHBondContact O-N 3.1Å; C502-K506 VanDerWaalsContact SG-CE 3.52Å; K506-Q509 WeakPolarHBondContact O-CB 3.3Å; K506-Q509 PolarHBondContact O-N 2.89Å; K506-E510 PolarHBondContact O-N 2.72Å; K506-E759 IonicContact NZ-OE1 3.13Å; K506-E759 PolarHBondContact NZ-OE1 2.74Å; K506-E759 IonicContact NZ-OE2 2.8Å; K506-E759 PolarHBondContact NZ-OE2 2.64Å
507A94.8Very high90.3Very high11 Ų1155.8 Ų55.89%0.09126%0.263CS..Hα-helixtrans-70.3-36.4178.300000113.1W344 I350 S503 F504 Q505 Q509 E510 A511W344-A507 HydrophobicContact CH2-CB 4.04Å; W344-A507 HydrophobicContact CZ2-CB 3.66Å; I350-A507 HydrophobicContact CD1-CB 3.44Å; I350-A507 VanDerWaalsContact CD1-CB 3.44Å; I350-A507 HydrophobicContact CG1-CB 4.48Å; S503-A507 VanDerWaalsContact O-CB 3.27Å; S503-A507 WeakPolarHBondContact O-CB 3.49Å; S503-A507 PolarHBondContact O-N 3.21Å; F504-A507 PolarHBondContact O-N 3.48Å; Q505-A507 VanDerWaalsContact C-N 3.32Å; Q505-A507 PolarHBondContact O-N 3.41Å; A507-Q509 VanDerWaalsContact C-N 3.33Å; A507-E510 PolarHBondContact O-N 3.23Å; A507-A511 VanDerWaalsContact O-CB 3.29Å; A507-A511 WeakPolarHBondContact O-CB 3.39Å; A507-A511 PolarHBondContact O-N 2.75Å
508C96.1Very high90.8Very high0 Ų057 Ų570%027%0.274CS..Hα-helixtrans-59.9-43.1170.8-75.40000111.1T435 F504 Q505 A511 D512T435-C508 VanDerWaalsContact OG1-C 3.3Å; T435-C508 PolarHBondContact OG1-O 3.44Å; F504-C508 PolarHBondContact O-N 3.4Å; F504-C508 PolarHBondContact O-SG 2.66Å; F504-C508 VanDerWaalsContact O-SG 3.39Å; Q505-C508 PolarHBondContact O-N 2.99Å; C508-A511 PolarHBondContact O-N 2.91Å; C508-D512 VanDerWaalsContact O-CB 3.26Å; C508-D512 WeakPolarHBondContact O-CB 3.44Å; C508-D512 PolarHBondContact O-N 3.35Å
509Q94.3Very high91.4Very high96 Ų9660.2 Ų60.245%0.44928%0.282SS..Hα-helixtrans-62.6-41.4176.1-72.3164.31600112.6T435 Q505 K506 A507 K513T435-Q509 HydrophobicContact CG2-CG 3.59Å; T435-Q509 PolarHBondContact OG1-N 2.98Å; Q505-Q509 VanDerWaalsContact O-CG 3.31Å; Q505-Q509 WeakPolarHBondContact O-CG 3.17Å; Q505-Q509 PolarHBondContact O-N 3.49Å; K506-Q509 WeakPolarHBondContact O-CB 3.3Å; K506-Q509 PolarHBondContact O-N 2.89Å; A507-Q509 VanDerWaalsContact C-N 3.33Å; Q509-K513 WeakPolarHBondContact O-CB 3.47Å; Q509-K513 PolarHBondContact O-N 2.79Å; Q509-K513 VanDerWaalsContact O-N 3.09Å
510E94.4Very high92.3Very high103 Ų10352.7 Ų52.748%0.48125%0.254SS..Hα-helixtrans-64-42.8173.3-72.3-165.8159.200112.4K506 A507 F514K506-E510 PolarHBondContact O-N 2.72Å; A507-E510 PolarHBondContact O-N 3.23Å; E510-F514 WeakPolarHBondContact O-CB 3.23Å; E510-F514 PolarHBondContact O-N 2.92Å
511A96.4Very high92.5Very high3 Ų357.2 Ų57.23%0.02527%0.274CS..Hα-helixtrans-67.9-48.3-178.700000111.7W344 F431 A507 C508 K513 F514 C515 L535W344-A511 HydrophobicContact CZ2-CB 4.26Å; F431-A511 HydrophobicContact CB-CB 4.1Å; F431-A511 HydrophobicContact CD1-CB 3.53Å; F431-A511 HydrophobicContact CD2-CB 3.62Å; F431-A511 HydrophobicContact CE1-CB 3.76Å; F431-A511 HydrophobicContact CE2-CB 3.83Å; F431-A511 HydrophobicContact CG-CB 3.47Å; F431-A511 VanDerWaalsContact CG-CB 3.47Å; F431-A511 HydrophobicContact CZ-CB 3.9Å; A507-A511 VanDerWaalsContact O-CB 3.29Å; A507-A511 WeakPolarHBondContact O-CB 3.39Å; A507-A511 PolarHBondContact O-N 2.75Å; C508-A511 PolarHBondContact O-N 2.91Å; A511-K513 PolarHBondContact O-N 3.43Å; A511-F514 CarbonylContact O-C 3.54Å; A511-F514 WeakPolarHBondContact O-CA 3.26Å; A511-F514 WeakPolarHBondContact O-CB 3.41Å; A511-F514 PolarHBondContact O-N 3.44Å; A511-F514 VanDerWaalsContact O-N 3.07Å; A511-C515 WeakPolarHBondContact O-CB 3.18Å; A511-C515 PolarHBondContact O-N 2.84Å; A511-C515 PolarHBondContact O-SG 3.22Å; A511-L535 HydrophobicContact CB-CD1 3.8Å
512D96.1Very high92.6Very high10 Ų1061.3 Ų61.35%0.05330%0.296CS..Hα-helixtrans-52.1-54.4171.7166.135.8000111.3F431 T432 C508 F514 C515 R516F431-D512 HydrophobicContact CB-CB 4.04Å; T432-D512 PolarHBondContact OG1-OD1 2.82Å; C508-D512 VanDerWaalsContact O-CB 3.26Å; C508-D512 WeakPolarHBondContact O-CB 3.44Å; C508-D512 PolarHBondContact O-N 3.35Å; D512-F514 PolarHBondContact O-N 2.87Å; D512-F514 VanDerWaalsContact O-N 3.16Å; D512-C515 PolarHBondContact O-N 3.45Å; D512-R516 VanDerWaalsContact CG-NH2 3.28Å; D512-R516 WeakPolarHBondContact O-CG 3.13Å; D512-R516 PolarHBondContact O-N 3.36Å; D512-R516 IonicContact OD1-CZ 3.95Å; D512-R516 VanDerWaalsContact OD1-CZ 3.31Å; D512-R516 IonicContact OD1-NE 2.67Å; D512-R516 PolarHBondContact OD1-NE 3.08Å; D512-R516 IonicContact OD1-NH2 3.89Å; D512-R516 PolarHBondContact OD1-NH2 3.18Å; D512-R516 IonicContact OD2-CZ 3.69Å; D512-R516 IonicContact OD2-NE 2.8Å; D512-R516 PolarHBondContact OD2-NE 3.07Å; D512-R516 IonicContact OD2-NH2 3.14Å; D512-R516 PolarHBondContact OD2-NH2 2.91Å
513K95Very high92.9Very high167 Ų16763.9 Ų63.973%0.72630%0.302SS*.Hα-helixtrans-57.4-32177-175.8179.7179.4-177.90113Q509 A511Q509-K513 WeakPolarHBondContact O-CB 3.47Å; Q509-K513 PolarHBondContact O-N 2.79Å; Q509-K513 VanDerWaalsContact O-N 3.09Å; A511-K513 PolarHBondContact O-N 3.43Å
514F95.8Very high92.7Very high29 Ų2962.9 Ų62.913%0.12730%0.295CS..Hα-helixtrans-76.9-40.2173176.7-116000112.8E510 A511 D512 R516 S517 R519 Y520 R534 L535E510-F514 WeakPolarHBondContact O-CB 3.23Å; E510-F514 PolarHBondContact O-N 2.92Å; A511-F514 CarbonylContact O-C 3.54Å; A511-F514 WeakPolarHBondContact O-CA 3.26Å; A511-F514 WeakPolarHBondContact O-CB 3.41Å; A511-F514 PolarHBondContact O-N 3.44Å; A511-F514 VanDerWaalsContact O-N 3.07Å; D512-F514 PolarHBondContact O-N 2.87Å; D512-F514 VanDerWaalsContact O-N 3.16Å; F514-R516 VanDerWaalsContact C-N 3.3Å; F514-R516 PolarHBondContact O-N 3.29Å; F514-S517 WeakPolarHBondContact CD2-OG 3.32Å; F514-S517 WeakPolarHBondContact O-CB 3.4Å; F514-S517 PolarHBondContact O-N 2.82Å; F514-S517 PolarHBondContact O-OG 2.92Å; F514-R519 HydrophobicContact CE2-CB 3.9Å; F514-R519 HydrophobicContact CZ-CB 4.46Å; F514-Y520 HydrophobicContact CD1-CD2 4.29Å; F514-Y520 AromaticContact CE1-CD2 3.93Å; F514-Y520 HydrophobicContact CE1-CD2 3.93Å; F514-Y520 HydrophobicContact CE1-CG 4.4Å; F514-Y520 WeakPolarHBondContact O-CB 3.5Å; F514-R534 HydrophobicContact CE1-CB 4.17Å; F514-R534 HydrophobicContact CE1-CG 4.35Å; F514-R534 HydrophobicContact CE2-CB 4.41Å; F514-R534 HydrophobicContact CE2-CG 4.03Å; F514-R534 HydrophobicContact CZ-CB 3.73Å; F514-R534 HydrophobicContact CZ-CG 3.82Å; F514-L535 HydrophobicContact CD1-CB 4.12Å; F514-L535 HydrophobicContact CD1-CD1 4.3Å; F514-L535 HydrophobicContact CE1-CB 3.98Å
515C95.9Very high92Very high3 Ų368.6 Ų68.62%0.0234%0.335CS..Hα-helixtrans-62.7-34.4178.9-73.30000112.9A428 A511 D512 S517 Y520A428-C515 HydrophobicContact CB-CB 3.74Å; A511-C515 WeakPolarHBondContact O-CB 3.18Å; A511-C515 PolarHBondContact O-N 2.84Å; A511-C515 PolarHBondContact O-SG 3.22Å; D512-C515 PolarHBondContact O-N 3.45Å; C515-S517 PolarHBondContact O-N 2.83Å; C515-Y520 HydrophobicContact CB-CD1 3.91Å; C515-Y520 HydrophobicContact CB-CE1 3.98Å; C515-Y520 HydrophobicContact CB-CG 4.21Å; C515-Y520 VanDerWaalsContact O-CD1 3.3Å; C515-Y520 WeakPolarHBondContact O-CD1 3.24Å; C515-Y520 VanDerWaalsContact SG-CE2 3.57Å; C515-Y520 VanDerWaalsContact SG-CZ 3.59Å
516R93.5Very high91.4Very high157 Ų15774.4 Ų74.459%0.59236%0.36SS*.THydrogen-bonded Turntrans-67.7-7.4170.4-61.6-179.8-158.9-1548.6114.2D512 F514D512-R516 VanDerWaalsContact CG-NH2 3.28Å; D512-R516 WeakPolarHBondContact O-CG 3.13Å; D512-R516 PolarHBondContact O-N 3.36Å; D512-R516 IonicContact OD1-CZ 3.95Å; D512-R516 VanDerWaalsContact OD1-CZ 3.31Å; D512-R516 IonicContact OD1-NE 2.67Å; D512-R516 PolarHBondContact OD1-NE 3.08Å; D512-R516 IonicContact OD1-NH2 3.89Å; D512-R516 PolarHBondContact OD1-NH2 3.18Å; D512-R516 IonicContact OD2-CZ 3.69Å; D512-R516 IonicContact OD2-NE 2.8Å; D512-R516 PolarHBondContact OD2-NE 3.07Å; D512-R516 IonicContact OD2-NH2 3.14Å; D512-R516 PolarHBondContact OD2-NH2 2.91Å; F514-R516 VanDerWaalsContact C-N 3.3Å; F514-R516 PolarHBondContact O-N 3.29Å
517S93.8Very high90.6Very high28 Ų2873.9 Ų73.920%0.19638%0.378CS..SBendtrans-92145.6-177.584.50000112.4F514 C515 R519 Y520F514-S517 WeakPolarHBondContact CD2-OG 3.32Å; F514-S517 WeakPolarHBondContact O-CB 3.4Å; F514-S517 PolarHBondContact O-N 2.82Å; F514-S517 PolarHBondContact O-OG 2.92Å; C515-S517 PolarHBondContact O-N 2.83Å; S517-R519 PolarHBondContact O-N 3.03Å; S517-R519 PolarHBondContact OG-N 3.38Å; S517-Y520 PolarHBondContact O-N 2.86Å
518P90.8Very high90.1Very high90 Ų9080.2 Ų80.258%0.58440%0.404SS*.Hα-helixtrans-58.6-14.3173.9-27.335.5000114.8N522P518-N522 WeakPolarHBondContact O-CB 3.44Å; P518-N522 PolarHBondContact O-N 2.78Å; P518-N522 PolarHBondContact O-ND2 3.38Å
519R91.2Very high89.8Confident158 Ų15882.3 Ų82.360%0.59642%0.419SS*.Hα-helixtrans-82.5-11.9176.1-65.1-178.2-175.9167.12.9113.9F514 S517 W530 G531F514-R519 HydrophobicContact CE2-CB 3.9Å; F514-R519 HydrophobicContact CZ-CB 4.46Å; S517-R519 PolarHBondContact O-N 3.03Å; S517-R519 PolarHBondContact OG-N 3.38Å; R519-W530 CarbonylContact O-C 3.57Å; R519-W530 VanDerWaalsContact O-CA 3.23Å; R519-W530 WeakPolarHBondContact O-CA 3.19Å; R519-W530 WeakPolarHBondContact O-CB 3.49Å; R519-G531 PolarHBondContact O-N 3.22Å
520Y94.7Very high89.8Confident2 Ų277.9 Ų77.91%0.00840%0.398CS..Hα-helixtrans-85.9-53.2165.9172.5-106.6000109.5V159 C424 L427 A428 F514 C515 S517 G531 L535V159-Y520 HydrophobicContact CG1-CE2 4.16Å; V159-Y520 HydrophobicContact CG2-CD2 4.37Å; V159-Y520 HydrophobicContact CG2-CE1 4.49Å; V159-Y520 HydrophobicContact CG2-CE2 4.13Å; V159-Y520 WeakPolarHBondContact CG2-O 3.46Å; C424-Y520 PolarHBondContact O-OH 2.88Å; C424-Y520 VanDerWaalsContact SG-CE1 3.52Å; L427-Y520 WeakPolarHBondContact CB-OH 3.31Å; L427-Y520 HydrophobicContact CD2-CE2 4.45Å; A428-Y520 HydrophobicContact CB-CE1 4.23Å; F514-Y520 HydrophobicContact CD1-CD2 4.29Å; F514-Y520 AromaticContact CE1-CD2 3.93Å; F514-Y520 HydrophobicContact CE1-CD2 3.93Å; F514-Y520 HydrophobicContact CE1-CG 4.4Å; F514-Y520 WeakPolarHBondContact O-CB 3.5Å; C515-Y520 HydrophobicContact CB-CD1 3.91Å; C515-Y520 HydrophobicContact CB-CE1 3.98Å; C515-Y520 HydrophobicContact CB-CG 4.21Å; C515-Y520 VanDerWaalsContact O-CD1 3.3Å; C515-Y520 WeakPolarHBondContact O-CD1 3.24Å; C515-Y520 VanDerWaalsContact SG-CE2 3.57Å; C515-Y520 VanDerWaalsContact SG-CZ 3.59Å; S517-Y520 PolarHBondContact O-N 2.86Å; Y520-G531 WeakPolarHBondContact O-CA 3.41Å; Y520-L535 HydrophobicContact CE2-CD2 4.36Å
521Q90.7Very high89.8Confident105 Ų10573 Ų7349%0.49138%0.375SS..Hα-helixtrans-68.7-41.3-172.4-62.3169.8-14.800114.1
522N88.6Confident89.8Confident96 Ų9672.9 Ų72.951%0.51337%0.374SS..SBendtrans-112.7138.5-168.3-59.3-79.9000113.3P518 W530P518-N522 WeakPolarHBondContact O-CB 3.44Å; P518-N522 PolarHBondContact O-N 2.78Å; P518-N522 PolarHBondContact O-ND2 3.38Å; N522-W530 VanDerWaalsContact C-CE3 3.48Å
523K89.4Confident89.6Confident94 Ų9472.4 Ų72.441%0.40937%0.372SS..  trans-59.9136.4174-173.4176.3-169.7170.80112Q155 L156 S525 W530Q155-K523 PolarHBondContact O-NZ 3.12Å; L156-K523 VanDerWaalsContact O-CD 3.24Å; L156-K523 WeakPolarHBondContact O-CD 3.48Å; L156-K523 VanDerWaalsContact O-CE 3.25Å; L156-K523 WeakPolarHBondContact O-CE 3.47Å; L156-K523 PolarHBondContact O-NZ 3.04Å; K523-S525 PolarHBondContact O-N 3.34Å; K523-W530 HydrophobicContact CB-CD2 4.36Å; K523-W530 HydrophobicContact CB-CH2 4.13Å; K523-W530 HydrophobicContact CB-CZ2 3.8Å; K523-W530 HydrophobicContact CD-CZ2 4.49Å; K523-W530 HydrophobicContact CG-CZ2 3.91Å
524S84.5Confident89.5Confident34 Ų3468.8 Ų68.824%0.23835%0.353CS..  trans-76.2113174.5-167.70000112.2K526 G527 K528S524-K526 PolarHBondContact O-N 3.38Å; S524-K526 VanDerWaalsContact O-N 3.09Å; S524-K526 PolarHBondContact OG-N 3.43Å; S524-G527 PolarHBondContact O-N 2.9Å; S524-K528 WeakPolarHBondContact CB-O 3.08Å; S524-K528 WeakPolarHBondContact OG-CB 3.48Å; S524-K528 PolarHBondContact OG-N 3.49Å
525S78.8Confident89.4Confident121 Ų12167.8 Ų67.885%0.84635%0.35SS*.THydrogen-bonded Turntrans-63.5-7.8169.457.10000114.6K523K523-S525 PolarHBondContact O-N 3.34Å
526K75.9Confident89.3Confident170 Ų17067.7 Ų67.774%0.73935%0.349SS*.THydrogen-bonded Turntrans-116.326.8178.8-58.2-167.6178.2-169.80112.6S524 K528S524-K526 PolarHBondContact O-N 3.38Å; S524-K526 VanDerWaalsContact O-N 3.09Å; S524-K526 PolarHBondContact OG-N 3.43Å; K526-K528 WeakPolarHBondContact O-CG 3.41Å; K526-K528 PolarHBondContact O-N 3.33Å; K526-K528 VanDerWaalsContact O-N 3.09Å
527G72.4Confident88.9Confident74 Ų7460.6 Ų60.676%0.76332%0.324SS*.SBendtrans64.812.417500000115.7S524S524-G527 PolarHBondContact O-N 2.9Å
528K83.8Confident88Confident144 Ų14460.7 Ų60.763%0.62632%0.324SS*.  trans-81.7146.4-177-55.3-167.1175.8-1690111.1S524 K526 W530S524-K528 WeakPolarHBondContact CB-O 3.08Å; S524-K528 WeakPolarHBondContact OG-CB 3.48Å; S524-K528 PolarHBondContact OG-N 3.49Å; K526-K528 WeakPolarHBondContact O-CG 3.41Å; K526-K528 PolarHBondContact O-N 3.33Å; K526-K528 VanDerWaalsContact O-N 3.09Å; K528-W530 PolarHBondContact O-N 2.68Å
529S89.5Confident86.6Confident44 Ų4461.3 Ų61.331%0.30832%0.322SS..  trans-59.7129.4177.5-53.90000112.5K150 G533K150-S529 WeakPolarHBondContact CE-OG 3.25Å; S529-G533 WeakPolarHBondContact CB-O 3.43Å
530W94.3Very high84.7Confident4 Ų456.1 Ų56.12%0.01532%0.317CS..  trans-144.6166.7-171.675.1-81.5000109.2C154 L156 S157 V159 Q162 R519 N522 K523 K528 L532 G533C154-W530 PolarHBondContact O-NE1 3.33Å; L156-W530 WeakPolarHBondContact O-CZ2 3.38Å; S157-W530 WeakPolarHBondContact O-CH2 3.32Å; V159-W530 HydrophobicContact CG2-CZ3 4.28Å; Q162-W530 VanDerWaalsContact NE2-CE2 3.31Å; Q162-W530 VanDerWaalsContact NE2-CZ2 3.31Å; R519-W530 CarbonylContact O-C 3.57Å; R519-W530 VanDerWaalsContact O-CA 3.23Å; R519-W530 WeakPolarHBondContact O-CA 3.19Å; R519-W530 WeakPolarHBondContact O-CB 3.49Å; N522-W530 VanDerWaalsContact C-CE3 3.48Å; K523-W530 HydrophobicContact CB-CD2 4.36Å; K523-W530 HydrophobicContact CB-CH2 4.13Å; K523-W530 HydrophobicContact CB-CZ2 3.8Å; K523-W530 HydrophobicContact CD-CZ2 4.49Å; K523-W530 HydrophobicContact CG-CZ2 3.91Å; K528-W530 PolarHBondContact O-N 2.68Å; W530-L532 PolarHBondContact O-N 3.22Å; W530-G533 WeakPolarHBondContact O-CA 3.25Å; W530-G533 PolarHBondContact O-N 3.06Å
531G95.5Very high82.3Confident0 Ų059.2 Ų59.20%034%0.343CS..THydrogen-bonded Turntrans54-136.1179.800000112.9R519 Y520 G533 R534 L535R519-G531 PolarHBondContact O-N 3.22Å; Y520-G531 WeakPolarHBondContact O-CA 3.41Å; G531-G533 PolarHBondContact O-N 2.94Å; G531-R534 PolarHBondContact O-N 3.29Å; G531-L535 PolarHBondContact O-N 2.91Å
532L95.8Very high79.8Confident0 Ų056.9 Ų56.90%034%0.342CS..Hα-helixtrans-56.1-35.8174.4-91.265.4000112.7V159 Q162 M163 L166 T340 L427 W530 R534 L535 L536V159-L532 HydrophobicContact CG1-CD1 3.78Å; Q162-L532 HydrophobicContact CB-CB 4.06Å; Q162-L532 HydrophobicContact CB-CD1 4.27Å; Q162-L532 HydrophobicContact CB-CD2 3.96Å; Q162-L532 HydrophobicContact CB-CG 4.32Å; M163-L532 HydrophobicContact CB-CD2 4.38Å; M163-L532 HydrophobicContact CG-CD1 3.68Å; M163-L532 HydrophobicContact CG-CD2 3.63Å; M163-L532 HydrophobicContact CG-CG 4.29Å; M163-L532 HydrophobicContact SD-CD1 4.33Å; L166-L532 HydrophobicContact CD2-CD2 4.06Å; T340-L532 HydrophobicContact CG2-CD1 4.31Å; T340-L532 HydrophobicContact CG2-CD2 3.84Å; T340-L532 HydrophobicContact CG2-CG 4.01Å; L427-L532 HydrophobicContact CD2-CD1 4.1Å; W530-L532 PolarHBondContact O-N 3.22Å; L532-R534 PolarHBondContact O-N 3.17Å; L532-L535 PolarHBondContact O-N 3.44Å; L532-L536 HydrophobicContact CB-CD1 3.92Å; L532-L536 HydrophobicContact CB-CG 4.2Å; L532-L536 HydrophobicContact CD2-CD1 3.93Å; L532-L536 HydrophobicContact CG-CD1 3.89Å; L532-L536 HydrophobicContact CG-CG 4.2Å; L532-L536 WeakPolarHBondContact O-CB 3.21Å; L532-L536 WeakPolarHBondContact O-CG 3.25Å; L532-L536 PolarHBondContact O-N 3.24Å
533G92.4Very high77.3Confident1 Ų158.1 Ų58.11%0.0135%0.345CS..Hα-helixtrans-61.2-9.9177.500000114.5S529 W530 G531S529-G533 WeakPolarHBondContact CB-O 3.43Å; W530-G533 WeakPolarHBondContact O-CA 3.25Å; W530-G533 PolarHBondContact O-N 3.06Å; G531-G533 PolarHBondContact O-N 2.94Å
534R92.1Very high74.5Confident90 Ų9061.9 Ų61.934%0.3436%0.364SS..Hα-helixtrans-118.1-36.3169.1-176.8168.8-178.9120.310.7113.6F514 G531 L532 L536 A537F514-R534 HydrophobicContact CE1-CB 4.17Å; F514-R534 HydrophobicContact CE1-CG 4.35Å; F514-R534 HydrophobicContact CE2-CB 4.41Å; F514-R534 HydrophobicContact CE2-CG 4.03Å; F514-R534 HydrophobicContact CZ-CB 3.73Å; F514-R534 HydrophobicContact CZ-CG 3.82Å; G531-R534 PolarHBondContact O-N 3.29Å; L532-R534 PolarHBondContact O-N 3.17Å; R534-L536 VanDerWaalsContact C-N 3.33Å; R534-L536 PolarHBondContact O-N 3.41Å; R534-A537 WeakPolarHBondContact O-CB 3.33Å; R534-A537 PolarHBondContact O-N 3.08Å
535L94.2Very high71.8Confident9 Ų965.2 Ų65.25%0.04739%0.393CS..Hα-helixtrans-60.3-41.4177.4175.365.5000112.3L427 F431 A511 F514 Y520 G531 L532 A537L427-L535 HydrophobicContact CD2-CD2 3.91Å; L427-L535 HydrophobicContact CG-CD2 4.47Å; F431-L535 HydrophobicContact CE2-CD1 4.07Å; F431-L535 HydrophobicContact CE2-CD2 3.85Å; F431-L535 HydrophobicContact CZ-CD1 4.25Å; F431-L535 HydrophobicContact CZ-CD2 4.19Å; A511-L535 HydrophobicContact CB-CD1 3.8Å; F514-L535 HydrophobicContact CD1-CB 4.12Å; F514-L535 HydrophobicContact CD1-CD1 4.3Å; F514-L535 HydrophobicContact CE1-CB 3.98Å; Y520-L535 HydrophobicContact CE2-CD2 4.36Å; G531-L535 PolarHBondContact O-N 2.91Å; L532-L535 PolarHBondContact O-N 3.44Å; L535-A537 VanDerWaalsContact C-N 3.28Å; L535-A537 PolarHBondContact O-N 3.41Å
536L92.8Very high69.7Low0 Ų067 Ų670%039%0.387CS..THydrogen-bonded Turntrans-86.15.6-176.4-53.5-179.4000113.5F146 L166 T340 Y343 W344 Q347 L532 R534F146-L536 HydrophobicContact CD2-CB 4.21Å; F146-L536 HydrophobicContact CE2-CB 3.7Å; F146-L536 HydrophobicContact CZ-CB 4.29Å; L166-L536 HydrophobicContact CD2-CD1 3.94Å; T340-L536 HydrophobicContact CG2-CD2 4.26Å; Y343-L536 HydrophobicContact CD1-CB 4.21Å; Y343-L536 HydrophobicContact CD1-CD1 3.87Å; Y343-L536 HydrophobicContact CD1-CD2 4.23Å; Y343-L536 HydrophobicContact CD1-CG 4.32Å; Y343-L536 HydrophobicContact CE1-CB 4.32Å; Y343-L536 HydrophobicContact CE1-CD1 4.36Å; W344-L536 HydrophobicContact CB-CD2 3.65Å; Q347-L536 WeakPolarHBondContact CG-O 3.26Å; L532-L536 HydrophobicContact CB-CD1 3.92Å; L532-L536 HydrophobicContact CB-CG 4.2Å; L532-L536 HydrophobicContact CD2-CD1 3.93Å; L532-L536 HydrophobicContact CG-CD1 3.89Å; L532-L536 HydrophobicContact CG-CG 4.2Å; L532-L536 WeakPolarHBondContact O-CB 3.21Å; L532-L536 WeakPolarHBondContact O-CG 3.25Å; L532-L536 PolarHBondContact O-N 3.24Å; R534-L536 VanDerWaalsContact C-N 3.33Å; R534-L536 PolarHBondContact O-N 3.41Å
537A86.5Confident67.8Low8 Ų864.4 Ų64.47%0.06639%0.388CS..PPolyproline II helixtrans-68.7142.1177.700000111.3F146 K348 R534 L535F146-A537 HydrophobicContact CE1-CB 4.13Å; F146-A537 HydrophobicContact CZ-CB 4.36Å; K348-A537 PolarHBondContact NZ-O 3.25Å; R534-A537 WeakPolarHBondContact O-CB 3.33Å; R534-A537 PolarHBondContact O-N 3.08Å; L535-A537 VanDerWaalsContact C-N 3.28Å; L535-A537 PolarHBondContact O-N 3.41Å
538P75Confident66.8Low31 Ų3167.4 Ų67.420%0.20138%0.382CS..PPolyproline II helixtrans-64160.3177.830.3-38.7000111.2A541P538-A541 HydrophobicContact CG-CB 3.9Å; P538-A541 PolarHBondContact O-N 3.1Å
539L61.2Low65.7Low103 Ų10368.8 Ų68.854%0.53938%0.384SS..THydrogen-bonded Turntrans-56.4141.3168-70112.8000110.1K348 A541K348-L539 HydrophobicContact CD-CD1 4.14Å; K348-L539 HydrophobicContact CD-CG 4.48Å; L539-A541 PolarHBondContact O-N 3.47Å
540G51.6Low65.6Low48 Ų4868.1 Ų68.150%0.49538%0.377SS..THydrogen-bonded Turntrans91.2-34.3-174.200000115.8A542G540-A542 PolarHBondContact O-N 3.26Å
541A42.5Very low65.2Low67 Ų6768.8 Ų68.855%0.55438%0.381SS*.THydrogen-bonded Turntrans-72.7-0.6-171.900000116.1P538 L539P538-A541 HydrophobicContact CG-CB 3.9Å; P538-A541 PolarHBondContact O-N 3.1Å; L539-A541 PolarHBondContact O-N 3.47Å
542A39.3Very low64.9Low57 Ų5768.9 Ų68.947%0.47138%0.382SS..THydrogen-bonded Turntrans-140.16-177.100000114.5G540G540-A542 PolarHBondContact O-N 3.26Å
543Q35.1Very low64.4Low122 Ų12272 Ų7257%0.5740%0.401SS*.  trans-105.6117.4175-77.7155.3-39.300108.6
544Q31.7Very low64Low173 Ų17372.5 Ų72.581%0.80840%0.403SS*.  trans-60.8138.9142.5-68.1175.5-76.800105.8H546Q544-H546 VanDerWaalsContact C-N 3.27Å; Q544-H546 PolarHBondContact O-N 3.31Å
545A27.3Very low63.4Low103 Ų10371.2 Ų71.285%0.85141%0.406SS*.  trans-66.686-176.200000111
546H33.9Very low62.5Low158 Ų15873 Ų7373%0.73141%0.414SS*.PPolyproline II helixtrans-66.6132.7151.8-65.5-65.9000106.6Q544 E548Q544-H546 VanDerWaalsContact C-N 3.27Å; Q544-H546 PolarHBondContact O-N 3.31Å; H546-E548 PolarHBondContact O-N 2.7Å
547P37.4Very low61.7Low116 Ų11677.2 Ų77.275%0.75343%0.43SS*.PPolyproline II helixtrans-55.714217823.9-33.6000109.5R549P547-R549 PolarHBondContact O-N 3.32Å; P547-R549 VanDerWaalsContact O-N 3.11Å
548E50Low60.6Low137 Ų13780.5 Ų80.564%0.6445%0.449SS*.PPolyproline II helixtrans-55.6120-176.7-174.5158.5-144.900109.1H546 L550H546-E548 PolarHBondContact O-N 2.7Å; E548-L550 VanDerWaalsContact C-N 3.32Å; E548-L550 PolarHBondContact O-N 3.43Å
549R62.7Low60Low173 Ų17383.5 Ų83.565%0.65348%0.477SS*.  trans-85.682.4-166.3-154.1-160.7164.2167.5-7.2109.6P547 V551 N740P547-R549 PolarHBondContact O-N 3.32Å; P547-R549 VanDerWaalsContact O-N 3.11Å; R549-V551 VanDerWaalsContact C-N 3.29Å; R549-V551 HydrophobicContact CG-CG2 3.81Å; R549-V551 PolarHBondContact O-N 3.39Å; R549-N740 PolarHBondContact NH2-OD1 3.29Å; R549-N740 VanDerWaalsContact NH2-OD1 3.07Å
550L85.8Confident60Low31 Ų3180 Ų8016%0.16246%0.462CS..  trans-5681.8178.2-62.2159.2000111.5E548 N740 V741 F751 F755E548-L550 VanDerWaalsContact C-N 3.32Å; E548-L550 PolarHBondContact O-N 3.43Å; L550-N740 WeakPolarHBondContact O-CA 3.45Å; L550-V741 WeakPolarHBondContact CB-O 3.21Å; L550-V741 WeakPolarHBondContact CD1-O 3.5Å; L550-V741 PolarHBondContact O-N 2.96Å; L550-F751 HydrophobicContact CD1-CE1 3.56Å; L550-F751 HydrophobicContact CD1-CZ 3.99Å; L550-F751 HydrophobicContact CD2-CE1 3.77Å; L550-F751 HydrophobicContact CD2-CZ 4.39Å; L550-F751 HydrophobicContact CG-CE1 4.24Å; L550-F755 HydrophobicContact CB-CD2 4.29Å; L550-F755 HydrophobicContact CB-CE2 3.94Å; L550-F755 HydrophobicContact CB-CZ 4.15Å; L550-F755 HydrophobicContact CD2-CB 4.41Å; L550-F755 HydrophobicContact CD2-CD1 3.57Å; L550-F755 HydrophobicContact CD2-CD2 4.01Å; L550-F755 HydrophobicContact CD2-CE1 3.82Å; L550-F755 HydrophobicContact CD2-CE2 4.23Å; L550-F755 HydrophobicContact CD2-CG 3.69Å; L550-F755 HydrophobicContact CD2-CZ 4.17Å
551V87.3Confident60.9Low17 Ų1778.2 Ų78.210%0.10344%0.441CS..EExtended strand (participates in β ladder)trans-138.5114.5-174.2-177.50000111.1R549 L738 L739 N740R549-V551 VanDerWaalsContact C-N 3.29Å; R549-V551 HydrophobicContact CG-CG2 3.81Å; R549-V551 PolarHBondContact O-N 3.39Å; V551-L738 HydrophobicContact CG1-CB 3.77Å; V551-L738 HydrophobicContact CG1-CD1 4.4Å; V551-L738 HydrophobicContact CG1-CD2 3.95Å; V551-L738 HydrophobicContact CG1-CG 4.23Å; V551-L739 WeakPolarHBondContact CA-O 3.42Å; V551-N740 HydrophobicContact CG2-CB 4.24Å; V551-N740 WeakPolarHBondContact CG2-OD1 3.32Å
552I88Confident62.5Low3 Ų377.2 Ų77.22%0.01543%0.429CS..EExtended strand (participates in β ladder)trans-82.1132.6169.7-47.2175.3000107.6L739 V741 F755 L758 E759 V762 P763I552-L739 HydrophobicContact CB-CB 4.17Å; I552-L739 HydrophobicContact CB-CD1 4.4Å; I552-L739 PolarHBondContact N-O 2.82Å; I552-L739 PolarHBondContact O-N 3.25Å; I552-V741 HydrophobicContact CD1-CG2 4.02Å; I552-V741 HydrophobicContact CG1-CG2 4.13Å; I552-F755 HydrophobicContact CG1-CE2 3.91Å; I552-F755 HydrophobicContact CG1-CZ 4.4Å; I552-L758 HydrophobicContact CD1-CB 3.64Å; I552-E759 HydrophobicContact CG1-CB 4.5Å; I552-V762 HydrophobicContact CD1-CG2 4.49Å; I552-P763 HydrophobicContact CG2-CG 3.58Å
553T84.9Confident64Low66 Ų6681.6 Ų81.641%0.40544%0.44SS..EExtended strand (participates in β ladder)trans-113.9122.6-178-61.70000110.4R736 L738T553-R736 HydrophobicContact CG2-CB 4.35Å; T553-R736 HydrophobicContact CG2-CG 4.42Å; T553-L738 HydrophobicContact CG2-CD2 3.94Å; T553-L738 WeakPolarHBondContact OG1-CD2 3.38Å
554I85.6Confident65.9Low10 Ų1078.4 Ų78.45%0.05144%0.44CS..EExtended strand (participates in β ladder)trans-110.4110.1174.6-56.2176.8000107.5W580 V584 V588 R736 L737 L739 P763 V766I554-W580 WeakPolarHBondContact O-CH2 2.99Å; I554-V584 HydrophobicContact CB-CG1 4.36Å; I554-V584 HydrophobicContact CD1-CG1 3.81Å; I554-V584 HydrophobicContact CG2-CG1 4.01Å; I554-V588 HydrophobicContact CD1-CG2 3.8Å; I554-R736 CarbonylContact O-C 3.1Å; I554-R736 VanDerWaalsContact O-CA 3.29Å; I554-R736 WeakPolarHBondContact O-CA 3.47Å; I554-R736 WeakPolarHBondContact O-CB 3.27Å; I554-L737 HydrophobicContact CB-CB 4.47Å; I554-L737 PolarHBondContact N-O 3.3Å; I554-L737 PolarHBondContact O-N 2.99Å; I554-L739 HydrophobicContact CD1-CD1 4.04Å; I554-P763 HydrophobicContact CG1-CB 4.39Å; I554-P763 HydrophobicContact CG1-CG 4.42Å; I554-V766 HydrophobicContact CD1-CB 4.39Å; I554-V766 HydrophobicContact CD1-CG1 4.17Å; I554-V766 HydrophobicContact CD1-CG2 4.23Å; I554-V766 HydrophobicContact CG2-CG1 4.43Å
555P79.4Confident67.8Low64 Ų6471.1 Ų71.142%0.41641%0.406SS..EExtended strand (participates in β ladder)trans-79.3150.4-179.732.3-34.3000112.1R557P555-R557 HydrophobicContact CG-CG 4.32Å; P555-R557 PolarHBondContact O-N 3.34Å
556F75.8Confident69.9Low45 Ų4570.5 Ų70.520%0.19738%0.382CS..  trans-70.2123164.8-179.4-118.9000109.9T558 L561 L569 F576 W580 T735F556-T558 VanDerWaalsContact CE1-OG1 3.24Å; F556-T558 WeakPolarHBondContact CE1-OG1 3.31Å; F556-T558 HydrophobicContact CZ-CG2 4.37Å; F556-L561 HydrophobicContact CE2-CD1 3.88Å; F556-L569 HydrophobicContact CE2-CD1 4.22Å; F556-F576 HydrophobicContact CD1-CE2 4.39Å; F556-F576 AromaticContact CE1-CE2 3.99Å; F556-F576 HydrophobicContact CE1-CE2 3.99Å; F556-F576 HydrophobicContact CE2-CE2 4.41Å; F556-F576 HydrophobicContact CZ-CD2 4.33Å; F556-F576 HydrophobicContact CZ-CE2 4Å; F556-W580 HydrophobicContact CB-CH2 4.27Å; F556-W580 HydrophobicContact CB-CZ2 4.03Å; F556-W580 AromaticContact CD2-CD1 3.7Å; F556-W580 AromaticContact CD2-CD2 3.93Å; F556-W580 HydrophobicContact CD2-CD2 3.93Å; F556-W580 AromaticContact CD2-CE2 3.72Å; F556-W580 AromaticContact CD2-CG 3.91Å; F556-W580 HydrophobicContact CD2-CG 3.91Å; F556-W580 HydrophobicContact CD2-CZ2 4.36Å; F556-W580 AromaticContact CD2-NE1 3.59Å; F556-W580 AromaticContact CE2-CD1 3.94Å; F556-W580 HydrophobicContact CE2-CG 4.24Å; F556-T735 HydrophobicContact CB-CG2 4.23Å; F556-T735 WeakPolarHBondContact CB-O 3.43Å; F556-T735 PolarHBondContact N-O 2.79Å
557R74.9Confident71.6Confident89 Ų8964.6 Ų64.634%0.33636%0.364SS..  trans-129.988.9-179.7-78.1175.1155.1179.1-10.5110D438 P555 A559 A560 E767D438-R557 IonicContact OD1-NH2 4Å; P555-R557 HydrophobicContact CG-CG 4.32Å; P555-R557 PolarHBondContact O-N 3.34Å; R557-A559 PolarHBondContact O-N 2.94Å; R557-A559 VanDerWaalsContact O-N 3.11Å; R557-A560 HydrophobicContact CB-CB 4.09Å; R557-A560 PolarHBondContact O-N 2.86Å; R557-A560 VanDerWaalsContact O-N 3.09Å; R557-E767 WeakPolarHBondContact CD-OE1 3.12Å; R557-E767 IonicContact CZ-OE1 3.44Å; R557-E767 IonicContact NE-OE1 3.33Å; R557-E767 IonicContact NH1-OE1 2.72Å; R557-E767 PolarHBondContact NH1-OE1 3.02Å; R557-E767 IonicContact NH1-OE2 2.71Å; R557-E767 PolarHBondContact NH1-OE2 3.43Å
558T63Low73.3Confident77 Ų7763.3 Ų63.347%0.47235%0.348SS..G310 helixtrans-55.5-33.2-176.7-36.40000113.4F556 R566F556-T558 VanDerWaalsContact CE1-OG1 3.24Å; F556-T558 WeakPolarHBondContact CE1-OG1 3.31Å; F556-T558 HydrophobicContact CZ-CG2 4.37Å; T558-R566 VanDerWaalsContact O-CD 3.24Å; T558-R566 WeakPolarHBondContact O-CD 3.47Å
559A63.1Low74.4Confident95 Ų9557.3 Ų57.379%0.78532%0.32SS*.G310 helixtrans-67.6-32.3179.900000114R557 L561R557-A559 PolarHBondContact O-N 2.94Å; R557-A559 VanDerWaalsContact O-N 3.11Å; A559-L561 VanDerWaalsContact C-N 3.34Å
560A60.7Low74.6Confident29 Ų2957 Ų5724%0.2433%0.326CS..G310 helixtrans-85.6-2.5-176.300000113.7R557 E767R557-A560 HydrophobicContact CB-CB 4.09Å; R557-A560 PolarHBondContact O-N 2.86Å; R557-A560 VanDerWaalsContact O-N 3.09Å; A560-E767 HydrophobicContact CB-CG 4.44Å
561L70.6Confident73.9Confident10 Ų1060.7 Ų60.75%0.05235%0.354CS..SBendtrans-92.4138-179.2-58.9179.6000111F556 A559 L565 R566 L569 L770F556-L561 HydrophobicContact CE2-CD1 3.88Å; A559-L561 VanDerWaalsContact C-N 3.34Å; L561-L565 HydrophobicContact CB-CD2 4.46Å; L561-L565 HydrophobicContact CD2-CD2 4.07Å; L561-R566 HydrophobicContact CB-CG 3.89Å; L561-R566 WeakPolarHBondContact O-CD 3.33Å; L561-R566 WeakPolarHBondContact O-CG 3.29Å; L561-R566 PolarHBondContact O-NH1 3.27Å; L561-L569 HydrophobicContact CD1-CD1 3.57Å; L561-L770 HydrophobicContact CD2-CB 4.27Å; L561-L770 HydrophobicContact CD2-CD1 4.37Å
562P76.2Confident73Confident47 Ų4761.6 Ų61.631%0.30536%0.363SS..  trans-56.9150.1173.1-27.636.3000112.9G564 L565 R566 L770 E771P562-G564 VanDerWaalsContact C-N 3.35Å; P562-G564 PolarHBondContact O-N 3.49Å; P562-L565 WeakPolarHBondContact O-CA 3.46Å; P562-L565 WeakPolarHBondContact O-CB 3.27Å; P562-L565 PolarHBondContact O-N 3.32Å; P562-R566 PolarHBondContact O-N 3.4Å; P562-L770 VanDerWaalsContact CD-O 3.23Å; P562-L770 WeakPolarHBondContact CD-O 3.45Å; P562-L770 VanDerWaalsContact CG-O 3.25Å; P562-L770 WeakPolarHBondContact CG-O 3.44Å; P562-E771 VanDerWaalsContact CG-O 3.27Å; P562-E771 WeakPolarHBondContact CG-O 3.46Å
563E71.6Confident71.9Confident149 Ų14963.5 Ų63.570%0.69638%0.384SS*.Hα-helixtrans-58.4-40.6-170.5-172.8146.7-11400114.2L565 R566 G567E563-L565 PolarHBondContact O-N 2.96Å; E563-R566 WeakPolarHBondContact O-CB 3.27Å; E563-R566 PolarHBondContact O-N 2.93Å; E563-R566 IonicContact OE1-NH2 3.57Å; E563-R566 PolarHBondContact OE1-NH2 3.09Å; E563-G567 PolarHBondContact O-N 3.42Å
564G74Confident70.6Confident55 Ų5568.3 Ų68.357%0.56741%0.407SS*.Hα-helixtrans-60.6-41.9173.600000113P562 G567 E568P562-G564 VanDerWaalsContact C-N 3.35Å; P562-G564 PolarHBondContact O-N 3.49Å; G564-G567 WeakPolarHBondContact O-CA 3.15Å; G564-G567 PolarHBondContact O-N 2.82Å; G564-G567 VanDerWaalsContact O-N 3.17Å; G564-E568 PolarHBondContact O-N 3.37Å
565L71.3Confident69.7Low19 Ų1969.7 Ų69.710%0.09942%0.424CS..Hα-helixtrans-70.8-31.8177.4-175.959.8000111.9L561 P562 E563 G567 L569 K583 L770L561-L565 HydrophobicContact CB-CD2 4.46Å; L561-L565 HydrophobicContact CD2-CD2 4.07Å; P562-L565 WeakPolarHBondContact O-CA 3.46Å; P562-L565 WeakPolarHBondContact O-CB 3.27Å; P562-L565 PolarHBondContact O-N 3.32Å; E563-L565 PolarHBondContact O-N 2.96Å; L565-G567 VanDerWaalsContact C-N 3.34Å; L565-L569 HydrophobicContact CD1-CD1 4.4Å; L565-L569 HydrophobicContact CD1-CG 4.39Å; L565-L569 HydrophobicContact CG-CD1 4.21Å; L565-L569 WeakPolarHBondContact O-CB 3.35Å; L565-L569 VanDerWaalsContact O-CG 3.25Å; L565-L569 WeakPolarHBondContact O-CG 3.31Å; L565-L569 PolarHBondContact O-N 3.4Å; L565-K583 HydrophobicContact CD1-CD 3.96Å; L565-K583 HydrophobicContact CD1-CG 4.31Å; L565-L770 HydrophobicContact CD2-CD2 4.37Å
566R72.2Confident69.5Low91 Ų9167.8 Ų67.834%0.34341%0.409SS..Hα-helixtrans-63.5-41.2168.6-62.3-171.6-59.4-127.511.7111T558 L561 P562 E563 L569 H570T558-R566 VanDerWaalsContact O-CD 3.24Å; T558-R566 WeakPolarHBondContact O-CD 3.47Å; L561-R566 HydrophobicContact CB-CG 3.89Å; L561-R566 WeakPolarHBondContact O-CD 3.33Å; L561-R566 WeakPolarHBondContact O-CG 3.29Å; L561-R566 PolarHBondContact O-NH1 3.27Å; P562-R566 PolarHBondContact O-N 3.4Å; E563-R566 WeakPolarHBondContact O-CB 3.27Å; E563-R566 PolarHBondContact O-N 2.93Å; E563-R566 IonicContact OE1-NH2 3.57Å; E563-R566 PolarHBondContact OE1-NH2 3.09Å; R566-L569 PolarHBondContact O-N 2.94Å; R566-H570 VanDerWaalsContact O-CB 3.31Å; R566-H570 WeakPolarHBondContact O-CB 3.45Å; R566-H570 PolarHBondContact O-N 3.34Å
567G69Low69.1Low34 Ų3469.4 Ų69.435%0.35141%0.414SS..Hα-helixtrans-59.1-53.9172.800000112.7E563 G564 L565 L569 H570 S571E563-G567 PolarHBondContact O-N 3.42Å; G564-G567 WeakPolarHBondContact O-CA 3.15Å; G564-G567 PolarHBondContact O-N 2.82Å; G564-G567 VanDerWaalsContact O-N 3.17Å; L565-G567 VanDerWaalsContact C-N 3.34Å; G567-L569 VanDerWaalsContact C-N 3.32Å; G567-L569 PolarHBondContact O-N 2.88Å; G567-H570 PolarHBondContact O-N 2.93Å; G567-S571 WeakPolarHBondContact O-CB 3.45Å; G567-S571 PolarHBondContact O-N 3.1Å; G567-S571 PolarHBondContact O-OG 3.07Å; G567-S571 VanDerWaalsContact O-OG 3.09Å
568E73.1Confident69.2Low88 Ų8870.5 Ų70.541%0.41143%0.426SS..Hα-helixtrans-51.5-49175.4-74.4-178.8-148.800112.1G564 S571 A572 L579 K583G564-E568 PolarHBondContact O-N 3.37Å; E568-S571 PolarHBondContact O-N 2.97Å; E568-A572 WeakPolarHBondContact O-CB 3.08Å; E568-A572 PolarHBondContact O-N 3.28Å; E568-A572 VanDerWaalsContact O-N 3.08Å; E568-L579 HydrophobicContact CB-CD2 4.47Å; E568-K583 IonicContact OE1-NZ 3.07Å; E568-K583 PolarHBondContact OE1-NZ 3.03Å; E568-K583 WeakPolarHBondContact OE2-CE 3.36Å; E568-K583 IonicContact OE2-NZ 3.41Å; E568-K583 PolarHBondContact OE2-NZ 3.04Å
569L72.5Confident69.8Low11 Ų1169.2 Ų69.26%0.05842%0.416CS..Hα-helixtrans-70.9-33.7-177.2-69.3172.3000113F556 L561 L565 R566 G567 A572 F576 L579 W580F556-L569 HydrophobicContact CE2-CD1 4.22Å; L561-L569 HydrophobicContact CD1-CD1 3.57Å; L565-L569 HydrophobicContact CD1-CD1 4.4Å; L565-L569 HydrophobicContact CD1-CG 4.39Å; L565-L569 HydrophobicContact CG-CD1 4.21Å; L565-L569 WeakPolarHBondContact O-CB 3.35Å; L565-L569 VanDerWaalsContact O-CG 3.25Å; L565-L569 WeakPolarHBondContact O-CG 3.31Å; L565-L569 PolarHBondContact O-N 3.4Å; R566-L569 PolarHBondContact O-N 2.94Å; G567-L569 VanDerWaalsContact C-N 3.32Å; G567-L569 PolarHBondContact O-N 2.88Å; L569-A572 PolarHBondContact O-N 3.28Å; L569-F576 HydrophobicContact CD2-CB 4.42Å; L569-F576 VanDerWaalsContact O-CB 3.24Å; L569-F576 WeakPolarHBondContact O-CB 3.27Å; L569-L579 HydrophobicContact CD2-CB 4.06Å; L569-L579 HydrophobicContact CD2-CD2 4.04Å; L569-L579 HydrophobicContact CD2-CG 3.88Å; L569-W580 HydrophobicContact CD1-CB 4.36Å; L569-W580 HydrophobicContact CD2-CB 3.76Å
570H67.2Low70.7Confident168 Ų16864.9 Ų64.978%0.77838%0.379SS*.Hα-helixtrans-69.3-42.5174.2-168.469.6000111.3R566 G567 A572 G573R566-H570 VanDerWaalsContact O-CB 3.31Å; R566-H570 WeakPolarHBondContact O-CB 3.45Å; R566-H570 PolarHBondContact O-N 3.34Å; G567-H570 PolarHBondContact O-N 2.93Å; H570-A572 PolarHBondContact O-N 3.33Å; H570-G573 PolarHBondContact O-N 2.91Å
571S70.7Confident71.6Confident108 Ų10863.5 Ų63.576%0.75537%0.368SS*.Hα-helixtrans-65.7-22.4175.6-60.80000113.9G567 E568 G573G567-S571 WeakPolarHBondContact O-CB 3.45Å; G567-S571 PolarHBondContact O-N 3.1Å; G567-S571 PolarHBondContact O-OG 3.07Å; G567-S571 VanDerWaalsContact O-OG 3.09Å; E568-S571 PolarHBondContact O-N 2.97Å; S571-G573 VanDerWaalsContact C-N 3.29Å; S571-G573 PolarHBondContact O-N 3.41Å
572A68.6Low72.3Confident35 Ų3571.6 Ų71.629%0.28940%0.397SS..THydrogen-bonded Turntrans-75.4-9.8179.100000114.7E568 L569 H570 D574 G575 F576 L579E568-A572 WeakPolarHBondContact O-CB 3.08Å; E568-A572 PolarHBondContact O-N 3.28Å; E568-A572 VanDerWaalsContact O-N 3.08Å; L569-A572 PolarHBondContact O-N 3.28Å; H570-A572 PolarHBondContact O-N 3.33Å; A572-D574 PolarHBondContact O-N 2.87Å; A572-G575 WeakPolarHBondContact O-CA 3.48Å; A572-G575 PolarHBondContact O-N 3.06Å; A572-F576 HydrophobicContact CB-CB 4.2Å; A572-L579 HydrophobicContact CB-CD2 3.85Å
573G65.8Low72.7Confident44 Ų4471.2 Ų71.245%0.45439%0.391SS..G310 helixtrans53.5-132.9178.200000112.8H570 S571 G575 F576H570-G573 PolarHBondContact O-N 2.91Å; S571-G573 VanDerWaalsContact C-N 3.29Å; S571-G573 PolarHBondContact O-N 3.41Å; G573-G575 PolarHBondContact O-N 2.95Å; G573-G575 VanDerWaalsContact O-N 3.1Å; G573-F576 WeakPolarHBondContact O-CB 3.43Å; G573-F576 WeakPolarHBondContact O-CD1 3.32Å; G573-F576 PolarHBondContact O-N 2.88Å; G573-F576 VanDerWaalsContact O-N 3.08Å
574D57.4Low73.4Confident166 Ų16664.1 Ų64.189%0.88836%0.358SS*.G310 helixtrans-58.3-22.7176.5-70.8-49.6000113.9A572 F576A572-D574 PolarHBondContact O-N 2.87Å; D574-F576 VanDerWaalsContact C-N 3.28Å; D574-F576 PolarHBondContact O-N 3.14Å
575G67.3Low74.1Confident40 Ų4061.9 Ų61.941%0.41233%0.334SS..G310 helixtrans-74-10.4177.200000114.9A572 G573 R577 L578 L579A572-G575 WeakPolarHBondContact O-CA 3.48Å; A572-G575 PolarHBondContact O-N 3.06Å; G573-G575 PolarHBondContact O-N 2.95Å; G573-G575 VanDerWaalsContact O-N 3.1Å; G575-R577 PolarHBondContact O-N 3.19Å; G575-R577 VanDerWaalsContact O-N 3.09Å; G575-L578 PolarHBondContact O-N 3.06Å; G575-L578 VanDerWaalsContact O-N 3.11Å; G575-L579 PolarHBondContact O-N 3.27Å
576F74.8Confident75Confident24 Ų2462.9 Ų62.911%0.10534%0.342CS..Hα-helixtrans-56.7-33.4-169.889.6-83.4000114F556 L569 A572 G573 D574 L578 L579 W580 T732F556-F576 HydrophobicContact CD1-CE2 4.39Å; F556-F576 AromaticContact CE1-CE2 3.99Å; F556-F576 HydrophobicContact CE1-CE2 3.99Å; F556-F576 HydrophobicContact CE2-CE2 4.41Å; F556-F576 HydrophobicContact CZ-CD2 4.33Å; F556-F576 HydrophobicContact CZ-CE2 4Å; L569-F576 HydrophobicContact CD2-CB 4.42Å; L569-F576 VanDerWaalsContact O-CB 3.24Å; L569-F576 WeakPolarHBondContact O-CB 3.27Å; A572-F576 HydrophobicContact CB-CB 4.2Å; G573-F576 WeakPolarHBondContact O-CB 3.43Å; G573-F576 WeakPolarHBondContact O-CD1 3.32Å; G573-F576 PolarHBondContact O-N 2.88Å; G573-F576 VanDerWaalsContact O-N 3.08Å; D574-F576 VanDerWaalsContact C-N 3.28Å; D574-F576 PolarHBondContact O-N 3.14Å; F576-L578 PolarHBondContact O-N 2.89Å; F576-L579 PolarHBondContact O-N 2.92Å; F576-W580 VanDerWaalsContact O-CB 3.27Å; F576-W580 WeakPolarHBondContact O-CB 3.48Å; F576-W580 PolarHBondContact O-N 3.02Å; F576-T732 HydrophobicContact CE1-CG2 3.88Å; F576-T732 HydrophobicContact CZ-CG2 4.25Å
577R67.4Low75.8Confident79 Ų7958.5 Ų58.530%0.29833%0.326SS..Hα-helixtrans-65.6-40.5-178.6-57.8-172.2-156.5153.723.3111.8G575 S581 G730 T735G575-R577 PolarHBondContact O-N 3.19Å; G575-R577 VanDerWaalsContact O-N 3.09Å; R577-S581 VanDerWaalsContact O-CB 3.27Å; R577-S581 WeakPolarHBondContact O-CB 3.44Å; R577-S581 PolarHBondContact O-N 2.91Å; R577-S581 PolarHBondContact O-OG 3.28Å; R577-G730 PolarHBondContact NH1-O 3.26Å; R577-T735 HydrophobicContact CB-CG2 4.45Å; R577-T735 VanDerWaalsContact CD-OG1 3.3Å; R577-T735 WeakPolarHBondContact CD-OG1 3.3Å; R577-T735 HydrophobicContact CG-CG2 4.18Å
578L75.8Confident76.8Confident112 Ų11257 Ų5759%0.58631%0.309SS*.Hα-helixtrans-69.7-41.2178.4-17762.7000110.8G575 F576 R582 F664G575-L578 PolarHBondContact O-N 3.06Å; G575-L578 VanDerWaalsContact O-N 3.11Å; F576-L578 PolarHBondContact O-N 2.89Å; L578-R582 VanDerWaalsContact O-CB 3.31Å; L578-R582 WeakPolarHBondContact O-CB 3.3Å; L578-R582 PolarHBondContact O-N 2.6Å; L578-F664 HydrophobicContact CD1-CZ 4.1Å
579L76.2Confident77.7Confident49 Ų4956.1 Ų56.126%0.25731%0.305SS..Hα-helixtrans-63.9-46.8176-179.757.2000111.6E568 L569 A572 G575 F576 R582 K583E568-L579 HydrophobicContact CB-CD2 4.47Å; L569-L579 HydrophobicContact CD2-CB 4.06Å; L569-L579 HydrophobicContact CD2-CD2 4.04Å; L569-L579 HydrophobicContact CD2-CG 3.88Å; A572-L579 HydrophobicContact CB-CD2 3.85Å; G575-L579 PolarHBondContact O-N 3.27Å; F576-L579 PolarHBondContact O-N 2.92Å; L579-R582 PolarHBondContact O-N 2.99Å; L579-K583 WeakPolarHBondContact O-CG 3.22Å; L579-K583 PolarHBondContact O-N 3.36Å
580W82.2Confident78.5Confident5 Ų557.1 Ų57.12%0.01931%0.312CS..Hα-helixtrans-61.6-52.2175.717573.9000111.4I554 F556 L569 F576 R582 K583 V584 T735 L737I554-W580 WeakPolarHBondContact O-CH2 2.99Å; F556-W580 HydrophobicContact CB-CH2 4.27Å; F556-W580 HydrophobicContact CB-CZ2 4.03Å; F556-W580 AromaticContact CD2-CD1 3.7Å; F556-W580 AromaticContact CD2-CD2 3.93Å; F556-W580 HydrophobicContact CD2-CD2 3.93Å; F556-W580 AromaticContact CD2-CE2 3.72Å; F556-W580 AromaticContact CD2-CG 3.91Å; F556-W580 HydrophobicContact CD2-CG 3.91Å; F556-W580 HydrophobicContact CD2-CZ2 4.36Å; F556-W580 AromaticContact CD2-NE1 3.59Å; F556-W580 AromaticContact CE2-CD1 3.94Å; F556-W580 HydrophobicContact CE2-CG 4.24Å; L569-W580 HydrophobicContact CD1-CB 4.36Å; L569-W580 HydrophobicContact CD2-CB 3.76Å; F576-W580 VanDerWaalsContact O-CB 3.27Å; F576-W580 WeakPolarHBondContact O-CB 3.48Å; F576-W580 PolarHBondContact O-N 3.02Å; W580-R582 VanDerWaalsContact C-N 3.26Å; W580-R582 PolarHBondContact O-N 3.2Å; W580-K583 PolarHBondContact O-N 2.83Å; W580-V584 HydrophobicContact CD2-CG2 3.88Å; W580-V584 HydrophobicContact CE3-CG2 4.44Å; W580-V584 HydrophobicContact CG-CG2 4.31Å; W580-V584 HydrophobicContact CH2-CG2 4.19Å; W580-V584 HydrophobicContact CZ2-CG2 3.59Å; W580-V584 WeakPolarHBondContact O-CG2 3.15Å; W580-V584 PolarHBondContact O-N 2.86Å; W580-T735 HydrophobicContact CE3-CG2 3.65Å; W580-T735 HydrophobicContact CH2-CG2 4.5Å; W580-T735 HydrophobicContact CZ3-CG2 3.62Å; W580-L737 HydrophobicContact CH2-CB 4.16Å; W580-L737 HydrophobicContact CZ3-CB 4.19Å
581S80.6Confident79.7Confident0 Ų049.1 Ų49.10%028%0.275CS..Hα-helixtrans-60.4-35.1179.2-70.90000112.3R577 V584 C585 T728R577-S581 VanDerWaalsContact O-CB 3.27Å; R577-S581 WeakPolarHBondContact O-CB 3.44Å; R577-S581 PolarHBondContact O-N 2.91Å; R577-S581 PolarHBondContact O-OG 3.28Å; S581-V584 PolarHBondContact O-N 3.32Å; S581-C585 WeakPolarHBondContact O-CB 3.4Å; S581-C585 PolarHBondContact O-N 3.5Å; S581-C585 PolarHBondContact O-SG 3.4Å; S581-T728 VanDerWaalsContact OG-CG2 3.32Å; S581-T728 WeakPolarHBondContact OG-CG2 3.47Å; S581-T728 PolarHBondContact OG-OG1 2.95Å
582R85Confident80.7Confident179 Ų17944.1 Ų44.168%0.67524%0.239SC*.Hα-helixtrans-63.4-45.4172177.1179.4154.5-174.5-7.8112.4L578 L579 W580 C585 S586 F664L578-R582 VanDerWaalsContact O-CB 3.31Å; L578-R582 WeakPolarHBondContact O-CB 3.3Å; L578-R582 PolarHBondContact O-N 2.6Å; L579-R582 PolarHBondContact O-N 2.99Å; W580-R582 VanDerWaalsContact C-N 3.26Å; W580-R582 PolarHBondContact O-N 3.2Å; R582-C585 PolarHBondContact O-N 2.68Å; R582-S586 PolarHBondContact O-N 3.28Å; R582-F664 HydrophobicContact CB-CE1 4.24Å
583K84.5Confident81.7Confident39 Ų3947.3 Ų47.317%0.1725%0.247CC..Hα-helixtrans-63.4-40.3176.1-63.9-100.4-168.3166.30111.1L565 E568 L579 W580 S586 A587 L770L565-K583 HydrophobicContact CD1-CD 3.96Å; L565-K583 HydrophobicContact CD1-CG 4.31Å; E568-K583 IonicContact OE1-NZ 3.07Å; E568-K583 PolarHBondContact OE1-NZ 3.03Å; E568-K583 WeakPolarHBondContact OE2-CE 3.36Å; E568-K583 IonicContact OE2-NZ 3.41Å; E568-K583 PolarHBondContact OE2-NZ 3.04Å; L579-K583 WeakPolarHBondContact O-CG 3.22Å; L579-K583 PolarHBondContact O-N 3.36Å; W580-K583 PolarHBondContact O-N 2.83Å; K583-S586 PolarHBondContact O-N 3Å; K583-A587 WeakPolarHBondContact O-CB 3.43Å; K583-A587 PolarHBondContact O-N 2.82Å; K583-L770 HydrophobicContact CB-CD2 4.12Å
584V86.7Confident82.8Confident0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-64.5-44.4174.3177.60000111.6I554 W580 S581 S586 A587 V588 L737 V766 L770I554-V584 HydrophobicContact CB-CG1 4.36Å; I554-V584 HydrophobicContact CD1-CG1 3.81Å; I554-V584 HydrophobicContact CG2-CG1 4.01Å; W580-V584 HydrophobicContact CD2-CG2 3.88Å; W580-V584 HydrophobicContact CE3-CG2 4.44Å; W580-V584 HydrophobicContact CG-CG2 4.31Å; W580-V584 HydrophobicContact CH2-CG2 4.19Å; W580-V584 HydrophobicContact CZ2-CG2 3.59Å; W580-V584 WeakPolarHBondContact O-CG2 3.15Å; W580-V584 PolarHBondContact O-N 2.86Å; S581-V584 PolarHBondContact O-N 3.32Å; V584-S586 PolarHBondContact O-N 2.94Å; V584-A587 PolarHBondContact O-N 3.49Å; V584-V588 HydrophobicContact CG1-CG2 4.42Å; V584-V588 VanDerWaalsContact O-CG2 3.3Å; V584-V588 WeakPolarHBondContact O-CG2 3.44Å; V584-V588 PolarHBondContact O-N 3.08Å; V584-L737 HydrophobicContact CB-CD2 4.14Å; V584-L737 HydrophobicContact CG1-CB 4.25Å; V584-L737 HydrophobicContact CG1-CD2 3.48Å; V584-L737 VanDerWaalsContact CG1-CD2 3.48Å; V584-L737 HydrophobicContact CG1-CG 4.5Å; V584-V766 HydrophobicContact CG1-CG1 4.15Å; V584-L770 HydrophobicContact CG2-CD1 4.12Å
585C88.8Confident84.4Confident9 Ų941.8 Ų41.86%0.06121%0.207CC..Hα-helixtrans-61.6-42.3176.8-73.70000111.9S581 R582 V588 E589 W667S581-C585 WeakPolarHBondContact O-CB 3.4Å; S581-C585 PolarHBondContact O-N 3.5Å; S581-C585 PolarHBondContact O-SG 3.4Å; R582-C585 PolarHBondContact O-N 2.68Å; C585-V588 PolarHBondContact O-N 2.86Å; C585-E589 PolarHBondContact O-N 2.83Å; C585-W667 HydrophobicContact CB-CH2 3.72Å; C585-W667 HydrophobicContact CB-CZ2 3.95Å; C585-W667 WeakPolarHBondContact O-CZ2 3.45Å
586S89.3Confident85.6Confident39 Ų3939.9 Ų39.927%0.27319%0.188SC..Hα-helixtrans-60.4-44.7172.5171.20000111.9R582 K583 V584 V588 E589 V590R582-S586 PolarHBondContact O-N 3.28Å; K583-S586 PolarHBondContact O-N 3Å; V584-S586 PolarHBondContact O-N 2.94Å; S586-V588 VanDerWaalsContact C-N 3.35Å; S586-V588 PolarHBondContact O-N 2.76Å; S586-E589 WeakPolarHBondContact O-CB 3.45Å; S586-E589 PolarHBondContact O-N 2.98Å; S586-V590 WeakPolarHBondContact O-CG2 3.46Å; S586-V590 PolarHBondContact O-N 3.34Å
587A89.3Confident86.3Confident0 Ų044.5 Ų44.50%020%0.204CC..Hα-helixtrans-62.9-37.7175.400000113.1K583 V584 V590 V591 V766 V769 L770K583-A587 WeakPolarHBondContact O-CB 3.43Å; K583-A587 PolarHBondContact O-N 2.82Å; V584-A587 PolarHBondContact O-N 3.49Å; A587-V590 PolarHBondContact O-N 3.14Å; A587-V591 WeakPolarHBondContact O-CG2 3.48Å; A587-V591 PolarHBondContact O-N 3.32Å; A587-V766 HydrophobicContact CB-CB 4.41Å; A587-V766 HydrophobicContact CB-CG1 3.87Å; A587-V766 HydrophobicContact CB-CG2 4.28Å; A587-V769 HydrophobicContact CB-CB 3.91Å; A587-V769 HydrophobicContact CB-CG1 3.66Å; A587-L770 HydrophobicContact CB-CD2 4.3Å; A587-L770 HydrophobicContact CB-CG 4.24Å
588V90.7Very high87.4Confident1 Ų141 Ų411%0.00619%0.191CC..Hα-helixtrans-62.9-44.1173.2169.70000110.8I554 V584 C585 S586 V591 L592 W667 L739 V762 V766I554-V588 HydrophobicContact CD1-CG2 3.8Å; V584-V588 HydrophobicContact CG1-CG2 4.42Å; V584-V588 VanDerWaalsContact O-CG2 3.3Å; V584-V588 WeakPolarHBondContact O-CG2 3.44Å; V584-V588 PolarHBondContact O-N 3.08Å; C585-V588 PolarHBondContact O-N 2.86Å; S586-V588 VanDerWaalsContact C-N 3.35Å; S586-V588 PolarHBondContact O-N 2.76Å; V588-V591 PolarHBondContact O-N 2.91Å; V588-L592 HydrophobicContact CG1-CD1 3.93Å; V588-L592 HydrophobicContact CG1-CG 4.38Å; V588-L592 WeakPolarHBondContact O-CG 3.32Å; V588-L592 PolarHBondContact O-N 2.83Å; V588-W667 HydrophobicContact CB-CH2 4.35Å; V588-W667 HydrophobicContact CG1-CH2 4.17Å; V588-W667 HydrophobicContact CG1-CZ3 4.13Å; V588-L739 HydrophobicContact CG1-CD1 3.96Å; V588-L739 HydrophobicContact CG2-CD1 3.81Å; V588-L739 HydrophobicContact CG2-CD2 4.41Å; V588-V762 HydrophobicContact CG1-CG1 4.48Å; V588-V762 HydrophobicContact CG2-CG1 4.16Å; V588-V766 HydrophobicContact CB-CG2 4.38Å; V588-V766 HydrophobicContact CG2-CG2 3.62Å
589E90.6Very high88Confident71 Ų7140.2 Ų40.233%0.33219%0.185SC..Hα-helixtrans-60.3-46.1176-173.4174.4154.200111.5C585 S586 V591 L592 K593 L600 W667C585-E589 PolarHBondContact O-N 2.83Å; S586-E589 WeakPolarHBondContact O-CB 3.45Å; S586-E589 PolarHBondContact O-N 2.98Å; E589-V591 VanDerWaalsContact C-N 3.33Å; E589-V591 PolarHBondContact O-N 2.7Å; E589-L592 PolarHBondContact O-N 3.09Å; E589-K593 WeakPolarHBondContact O-CB 3.17Å; E589-K593 PolarHBondContact O-N 2.99Å; E589-K593 IonicContact OE1-NZ 2.68Å; E589-L600 HydrophobicContact CB-CD2 4.48Å; E589-L600 HydrophobicContact CG-CD2 3.79Å; E589-W667 PolarHBondContact OE2-NE1 2.76Å
590V90.1Very high88.5Confident31 Ų3139.5 Ų39.519%0.18818%0.181CC..Hα-helixtrans-58-42.6175169.40000111.7S586 A587 N594 V595 V769S586-V590 WeakPolarHBondContact O-CG2 3.46Å; S586-V590 PolarHBondContact O-N 3.34Å; A587-V590 PolarHBondContact O-N 3.14Å; V590-N594 HydrophobicContact CG1-CB 4.5Å; V590-N594 WeakPolarHBondContact O-CA 3.04Å; V590-N594 VanDerWaalsContact O-CB 3.27Å; V590-N594 WeakPolarHBondContact O-CB 3.45Å; V590-N594 PolarHBondContact O-N 2.93Å; V590-V595 PolarHBondContact O-N 3.21Å; V590-V769 HydrophobicContact CG1-CG1 4.44Å; V590-V769 HydrophobicContact CG1-CG2 4.01Å
591V91.4Very high88.4Confident0 Ų046.3 Ų46.30%021%0.213CC..Iπ-helixtrans-67-47.5178.91710000111.8A587 V588 E589 V595 L596 F761 V762 M765 V766 V769A587-V591 WeakPolarHBondContact O-CG2 3.48Å; A587-V591 PolarHBondContact O-N 3.32Å; V588-V591 PolarHBondContact O-N 2.91Å; E589-V591 VanDerWaalsContact C-N 3.33Å; E589-V591 PolarHBondContact O-N 2.7Å; V591-V595 VanDerWaalsContact O-CB 3.32Å; V591-V595 WeakPolarHBondContact O-CB 3.45Å; V591-V595 PolarHBondContact O-N 3.38Å; V591-L596 PolarHBondContact O-N 2.95Å; V591-F761 HydrophobicContact CG1-CD1 4.19Å; V591-F761 HydrophobicContact CG1-CE1 3.98Å; V591-V762 HydrophobicContact CG1-CG2 4.43Å; V591-M765 HydrophobicContact CB-CB 4.4Å; V591-M765 HydrophobicContact CG1-CB 3.87Å; V591-M765 HydrophobicContact CG1-CG 4.47Å; V591-M765 HydrophobicContact CG2-CB 3.52Å; V591-V766 HydrophobicContact CG2-CG2 4.15Å; V591-V769 HydrophobicContact CG2-CG2 4.05Å
592L92.1Very high87.7Confident3 Ų349.7 Ų49.72%0.01624%0.241CC..Iπ-helixtrans-64.9-48.7179.7-64.9174.2000111.2V588 E589 L596 R597 C598 L600 L758 V762V588-L592 HydrophobicContact CG1-CD1 3.93Å; V588-L592 HydrophobicContact CG1-CG 4.38Å; V588-L592 WeakPolarHBondContact O-CG 3.32Å; V588-L592 PolarHBondContact O-N 2.83Å; E589-L592 PolarHBondContact O-N 3.09Å; L592-L596 HydrophobicContact CD2-CD1 4.31Å; L592-L596 CarbonylContact O-C 3.52Å; L592-L596 WeakPolarHBondContact O-CB 3.21Å; L592-L596 PolarHBondContact O-N 2.58Å; L592-R597 PolarHBondContact O-N 2.78Å; L592-C598 HydrophobicContact CB-CB 4.2Å; L592-C598 WeakPolarHBondContact O-CB 3.33Å; L592-C598 PolarHBondContact O-N 2.95Å; L592-C598 PolarHBondContact O-SG 3.26Å; L592-L600 HydrophobicContact CB-CD1 3.9Å; L592-L600 HydrophobicContact CB-CD2 4.19Å; L592-L600 HydrophobicContact CD1-CD2 4.36Å; L592-L758 HydrophobicContact CD2-CD2 4.06Å; L592-V762 HydrophobicContact CD2-CG2 4.45Å
593K90.8Very high86Confident102 Ų10244.1 Ų44.144%0.44323%0.23SC..Iπ-helixtrans-76.3-53-173.9-165178.2-170.2169.60113E589 R597E589-K593 WeakPolarHBondContact O-CB 3.17Å; E589-K593 PolarHBondContact O-N 2.99Å; E589-K593 IonicContact OE1-NZ 2.68Å; K593-R597 WeakPolarHBondContact O-CA 3.34Å; K593-R597 PolarHBondContact O-N 2.8Å
594N88.3Confident83.8Confident91 Ų9148.5 Ų48.549%0.48726%0.26SS..Iπ-helixtrans-94-25.3-168-55.2-10.4000113.1V590 S703V590-N594 HydrophobicContact CG1-CB 4.5Å; V590-N594 WeakPolarHBondContact O-CA 3.04Å; V590-N594 VanDerWaalsContact O-CB 3.27Å; V590-N594 WeakPolarHBondContact O-CB 3.45Å; V590-N594 PolarHBondContact O-N 2.93Å; N594-S703 PolarHBondContact O-OG 2.93Å
595V90.6Very high81.3Confident4 Ų452.7 Ų52.72%0.02429%0.294CS..Iπ-helixtrans-100-36.6179.6-169.80000112V590 V591 L699 E702 T706 F761V590-V595 PolarHBondContact O-N 3.21Å; V591-V595 VanDerWaalsContact O-CB 3.32Å; V591-V595 WeakPolarHBondContact O-CB 3.45Å; V591-V595 PolarHBondContact O-N 3.38Å; V595-L699 HydrophobicContact CG2-CD2 3.83Å; V595-E702 HydrophobicContact CG1-CB 3.61Å; V595-T706 WeakPolarHBondContact O-CB 3.38Å; V595-T706 WeakPolarHBondContact O-CG2 3.32Å; V595-T706 PolarHBondContact O-OG1 2.79Å; V595-F761 HydrophobicContact CG1-CE1 4.12Å; V595-F761 HydrophobicContact CG1-CZ 3.85Å
596L92Very high78.5Confident0 Ų058.3 Ų58.30%033%0.331CS..THydrogen-bonded Turntrans-102.4-9.8-179.5-63.8-179.3000115.3V591 L592 C598 V675 T706 F757 L758 F761V591-L596 PolarHBondContact O-N 2.95Å; L592-L596 HydrophobicContact CD2-CD1 4.31Å; L592-L596 CarbonylContact O-C 3.52Å; L592-L596 WeakPolarHBondContact O-CB 3.21Å; L592-L596 PolarHBondContact O-N 2.58Å; L596-C598 PolarHBondContact O-N 3.14Å; L596-V675 HydrophobicContact CD2-CG2 4.3Å; L596-T706 WeakPolarHBondContact O-CG2 3.11Å; L596-F757 HydrophobicContact CD1-CE1 3.89Å; L596-F757 HydrophobicContact CD2-CE1 3.66Å; L596-F757 HydrophobicContact CD2-CZ 3.76Å; L596-F757 HydrophobicContact CG-CE1 4.46Å; L596-L758 HydrophobicContact CD1-CD2 3.52Å; L596-F761 HydrophobicContact CD1-CD1 3.99Å; L596-F761 HydrophobicContact CD1-CE1 4.03Å; L596-F761 HydrophobicContact CD2-CD1 4.05Å; L596-F761 HydrophobicContact CD2-CE1 3.5Å; L596-F761 VanDerWaalsContact CD2-CE1 3.5Å; L596-F761 HydrophobicContact CD2-CZ 3.97Å; L596-F761 HydrophobicContact CG-CD1 4.26Å; L596-F761 HydrophobicContact CG-CE1 3.78Å
597R90.1Very high75.6Confident121 Ų12159.1 Ų59.146%0.45735%0.346SS..  trans56.936.3-174.9-61.4-177.7173.6-179.3-3.6112.8L592 K593 T706 A707 D711L592-R597 PolarHBondContact O-N 2.78Å; K593-R597 WeakPolarHBondContact O-CA 3.34Å; K593-R597 PolarHBondContact O-N 2.8Å; R597-T706 HydrophobicContact CB-CG2 4.31Å; R597-T706 HydrophobicContact CG-CG2 4.05Å; R597-A707 VanDerWaalsContact NH2-CB 3.32Å; R597-D711 IonicContact NH1-OD1 3.52Å
598C90.6Very high72.9Confident4 Ų465.5 Ų65.53%0.02739%0.387CS..  trans-69.7136.1165.1-550000109.4L592 L596 L600 V670 Q671L592-C598 HydrophobicContact CB-CB 4.2Å; L592-C598 WeakPolarHBondContact O-CB 3.33Å; L592-C598 PolarHBondContact O-N 2.95Å; L592-C598 PolarHBondContact O-SG 3.26Å; L596-C598 PolarHBondContact O-N 3.14Å; C598-L600 HydrophobicContact CB-CD1 3.41Å; C598-L600 VanDerWaalsContact CB-CD1 3.41Å; C598-L600 WeakPolarHBondContact O-CD1 3.37Å; C598-V670 WeakPolarHBondContact CA-O 3.26Å; C598-Q671 PolarHBondContact SG-OE1 2.72Å
599E88.9Confident69.9Low97 Ų9774.6 Ų74.645%0.45343%0.429SS..EExtended strand (participates in β ladder)trans-82.2122.1168.1-68.4174.3164.400108C669 V670 K672E599-C669 CarbonylContact O-C 3.59Å; E599-C669 VanDerWaalsContact O-CA 3.3Å; E599-C669 WeakPolarHBondContact O-CA 3.44Å; E599-V670 HydrophobicContact CB-CB 4.36Å; E599-V670 PolarHBondContact N-O 3.41Å; E599-V670 PolarHBondContact O-N 2.84Å; E599-K672 IonicContact OE1-NZ 3.71Å; E599-K672 PolarHBondContact OE1-NZ 3.49Å; E599-K672 WeakPolarHBondContact OE2-CE 3.44Å; E599-K672 IonicContact OE2-NZ 3.79Å; E599-K672 PolarHBondContact OE2-NZ 3.28Å
600L86.9Confident66.9Low33 Ų3380.1 Ų80.117%0.17346%0.455CS..EExtended strand (participates in β ladder)trans-114.2121-172.8-95.568.1000110.9E589 L592 C598 W667 V668 C669E589-L600 HydrophobicContact CB-CD2 4.48Å; E589-L600 HydrophobicContact CG-CD2 3.79Å; L592-L600 HydrophobicContact CB-CD1 3.9Å; L592-L600 HydrophobicContact CB-CD2 4.19Å; L592-L600 HydrophobicContact CD1-CD2 4.36Å; C598-L600 HydrophobicContact CB-CD1 3.41Å; C598-L600 VanDerWaalsContact CB-CD1 3.41Å; C598-L600 WeakPolarHBondContact O-CD1 3.37Å; L600-W667 HydrophobicContact CD2-CG 4.37Å; L600-V668 WeakPolarHBondContact CA-O 3.32Å; L600-C669 HydrophobicContact CD1-CB 4.28Å
601E79.9Confident63.9Low148 Ų14887.4 Ų87.469%0.69249%0.489SS*.EExtended strand (participates in β ladder)trans-108127.4168.9-64.7-169.2167.400110V668E601-V668 PolarHBondContact N-O 2.88Å; E601-V668 PolarHBondContact O-N 3.01Å
602A64.4Low60.9Low71 Ų7196.4 Ų96.459%0.58753%0.531SS*.EExtended strand (participates in β ladder)trans-81.1121.4172.900000109T604A602-T604 PolarHBondContact O-N 3.43Å
603S51.3Low57.8Low63 Ų63102.4 Ų102.444%0.44157%0.568SS.*  trans-66.1103.8-178-173.50000111.2A605 P666S603-A605 PolarHBondContact O-N 3.15Å; S603-P666 PolarHBondContact N-O 3.02Å
604T38.1Very low54.7Low130 Ų130104.3 Ų104.380%0.79859%0.589SS**  trans-67.6113.5168.5460000109.1A602A602-T604 PolarHBondContact O-N 3.43Å
605A32.5Very low51.7Low88 Ų88108 Ų10873%0.72761%0.607SS**PPolyproline II helixtrans-63.9135.7169.700000109.5S603 G607S603-A605 PolarHBondContact O-N 3.15Å; A605-G607 PolarHBondContact O-N 2.89Å
606P31.3Very low48.6Very low128 Ų128115.8 Ų115.883%0.83165%0.649SS**PPolyproline II helixtrans-60.7136.4172.926-33.4000109.6
607G27.8Very low45.3Very low56 Ų56121.6 Ų121.658%0.57768%0.68SS**PPolyproline II helixtrans-67.4164.317400000111.7A605 E609A605-G607 PolarHBondContact O-N 2.89Å; G607-E609 PolarHBondContact O-N 3.13Å
608P32.2Very low42.3Very low133 Ų133121.6 Ų121.686%0.86470%0.699SS**  trans-71.199.6169.230.6-31.7000109
609E28.9Very low39.2Very low192 Ų192127 Ų12790%0.89773%0.732SS**  trans-64141.2166.9-69.5-173.2146.100109.9G607G607-E609 PolarHBondContact O-N 3.13Å
610E27.8Very low36.1Very low187 Ų187131.8 Ų131.887%0.87475%0.754SS**  trans-75.6139.4-172.1-63.3-174.4123.500111.3E612E610-E612 VanDerWaalsContact C-N 3.33Å; E610-E612 PolarHBondContact O-N 2.9Å
611M26.8Very low33.1Very low184 Ų184135.1 Ų135.191%0.90678%0.78SS**  trans-8174.7-173.5-171.8177.7-179.500111.3T613M611-T613 PolarHBondContact O-N 3.21Å
612E26.9Very low30.6Very low190 Ų190133 Ų13389%0.88878%0.778SS**  trans-65.1132.2168.3-79.8-143.1131.600111.3E610E610-E612 VanDerWaalsContact C-N 3.33Å; E610-E612 PolarHBondContact O-N 2.9Å
613T28.2Very low28.6Very low128 Ų128137.6 Ų137.679%0.78579%0.787SS**  trans-86.5120.8-175.6520000111.8M611M611-T613 PolarHBondContact O-N 3.21Å
614T24.4Very low27.4Very low143 Ų143139.4 Ų139.488%0.87780%0.799SS**  trans-129.1131.3150.742.50000110.6
615L27Very low26.7Very low168 Ų168141.3 Ų141.388%0.8880%0.804SS**  trans-80.5142.3164.7-68.6123.3000108.2
616N25.4Very low26.4Very low167 Ų167142.1 Ų142.189%0.89381%0.805SS**  -155.6149.8124.9-115.4-22000114.4
617D22.9Very low26.2Very low122 Ų122144.3 Ų144.365%0.65281%0.81SS**  trans-74.1147.8179.4178.823.8000112.1
618S25.9Very low26Very low122 Ų122144.7 Ų144.785%0.85381%0.814SS**  trans-164.1103.5152.3-82.40000109.8
619T25.1Very low25.7Very low118 Ų118144 Ų14472%0.72481%0.812SS**  trans-77.3145.3174.6460000112.3
620Q24.3Very low26.4Very low196 Ų196140.1 Ų140.192%0.91680%0.803SS**  trans-156.2145.3136.6-115.116640.300112.6
621S23.7Very low26.5Very low104 Ų104137.4 Ų137.473%0.72779%0.79SS**  trans-83.2-177.617744.30000110.2
622V26.8Very low26.5Very low104 Ų104138.3 Ų138.363%0.6378%0.784SS**  -170.5147.464.7166.10000109.5
623E24.2Very low26.6Very low167 Ų167135.6 Ų135.678%0.7878%0.78SS**  trans41127.2161.9-67.8146-148.300120.3
624S25.2Very low26.5Very low101 Ų101132.7 Ų132.771%0.70678%0.776SS**  cis72.6116.432.891.30000116.4
625N24.4Very low26.8Very low169 Ų169133 Ų13390%0.90478%0.778SS**  trans-151.8152.6144.2-123.5-35000110.7
626S26.1Very low26.8Very low105 Ų105134.4 Ų134.473%0.73478%0.777SS**  trans-144.3140.2-161.659.10000114
627D25.6Very low26.9Very low175 Ų175137.6 Ų137.694%0.93678%0.776SS**  trans-165.7153.2155.1-106.6-30.3000108.5
628G25.1Very low27.6Very low64 Ų64137 Ų13766%0.6678%0.779SS**  cis-167.9144.7-6.800000109.4
629S24.4Very low27.9Very low118 Ų118139.1 Ų139.183%0.82578%0.78SS**  trans-95.8-171.5-168.6-42.50000112.8
630P45.3Very low28.6Very low110 Ų110139 Ų13971%0.71478%0.781SS**  cis-127.6-124.8-14.423.15000110.3
631Q28.9Very low28.8Very low130 Ų130135.5 Ų135.561%0.60778%0.778SS**  cis-164.1140.8-8.6-143.6-178.594.500111.5
632R27.5Very low29Very low203 Ų203134.4 Ų134.477%0.76678%0.784SS**  trans64.5154.8144.2-85.5175.7-161.6173.7-3.7122.4
633T27.6Very low29.1Very low133 Ų133134.6 Ų134.682%0.81679%0.79SS**  cis-166.7158-25.5100000113.4
634G27.3Very low29.2Very low68 Ų68133.8 Ų133.870%0.70179%0.791SS**  trans94.6158.4148.400000118.3
635T29.7Very low29.2Very low148 Ų148136.2 Ų136.291%0.90880%0.796SS**  cis-157.6170.4-18-28.70000110.4
636K27.2Very low29.4Very low198 Ų198133.3 Ų133.386%0.86179%0.789SS**  trans-87.6170.8178.9-61.6166.3-179.3171.30111
637R27.3Very low29.6Very low234 Ų234133.6 Ų133.688%0.88380%0.798SS**  cis-160.7-164.610.6-136.7-172170.7-178.2-2.7105.9
638P39Very low29.8Very low110 Ų110131.4 Ų131.471%0.71479%0.791SS**  cis-133.2-158.6-12.842.4-21.4000115.1
639L31.5Very low30.8Very low167 Ų167133.9 Ų133.987%0.87480%0.795SS**  trans-130.3155.1178.3-75.3167000112
640P39.8Very low31.4Very low115 Ų115134.3 Ų134.375%0.74780%0.795SS**  trans-124.7126142.933.3-20.2000110.4
641S29Very low30.8Very low122 Ų122132.7 Ų132.785%0.85380%0.798SS**  100110.257.170.50000112.6
642G27Very low30.7Very low82 Ų82136.4 Ų136.485%0.84581%0.813SS**  trans-174.7130.5174.200000111.1
643S28.4Very low31.2Very low108 Ų108136.8 Ų136.876%0.75582%0.82SS**  trans-89.5166.4-174.936.40000113.1
644D27.3Very low31.1Very low150 Ų150137.5 Ų137.580%0.80282%0.818SS**  cis-155.8174.8-14.2-108.6-37.8000109.8
645D25.5Very low31.5Very low151 Ų151146 Ų14681%0.80783%0.829SS**  trans44.594.1160.8-80.5-25.2000120.3
646S27.5Very low31.4Very low109 Ų109145.2 Ų145.276%0.76282%0.818SS**  trans-162.3105.9142.5-84.60000111.4T648S646-T648 PolarHBondContact O-N 3.06Å; S646-T648 PolarHBondContact O-OG1 3.4Å
647A31.8Very low31.6Very low111 Ų111140.3 Ų140.392%0.91782%0.815SS**  trans-62.5119.3-173.400000113
648T28.1Very low31.6Very low129 Ų129139.9 Ų139.979%0.79181%0.813SS**  trans-144159.9178.330.70000112.2S646S646-T648 PolarHBondContact O-N 3.06Å; S646-T648 PolarHBondContact O-OG1 3.4Å
649P46.9Very low31.1Very low115 Ų115141 Ų14175%0.74782%0.818SS**  trans-94.9-178.6-160.640.8-39.4000113.4
650P37.8Very low31.3Very low128 Ų128136.6 Ų136.683%0.83181%0.806SS**  -144.9155.193.537.5-22.3000115
651G31.3Very low31.3Very low75 Ų75140 Ų14077%0.77381%0.809SS**  trans-88.3174.8178.400000115.2
652K26.7Very low32.2Very low209 Ų209137.3 Ų137.391%0.90979%0.794SS**  trans-132.6139.5163.9-94.4175.3177.8170.40110.5L654K652-L654 PolarHBondContact O-N 2.92Å; K652-L654 VanDerWaalsContact O-N 3.12Å
653K38.6Very low33.7Very low210 Ų210137.7 Ų137.791%0.91378%0.777SS**  trans-68.9102.3175.8-68.6172.4177.6172.40109.9R655K653-R655 PolarHBondContact O-N 3.39Å
654L26.5Very low35.8Very low149 Ų149134.2 Ų134.278%0.7875%0.748SS**  trans-80.4106.3167.3-168.763.9000109.4K652 L656K652-L654 PolarHBondContact O-N 2.92Å; K652-L654 VanDerWaalsContact O-N 3.12Å; L654-L656 VanDerWaalsContact C-N 3.34Å; L654-L656 HydrophobicContact CD2-CD1 3.9Å; L654-L656 HydrophobicContact CG-CD1 4.35Å; L654-L656 PolarHBondContact O-N 3.46Å
655R34.6Very low38.3Very low247 Ų247130.8 Ų130.893%0.93273%0.734SS**  trans-80.278.8-178.5-172.9-173.1-175-174.81.1110.1K653K653-R655 PolarHBondContact O-N 3.39Å
656L27.6Very low41.1Very low130 Ų130125.2 Ų125.268%0.68171%0.706SS**  trans-103.798.7174.6-106.8166.5000111L654 R658L654-L656 VanDerWaalsContact C-N 3.34Å; L654-L656 HydrophobicContact CD2-CD1 3.9Å; L654-L656 HydrophobicContact CG-CD1 4.35Å; L654-L656 PolarHBondContact O-N 3.46Å; L656-R658 PolarHBondContact O-N 3.17Å
657A31.3Very low44.1Very low96 Ų96121 Ų12179%0.79367%0.673SS**  trans-75.680.516500000109T659A657-T659 PolarHBondContact O-N 3.44Å; A657-T659 VanDerWaalsContact O-N 3.16Å
658R27.3Very low46.9Very low224 Ų224117.4 Ų117.485%0.84564%0.64SS**  trans-68107.7161-92.2177.562.5166-3.3107.4L656 A660L656-R658 PolarHBondContact O-N 3.17Å; R658-A660 PolarHBondContact O-N 2.93Å
659T29.5Very low50Low133 Ų133111.3 Ų111.382%0.81660%0.602SS**PPolyproline II helixtrans-51125.4155.327.50000107.9A657 K661A657-T659 PolarHBondContact O-N 3.44Å; A657-T659 VanDerWaalsContact O-N 3.16Å; T659-K661 PolarHBondContact O-N 3.4Å
660A35.3Very low52.1Low75 Ų75107.7 Ų107.762%0.6258%0.578SS**PPolyproline II helixtrans-64.4131.216700000107.5R658R658-A660 PolarHBondContact O-N 2.93Å
661K39.8Very low54.7Low188 Ų188101.7 Ų101.782%0.81754%0.539SS*.PPolyproline II helixtrans-62151.2163.2-76.9-170.2170.5-170.30108T659T659-K661 PolarHBondContact O-N 3.4Å
662A47.3Very low57.6Low65 Ų65101.2 Ų101.254%0.53752%0.516SS..PPolyproline II helixtrans-65.6136.5165.600000108.7F664A662-F664 WeakPolarHBondContact CB-O 3.31Å; A662-F664 PolarHBondContact O-N 3.23Å
663D58.7Low60.6Low89 Ų8993.1 Ų93.148%0.47648%0.481SS..SBendtrans-73-13179.3-48.7-55.2000112.2T728D663-T728 WeakPolarHBondContact OD2-CB 3.48Å; D663-T728 PolarHBondContact OD2-N 2.93Å; D663-T728 PolarHBondContact OD2-OG1 3.2Å; D663-T728 VanDerWaalsContact OD2-OG1 3.13Å
664F72.6Confident63Low36 Ų3684.1 Ų84.116%0.15845%0.446CS..SBendtrans-140.2152-172.3-63.7-79.2000109.7L578 R582 A662 P726L578-F664 HydrophobicContact CD1-CZ 4.1Å; R582-F664 HydrophobicContact CB-CE1 4.24Å; A662-F664 WeakPolarHBondContact CB-O 3.31Å; A662-F664 PolarHBondContact O-N 3.23Å; F664-P726 HydrophobicContact CB-CB 4.45Å; F664-P726 HydrophobicContact CB-CG 3.77Å
665P79.2Confident66Low78 Ų7877.1 Ų77.151%0.50641%0.409SS..PPolyproline II helixtrans-66.2148.9172.729.8-35.1000110.8
666P85.1Confident68.6Low33 Ų3367 Ų6721%0.21437%0.371CS..PPolyproline II helixtrans-76.2141.4171.232.4-32.8000110.6S603 K723 V724S603-P666 PolarHBondContact N-O 3.02Å; P666-K723 HydrophobicContact CB-CG 4.23Å; P666-V724 WeakPolarHBondContact CA-O 3.32Å
667W90.4Very high71.2Confident21 Ų2164.9 Ų64.98%0.0836%0.363CS..EExtended strand (participates in β ladder)trans-85.8136.4166.4-56-82.6000109.3C585 V588 E589 L600 K723 V724 P726 L739C585-W667 HydrophobicContact CB-CH2 3.72Å; C585-W667 HydrophobicContact CB-CZ2 3.95Å; C585-W667 WeakPolarHBondContact O-CZ2 3.45Å; V588-W667 HydrophobicContact CB-CH2 4.35Å; V588-W667 HydrophobicContact CG1-CH2 4.17Å; V588-W667 HydrophobicContact CG1-CZ3 4.13Å; E589-W667 PolarHBondContact OE2-NE1 2.76Å; L600-W667 HydrophobicContact CD2-CG 4.37Å; W667-K723 CarbonylContact O-C 3.58Å; W667-K723 WeakPolarHBondContact O-CA 3.46Å; W667-V724 HydrophobicContact CE3-CB 3.92Å; W667-V724 HydrophobicContact CE3-CG1 3.78Å; W667-V724 HydrophobicContact CZ3-CG1 3.99Å; W667-V724 PolarHBondContact N-O 3.26Å; W667-V724 PolarHBondContact O-N 3.12Å; W667-P726 HydrophobicContact CE3-CG 4.06Å; W667-P726 HydrophobicContact CH2-CB 4.36Å; W667-P726 HydrophobicContact CH2-CG 3.98Å; W667-P726 HydrophobicContact CZ3-CB 3.96Å; W667-P726 HydrophobicContact CZ3-CG 3.51Å; W667-L739 HydrophobicContact CZ3-CD2 4.33Å
668V90.5Very high73.5Confident36 Ų3662.3 Ų62.322%0.21835%0.346CS..EExtended strand (participates in β ladder)trans-96.7131.6159.8-178.30000106.9L600 E601 E721L600-V668 WeakPolarHBondContact CA-O 3.32Å; E601-V668 PolarHBondContact N-O 2.88Å; E601-V668 PolarHBondContact O-N 3.01Å; V668-E721 HydrophobicContact CG1-CG 4.09Å
669C92.3Very high76.4Confident0 Ų052.1 Ų52.10%031%0.307CS..EExtended strand (participates in β ladder)trans-128.2127.7-170.6-590000109.8E599 L600 E721 F722E599-C669 CarbonylContact O-C 3.59Å; E599-C669 VanDerWaalsContact O-CA 3.3Å; E599-C669 WeakPolarHBondContact O-CA 3.44Å; L600-C669 HydrophobicContact CD1-CB 4.28Å; C669-E721 WeakPolarHBondContact O-CA 3.02Å; C669-F722 WeakPolarHBondContact CA-O 3.46Å; C669-F722 HydrophobicContact CB-CD1 3.84Å; C669-F722 HydrophobicContact CB-CD2 3.97Å; C669-F722 HydrophobicContact CB-CE1 3.34Å; C669-F722 HydrophobicContact CB-CE2 3.53Å; C669-F722 HydrophobicContact CB-CG 4.12Å; C669-F722 HydrophobicContact CB-CZ 3.18Å; C669-F722 WeakPolarHBondContact CB-O 3.4Å; C669-F722 PolarHBondContact N-O 2.82Å; C669-F722 VanDerWaalsContact O-CD1 3.22Å; C669-F722 WeakPolarHBondContact O-CD1 3.5Å; C669-F722 PolarHBondContact O-N 2.97Å
670V92.1Very high78.7Confident40 Ų4054.4 Ų54.424%0.24230%0.301CS..EExtended strand (participates in β ladder)trans-111.8130.1174.5-178.30000109.7C598 E599 K672 P719 E721C598-V670 WeakPolarHBondContact CA-O 3.26Å; E599-V670 HydrophobicContact CB-CB 4.36Å; E599-V670 PolarHBondContact N-O 3.41Å; E599-V670 PolarHBondContact O-N 2.84Å; V670-K672 HydrophobicContact CG1-CG 4.49Å; V670-P719 HydrophobicContact CG1-CB 3.72Å; V670-E721 HydrophobicContact CG2-CB 4.49Å; V670-E721 HydrophobicContact CG2-CG 4.24Å
671Q93.1Very high80.7Confident2 Ų257.6 Ų57.61%0.00930%0.301CS..EExtended strand (participates in β ladder)trans-118110.6178.8-176.858.541.800110.2C598 H673 V675 W676 L720 F722 F754C598-Q671 PolarHBondContact SG-OE1 2.72Å; Q671-H673 WeakPolarHBondContact CG-O 3.13Å; Q671-H673 PolarHBondContact NE2-O 2.71Å; Q671-V675 VanDerWaalsContact NE2-CG2 3.35Å; Q671-W676 HydrophobicContact CG-CZ3 3.88Å; Q671-L720 HydrophobicContact CB-CB 4.36Å; Q671-L720 PolarHBondContact N-O 2.7Å; Q671-L720 PolarHBondContact O-N 3.07Å; Q671-F722 HydrophobicContact CB-CE1 4.23Å; Q671-F754 HydrophobicContact CB-CE1 4.46Å; Q671-F754 HydrophobicContact CB-CZ 4.42Å; Q671-F754 HydrophobicContact CG-CE2 4.35Å; Q671-F754 HydrophobicContact CG-CZ 4.09Å
672K90.6Very high82.7Confident64 Ų6449.2 Ų49.228%0.27827%0.265SS..  trans-86.3-26.7-175.4-69.6176.5174.5165.10114.9E599 V670 E715 L716 P719E599-K672 IonicContact OE1-NZ 3.71Å; E599-K672 PolarHBondContact OE1-NZ 3.49Å; E599-K672 WeakPolarHBondContact OE2-CE 3.44Å; E599-K672 IonicContact OE2-NZ 3.79Å; E599-K672 PolarHBondContact OE2-NZ 3.28Å; V670-K672 HydrophobicContact CG1-CG 4.49Å; K672-E715 HydrophobicContact CB-CG 4.45Å; K672-E715 WeakPolarHBondContact O-CA 3.42Å; K672-L716 WeakPolarHBondContact O-CB 3.18Å; K672-L716 WeakPolarHBondContact O-CG 3.06Å; K672-L716 PolarHBondContact O-N 2.91Å; K672-P719 HydrophobicContact CG-CB 4.27Å; K672-P719 HydrophobicContact CG-CG 4.31Å
673H90.3Very high84.5Confident40 Ų4050.6 Ų50.619%0.18526%0.257CS..SBendtrans-120.3152-175.1-65.481.6000111.7Q671 V675 W676 A710 E715Q671-H673 WeakPolarHBondContact CG-O 3.13Å; Q671-H673 PolarHBondContact NE2-O 2.71Å; H673-V675 HydrophobicContact CB-CG1 3.85Å; H673-V675 PolarHBondContact O-N 3.04Å; H673-W676 WeakPolarHBondContact O-CZ3 3.15Å; H673-A710 HydrophobicContact CB-CB 4.36Å; H673-E715 WeakPolarHBondContact CE1-CG 3.44Å; H673-E715 IonicContact CE1-OE1 2.62Å; H673-E715 PolarHBondContact CE1-OE1 3.44Å; H673-E715 VanDerWaalsContact NE2-CG 3.32Å; H673-E715 WeakPolarHBondContact NE2-CG 3.34Å
674A88.8Confident85.5Confident21 Ų2153.6 Ų53.617%0.17426%0.261CS..  trans-74.445.9-179.300000114.3W676 V677 L716A674-W676 HydrophobicContact CB-CH2 4.37Å; A674-W676 HydrophobicContact CB-CZ2 4.36Å; A674-W676 PolarHBondContact O-N 3.28Å; A674-V677 HydrophobicContact CB-CB 4.49Å; A674-V677 HydrophobicContact CB-CG2 4.11Å; A674-V677 WeakPolarHBondContact O-CB 3.27Å; A674-V677 PolarHBondContact O-N 3.04Å; A674-L716 HydrophobicContact CB-CD2 4.23Å
675V89.4Confident85.7Confident2 Ų255.2 Ų55.21%0.01227%0.269CS..THydrogen-bonded Turntrans-61.3-11.5-166.1-60.10000116L596 Q671 H673 R679 T706 F754L596-V675 HydrophobicContact CD2-CG2 4.3Å; Q671-V675 VanDerWaalsContact NE2-CG2 3.35Å; H673-V675 HydrophobicContact CB-CG1 3.85Å; H673-V675 PolarHBondContact O-N 3.04Å; V675-R679 WeakPolarHBondContact O-CD 3.47Å; V675-R679 WeakPolarHBondContact O-CG 3.45Å; V675-R679 PolarHBondContact O-NH1 2.67Å; V675-T706 HydrophobicContact CB-CG2 4.16Å; V675-T706 HydrophobicContact CG1-CG2 3.79Å; V675-F754 HydrophobicContact CG2-CE2 4.39Å
676W88.9Confident85.6Confident35 Ų3553.7 Ų53.713%0.13326%0.257CS..THydrogen-bonded Turntrans-83.1-25173.858.9102.3000113Q671 H673 A674 L716 V750 F754 F757Q671-W676 HydrophobicContact CG-CZ3 3.88Å; H673-W676 WeakPolarHBondContact O-CZ3 3.15Å; A674-W676 HydrophobicContact CB-CH2 4.37Å; A674-W676 HydrophobicContact CB-CZ2 4.36Å; A674-W676 PolarHBondContact O-N 3.28Å; W676-L716 HydrophobicContact CH2-CD1 3.89Å; W676-L716 HydrophobicContact CZ3-CD1 4.43Å; W676-V750 HydrophobicContact CH2-CB 4.48Å; W676-V750 HydrophobicContact CH2-CG2 4.06Å; W676-V750 HydrophobicContact CZ2-CB 3.9Å; W676-V750 HydrophobicContact CZ2-CG2 3.99Å; W676-F754 HydrophobicContact CB-CD2 4.18Å; W676-F754 HydrophobicContact CD2-CB 4.06Å; W676-F754 AromaticContact CD2-CD2 3.62Å; W676-F754 HydrophobicContact CD2-CD2 3.62Å; W676-F754 HydrophobicContact CD2-CG 4.25Å; W676-F754 HydrophobicContact CE3-CB 4.17Å; W676-F754 AromaticContact CE3-CD2 3.17Å; W676-F754 HydrophobicContact CE3-CD2 3.17Å; W676-F754 AromaticContact CE3-CE2 3.73Å; W676-F754 HydrophobicContact CE3-CE2 3.73Å; W676-F754 AromaticContact CE3-CG 3.92Å; W676-F754 HydrophobicContact CE3-CG 3.92Å; W676-F754 HydrophobicContact CG-CD2 4.06Å; W676-F754 HydrophobicContact CH2-CB 4.38Å; W676-F754 HydrophobicContact CZ2-CB 4.33Å; W676-F754 HydrophobicContact CZ3-CB 4.3Å; W676-F754 AromaticContact CZ3-CD2 3.71Å; W676-F754 HydrophobicContact CZ3-CD2 3.71Å; W676-F754 HydrophobicContact CZ3-CE2 4.21Å; W676-F754 HydrophobicContact CZ3-CG 4.08Å; W676-F757 HydrophobicContact CB-CB 3.65Å; W676-F757 HydrophobicContact CB-CD1 3.55Å; W676-F757 HydrophobicContact CB-CD2 3.87Å; W676-F757 HydrophobicContact CB-CE1 4.13Å; W676-F757 HydrophobicContact CB-CE2 4.43Å; W676-F757 HydrophobicContact CB-CG 3.39Å; W676-F757 HydrophobicContact CG-CB 4.46Å
677V83.8Confident85Confident85 Ų8556.3 Ų56.352%0.51527%0.272SS..SBendtrans-77.8152.3178.6-172.80000109.7A674 R679 I709A674-V677 HydrophobicContact CB-CB 4.49Å; A674-V677 HydrophobicContact CB-CG2 4.11Å; A674-V677 WeakPolarHBondContact O-CB 3.27Å; A674-V677 PolarHBondContact O-N 3.04Å; V677-R679 PolarHBondContact O-N 3.41Å; V677-I709 WeakPolarHBondContact O-CD1 3.5Å
678G79Confident83.8Confident41 Ų4164 Ų6442%0.42331%0.306SS..SBendtrans70.6-18.6168.300000117.6R680 K681 V682G678-R680 VanDerWaalsContact C-N 3.25Å; G678-R680 PolarHBondContact O-N 3Å; G678-K681 WeakPolarHBondContact O-CA 3.4Å; G678-K681 WeakPolarHBondContact O-CB 3.29Å; G678-K681 PolarHBondContact O-N 3.16Å; G678-V682 PolarHBondContact O-N 2.79Å
679R87.1Confident82Confident11 Ų1164 Ų644%0.04231%0.313CS..Hα-helixtrans-41.7-43.8-171.6-61.4-169.279.579.5-2115.1V675 V677 K681 V682 R683 E702 V705 T706 I709V675-R679 WeakPolarHBondContact O-CD 3.47Å; V675-R679 WeakPolarHBondContact O-CG 3.45Å; V675-R679 PolarHBondContact O-NH1 2.67Å; V677-R679 PolarHBondContact O-N 3.41Å; R679-K681 VanDerWaalsContact C-N 3.32Å; R679-K681 PolarHBondContact O-N 3.42Å; R679-V682 PolarHBondContact O-N 2.8Å; R679-R683 VanDerWaalsContact O-CB 3.31Å; R679-R683 WeakPolarHBondContact O-CB 3.47Å; R679-R683 PolarHBondContact O-N 2.94Å; R679-E702 IonicContact CZ-OE2 2.91Å; R679-E702 IonicContact NE-OE2 2.68Å; R679-E702 PolarHBondContact NE-OE2 3.45Å; R679-E702 PolarHBondContact NH2-O 3.09Å; R679-E702 IonicContact NH2-OE2 3.8Å; R679-E702 PolarHBondContact NH2-OE2 3.11Å; R679-V705 HydrophobicContact CB-CG1 3.89Å; R679-V705 HydrophobicContact CG-CG1 4.05Å; R679-T706 PolarHBondContact NH1-OG1 3.24Å; R679-T706 PolarHBondContact NH2-OG1 3.48Å; R679-T706 VanDerWaalsContact NH2-OG1 3.1Å; R679-I709 HydrophobicContact CB-CD1 4.36Å; R679-I709 HydrophobicContact CG-CD1 3.62Å
680R78.8Confident79.8Confident180 Ų18070.1 Ų70.168%0.67935%0.353SS*.Hα-helixtrans-65.2-29.2-179.9-167.4-178.8-172.1-164.35.8113.9G678 R684G678-R680 VanDerWaalsContact C-N 3.25Å; G678-R680 PolarHBondContact O-N 3Å; R680-R684 WeakPolarHBondContact O-CD 3.36Å; R680-R684 VanDerWaalsContact O-CG 3.29Å; R680-R684 WeakPolarHBondContact O-CG 3.39Å
681K77.4Confident77.7Confident142 Ų14275.5 Ų75.562%0.61738%0.381SS*.Hα-helixtrans-75-52.6173.5-172.1-170.6179.5-105.80109.5G678 R679 R683 R684 E685G678-K681 WeakPolarHBondContact O-CA 3.4Å; G678-K681 WeakPolarHBondContact O-CB 3.29Å; G678-K681 PolarHBondContact O-N 3.16Å; R679-K681 VanDerWaalsContact C-N 3.32Å; R679-K681 PolarHBondContact O-N 3.42Å; K681-R683 PolarHBondContact O-N 3.07Å; K681-R684 CarbonylContact O-C 3.47Å; K681-R684 WeakPolarHBondContact O-CA 3.48Å; K681-R684 WeakPolarHBondContact O-CB 3.29Å; K681-R684 PolarHBondContact O-N 3.45Å; K681-E685 VanDerWaalsContact CE-OE1 3.25Å; K681-E685 WeakPolarHBondContact CE-OE1 3.36Å; K681-E685 WeakPolarHBondContact CG-OE1 3.31Å; K681-E685 IonicContact NZ-OE1 3.73Å; K681-E685 PolarHBondContact NZ-OE1 2.87Å; K681-E685 PolarHBondContact O-N 3.11Å
682V82.6Confident75.6Confident12 Ų1280.1 Ų80.17%0.07340%0.404CS..Hα-helixtrans-58.5-45.8-179.4176.90000111.9G678 R679 R684 E685 L686 V705 S708 I709G678-V682 PolarHBondContact O-N 2.79Å; R679-V682 PolarHBondContact O-N 2.8Å; V682-R684 PolarHBondContact O-N 2.62Å; V682-E685 WeakPolarHBondContact O-CB 3.32Å; V682-E685 PolarHBondContact O-N 3.3Å; V682-L686 HydrophobicContact CG1-CD1 4.03Å; V682-L686 HydrophobicContact CG1-CG 4.39Å; V682-L686 WeakPolarHBondContact O-CG 3.03Å; V682-L686 PolarHBondContact O-N 2.9Å; V682-V705 HydrophobicContact CB-CG1 4.36Å; V682-V705 HydrophobicContact CG1-CG1 4.24Å; V682-S708 WeakPolarHBondContact CG1-OG 3.35Å; V682-I709 HydrophobicContact CB-CG1 4.42Å; V682-I709 HydrophobicContact CG2-CG1 3.87Å
683R83.8Confident73.4Confident94 Ų9487.3 Ų87.336%0.35543%0.429SS..Hα-helixtrans-58.2-32.3174.5-164.5-171.8-62.2143.72.7113R679 K681 V687 L701 E702 V705R679-R683 VanDerWaalsContact O-CB 3.31Å; R679-R683 WeakPolarHBondContact O-CB 3.47Å; R679-R683 PolarHBondContact O-N 2.94Å; K681-R683 PolarHBondContact O-N 3.07Å; R683-V687 WeakPolarHBondContact O-CB 3.3Å; R683-V687 WeakPolarHBondContact O-CG2 3.49Å; R683-V687 PolarHBondContact O-N 2.98Å; R683-L701 HydrophobicContact CG-CD2 4.4Å; R683-E702 IonicContact CZ-OE1 2.83Å; R683-E702 IonicContact CZ-OE2 2.66Å; R683-E702 IonicContact NE-OE1 3.31Å; R683-E702 PolarHBondContact NE-OE1 3.02Å; R683-E702 IonicContact NH2-OE1 2.7Å; R683-E702 PolarHBondContact NH2-OE1 3.49Å; R683-E702 IonicContact NH2-OE2 2.6Å; R683-E702 PolarHBondContact NH2-OE2 2.86Å; R683-V705 HydrophobicContact CB-CG2 3.77Å; R683-V705 HydrophobicContact CG-CG2 4.04Å
684R79.2Confident71.3Confident152 Ų15288.1 Ų88.157%0.57444%0.439SS*.Hα-helixtrans-80.2-23.7175.8-75.7171.7163.7-176-9113.7R680 K681 V682 K688R680-R684 WeakPolarHBondContact O-CD 3.36Å; R680-R684 VanDerWaalsContact O-CG 3.29Å; R680-R684 WeakPolarHBondContact O-CG 3.39Å; K681-R684 CarbonylContact O-C 3.47Å; K681-R684 WeakPolarHBondContact O-CA 3.48Å; K681-R684 WeakPolarHBondContact O-CB 3.29Å; K681-R684 PolarHBondContact O-N 3.45Å; V682-R684 PolarHBondContact O-N 2.62Å; R684-K688 WeakPolarHBondContact O-CB 3.4Å; R684-K688 VanDerWaalsContact O-CG 3.3Å; R684-K688 WeakPolarHBondContact O-CG 3.35Å
685E78.6Confident69.2Low70 Ų7095.9 Ų95.933%0.32747%0.471SS..Hα-helixtrans-73.7-50.7171.6-69.1169.7-170.100109.3K681 V682 V687 K688 G689 K712K681-E685 VanDerWaalsContact CE-OE1 3.25Å; K681-E685 WeakPolarHBondContact CE-OE1 3.36Å; K681-E685 WeakPolarHBondContact CG-OE1 3.31Å; K681-E685 IonicContact NZ-OE1 3.73Å; K681-E685 PolarHBondContact NZ-OE1 2.87Å; K681-E685 PolarHBondContact O-N 3.11Å; V682-E685 WeakPolarHBondContact O-CB 3.32Å; V682-E685 PolarHBondContact O-N 3.3Å; E685-V687 PolarHBondContact O-N 3.44Å; E685-K688 PolarHBondContact O-N 2.81Å; E685-K688 VanDerWaalsContact O-N 3.08Å; E685-G689 PolarHBondContact O-N 2.95Å; E685-K712 IonicContact OE2-NZ 3.6Å; E685-K712 PolarHBondContact OE2-NZ 3.07Å
686L75.6Confident67.4Low46 Ų4697.4 Ų97.424%0.24149%0.487CS..Hα-helixtrans-58.9-47.3179.3-66.2172.2000112.5V682 K688 G689 Q704 V705V682-L686 HydrophobicContact CG1-CD1 4.03Å; V682-L686 HydrophobicContact CG1-CG 4.39Å; V682-L686 WeakPolarHBondContact O-CG 3.03Å; V682-L686 PolarHBondContact O-N 2.9Å; L686-K688 PolarHBondContact O-N 3.27Å; L686-K688 VanDerWaalsContact O-N 3.08Å; L686-G689 PolarHBondContact O-N 3.27Å; L686-Q704 HydrophobicContact CD1-CB 4.2Å; L686-V705 HydrophobicContact CD1-CG2 3.8Å
687V72.6Confident66.2Low88 Ų8898 Ų9853%0.53350%0.496SS..THydrogen-bonded Turntrans-71-0.7178.81750000113.3R683 E685 L701R683-V687 WeakPolarHBondContact O-CB 3.3Å; R683-V687 WeakPolarHBondContact O-CG2 3.49Å; R683-V687 PolarHBondContact O-N 2.98Å; E685-V687 PolarHBondContact O-N 3.44Å; V687-L701 HydrophobicContact CG2-CD1 4.36Å
688K65.2Low65.7Low183 Ų18397.3 Ų97.380%0.79650%0.495SS*.THydrogen-bonded Turntrans-116.10.5176.4-76.7-170.7169-157.10114.5R684 E685 L686R684-K688 WeakPolarHBondContact O-CB 3.4Å; R684-K688 VanDerWaalsContact O-CG 3.3Å; R684-K688 WeakPolarHBondContact O-CG 3.35Å; E685-K688 PolarHBondContact O-N 2.81Å; E685-K688 VanDerWaalsContact O-N 3.08Å; L686-K688 PolarHBondContact O-N 3.27Å; L686-K688 VanDerWaalsContact O-N 3.08Å
689G53.3Low65.8Low36 Ų3696.3 Ų96.337%0.37148%0.479SS..  trans-69.7145.6176.500000112.1E685 L686E685-G689 PolarHBondContact O-N 2.95Å; L686-G689 PolarHBondContact O-N 3.27Å
690P46.1Very low65.4Low128 Ų128100.3 Ų100.383%0.83150%0.499SS*.SBendtrans-71.1-28.9179.528.1-34.2000113.7
691D48.2Very low65.7Low154 Ų15493.4 Ų93.482%0.82448%0.475SS*.SBendtrans-99.9-3.5-169-72.4-58000115.8
692I48.5Very low66.2Low99 Ų9987 Ų8751%0.50845%0.448SS..  trans-132.5101178.5-53.6179.9000110.7
693R44.9Very low66.5Low214 Ų21488.2 Ų88.281%0.80846%0.456SS*.  trans-77.3123.4149.9-62.8-176.8-173.6-1722.8107E695R693-E695 VanDerWaalsContact C-N 3.31Å; R693-E695 PolarHBondContact O-N 3.03Å
694P46.4Very low66.6Low58 Ų5887.3 Ų87.338%0.37746%0.456SS..  trans-72.991.3169.929.4-32.1000108.9
695E44.8Very low67Low184 Ų18480 Ų8086%0.8643%0.429SS*.  trans-74.8-8.8165-61.9-173.2153.200111.7R693R693-E695 VanDerWaalsContact C-N 3.31Å; R693-E695 PolarHBondContact O-N 3.03Å
696G51.3Low67.6Low33 Ų3376.7 Ų76.734%0.3441%0.413SS..SBendtrans-76.1165.6174.400000114.7E700G696-E700 WeakPolarHBondContact CA-OE2 3.5Å
697S62.6Low68.3Low47 Ų4775.2 Ų75.233%0.32941%0.408SS..  trans-65.7165.6179.669.40000113.8L699 E700 L701S697-L699 PolarHBondContact O-N 3.31Å; S697-L699 VanDerWaalsContact O-N 3.12Å; S697-E700 WeakPolarHBondContact CB-OE1 3.49Å; S697-E700 PolarHBondContact N-OE1 2.94Å; S697-E700 PolarHBondContact O-N 3.43Å; S697-E700 PolarHBondContact OG-OE1 3.31Å; S697-L701 PolarHBondContact O-N 3.29Å
698C74.3Confident69.1Low72 Ų7271.8 Ų71.849%0.48639%0.388SS..Hα-helixtrans-55.5-29173.9-175.10000112.9E702 T768C698-E702 PolarHBondContact O-N 2.93Å; C698-T768 HydrophobicContact CB-CG2 4.16Å
699L80.2Confident70.1Confident19 Ų1963.3 Ų63.310%0.09935%0.351CS..Hα-helixtrans-68.8-43.1176-71.3159.2000112.1V595 S697 E702 S703 M765 T768 V769V595-L699 HydrophobicContact CG2-CD2 3.83Å; S697-L699 PolarHBondContact O-N 3.31Å; S697-L699 VanDerWaalsContact O-N 3.12Å; L699-E702 PolarHBondContact O-N 3.39Å; L699-S703 WeakPolarHBondContact O-CB 3.28Å; L699-S703 PolarHBondContact O-N 2.83Å; L699-M765 HydrophobicContact CD2-CE 3.55Å; L699-M765 HydrophobicContact CG-CE 4.11Å; L699-T768 HydrophobicContact CD1-CG2 4.16Å; L699-T768 HydrophobicContact CG-CG2 4Å; L699-V769 HydrophobicContact CD1-CG2 3.77Å; L699-V769 HydrophobicContact CD2-CG2 3.56Å; L699-V769 HydrophobicContact CG-CG2 4.32Å
700E80.5Confident71.8Confident96 Ų9662.3 Ų62.345%0.44934%0.339SS..Hα-helixtrans-65.8-43.4178.3-69.4152.5-104.800111.1G696 S697 E702 S703 Q704G696-E700 WeakPolarHBondContact CA-OE2 3.5Å; S697-E700 WeakPolarHBondContact CB-OE1 3.49Å; S697-E700 PolarHBondContact N-OE1 2.94Å; S697-E700 PolarHBondContact O-N 3.43Å; S697-E700 PolarHBondContact OG-OE1 3.31Å; E700-E702 VanDerWaalsContact C-N 3.35Å; E700-E702 PolarHBondContact O-N 3.29Å; E700-S703 PolarHBondContact O-N 3.13Å; E700-Q704 WeakPolarHBondContact O-CB 3.48Å; E700-Q704 VanDerWaalsContact O-CG 3.31Å; E700-Q704 WeakPolarHBondContact O-CG 3.45Å; E700-Q704 PolarHBondContact O-N 2.96Å
701L83.8Confident73.7Confident35 Ų3562 Ų6218%0.18333%0.33CS..Hα-helixtrans-60.2-42.6176.3-179.362.2000111.8R683 V687 S697 Q704 V705R683-L701 HydrophobicContact CG-CD2 4.4Å; V687-L701 HydrophobicContact CG2-CD1 4.36Å; S697-L701 PolarHBondContact O-N 3.29Å; L701-Q704 PolarHBondContact O-N 3.23Å; L701-V705 VanDerWaalsContact O-CG2 3.3Å; L701-V705 WeakPolarHBondContact O-CG2 3.32Å; L701-V705 PolarHBondContact O-N 2.85Å
702E88.9Confident75.4Confident8 Ų860 Ų604%0.03731%0.314CS..Hα-helixtrans-72.2-30.5176.6-74.4-56.2114.800113.5V595 R679 R683 C698 L699 E700 V705 T706 F761 M765V595-E702 HydrophobicContact CG1-CB 3.61Å; R679-E702 IonicContact CZ-OE2 2.91Å; R679-E702 IonicContact NE-OE2 2.68Å; R679-E702 PolarHBondContact NE-OE2 3.45Å; R679-E702 PolarHBondContact NH2-O 3.09Å; R679-E702 IonicContact NH2-OE2 3.8Å; R679-E702 PolarHBondContact NH2-OE2 3.11Å; R683-E702 IonicContact CZ-OE1 2.83Å; R683-E702 IonicContact CZ-OE2 2.66Å; R683-E702 IonicContact NE-OE1 3.31Å; R683-E702 PolarHBondContact NE-OE1 3.02Å; R683-E702 IonicContact NH2-OE1 2.7Å; R683-E702 PolarHBondContact NH2-OE1 3.49Å; R683-E702 IonicContact NH2-OE2 2.6Å; R683-E702 PolarHBondContact NH2-OE2 2.86Å; C698-E702 PolarHBondContact O-N 2.93Å; L699-E702 PolarHBondContact O-N 3.39Å; E700-E702 VanDerWaalsContact C-N 3.35Å; E700-E702 PolarHBondContact O-N 3.29Å; E702-V705 PolarHBondContact O-N 3.06Å; E702-T706 PolarHBondContact O-N 3.05Å; E702-T706 PolarHBondContact O-OG1 3.38Å; E702-F761 HydrophobicContact CB-CE2 4.5Å; E702-F761 HydrophobicContact CB-CZ 4.16Å; E702-F761 HydrophobicContact CG-CE2 4.11Å; E702-F761 HydrophobicContact CG-CZ 4.24Å; E702-F761 WeakPolarHBondContact OE2-CE2 3.41Å; E702-M765 HydrophobicContact CB-CE 4.24Å; E702-M765 HydrophobicContact CG-CE 4.14Å; E702-M765 HydrophobicContact CG-SD 4.21Å
703S88.6Confident77Confident37 Ų3760.6 Ų60.626%0.25932%0.315SS..Hα-helixtrans-68-39.9171.7-166.40000111.4N594 L699 E700 T706 A707N594-S703 PolarHBondContact O-OG 2.93Å; L699-S703 WeakPolarHBondContact O-CB 3.28Å; L699-S703 PolarHBondContact O-N 2.83Å; E700-S703 PolarHBondContact O-N 3.13Å; S703-T706 WeakPolarHBondContact O-CB 3.38Å; S703-T706 PolarHBondContact O-N 2.86Å; S703-A707 WeakPolarHBondContact O-CB 3.49Å; S703-A707 PolarHBondContact O-N 2.83Å
704Q86.3Confident78.8Confident74 Ų7455.4 Ų55.435%0.34631%0.309SS..Hα-helixtrans-63.5-39.1171.7-70.9173.51100112.6L686 E700 L701 T706 A707 S708L686-Q704 HydrophobicContact CD1-CB 4.2Å; E700-Q704 WeakPolarHBondContact O-CB 3.48Å; E700-Q704 VanDerWaalsContact O-CG 3.31Å; E700-Q704 WeakPolarHBondContact O-CG 3.45Å; E700-Q704 PolarHBondContact O-N 2.96Å; L701-Q704 PolarHBondContact O-N 3.23Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; Q704-A707 PolarHBondContact O-N 2.8Å; Q704-S708 PolarHBondContact O-N 2.81Å
705V87.6Confident80.7Confident0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-62.4-42.3172.61690000110.9R679 V682 R683 L686 L701 E702 I709R679-V705 HydrophobicContact CB-CG1 3.89Å; R679-V705 HydrophobicContact CG-CG1 4.05Å; V682-V705 HydrophobicContact CB-CG1 4.36Å; V682-V705 HydrophobicContact CG1-CG1 4.24Å; R683-V705 HydrophobicContact CB-CG2 3.77Å; R683-V705 HydrophobicContact CG-CG2 4.04Å; L686-V705 HydrophobicContact CD1-CG2 3.8Å; L701-V705 VanDerWaalsContact O-CG2 3.3Å; L701-V705 WeakPolarHBondContact O-CG2 3.32Å; L701-V705 PolarHBondContact O-N 2.85Å; E702-V705 PolarHBondContact O-N 3.06Å; V705-I709 HydrophobicContact CG1-CD1 4.02Å; V705-I709 WeakPolarHBondContact O-CD1 3.23Å; V705-I709 VanDerWaalsContact O-CG1 3.27Å; V705-I709 WeakPolarHBondContact O-CG1 3.12Å; V705-I709 PolarHBondContact O-N 2.84Å
706T91.3Very high82.5Confident0 Ų050.8 Ų50.80%028%0.283CS..Hα-helixtrans-63.7-44.9175.1-62.70000111.7V595 L596 R597 V675 R679 E702 S703 Q704 I709 A710V595-T706 WeakPolarHBondContact O-CB 3.38Å; V595-T706 WeakPolarHBondContact O-CG2 3.32Å; V595-T706 PolarHBondContact O-OG1 2.79Å; L596-T706 WeakPolarHBondContact O-CG2 3.11Å; R597-T706 HydrophobicContact CB-CG2 4.31Å; R597-T706 HydrophobicContact CG-CG2 4.05Å; V675-T706 HydrophobicContact CB-CG2 4.16Å; V675-T706 HydrophobicContact CG1-CG2 3.79Å; R679-T706 PolarHBondContact NH1-OG1 3.24Å; R679-T706 PolarHBondContact NH2-OG1 3.48Å; R679-T706 VanDerWaalsContact NH2-OG1 3.1Å; E702-T706 PolarHBondContact O-N 3.05Å; E702-T706 PolarHBondContact O-OG1 3.38Å; S703-T706 WeakPolarHBondContact O-CB 3.38Å; S703-T706 PolarHBondContact O-N 2.86Å; Q704-T706 VanDerWaalsContact C-N 3.35Å; T706-I709 PolarHBondContact O-N 2.9Å; T706-A710 PolarHBondContact O-N 2.85Å
707A89.8Confident83.8Confident15 Ų1559.2 Ų59.212%0.12431%0.311CS..Hα-helixtrans-57.2-57.3176.200000111R597 S703 Q704 I709 A710 D711R597-A707 VanDerWaalsContact NH2-CB 3.32Å; S703-A707 WeakPolarHBondContact O-CB 3.49Å; S703-A707 PolarHBondContact O-N 2.83Å; Q704-A707 PolarHBondContact O-N 2.8Å; A707-I709 PolarHBondContact O-N 2.91Å; A707-A710 PolarHBondContact O-N 2.87Å; A707-D711 VanDerWaalsContact C-OD2 3.3Å; A707-D711 PolarHBondContact O-N 2.79Å; A707-D711 VanDerWaalsContact O-OD2 3.08Å
708S87.9Confident84.8Confident16 Ų1659.7 Ų59.711%0.11231%0.309CS..Hα-helixtrans-63.9-9.4179175.40000114.3V682 Q704 K712V682-S708 WeakPolarHBondContact CG1-OG 3.35Å; Q704-S708 PolarHBondContact O-N 2.81Å; S708-K712 WeakPolarHBondContact O-CB 3.35Å; S708-K712 VanDerWaalsContact O-CD 3.25Å; S708-K712 WeakPolarHBondContact O-CD 3.34Å; S708-K712 WeakPolarHBondContact O-CG 3.4Å; S708-K712 WeakPolarHBondContact OG-CE 3.48Å; S708-K712 PolarHBondContact OG-NZ 2.84Å
709I87.9Confident85.3Confident5 Ų558.8 Ų58.83%0.02630%0.303CS..Hα-helixtrans-85.4-49.2167.1-68.7161.3000110.1V677 R679 V682 V705 T706 A707 D711 K712 E713V677-I709 WeakPolarHBondContact O-CD1 3.5Å; R679-I709 HydrophobicContact CB-CD1 4.36Å; R679-I709 HydrophobicContact CG-CD1 3.62Å; V682-I709 HydrophobicContact CB-CG1 4.42Å; V682-I709 HydrophobicContact CG2-CG1 3.87Å; V705-I709 HydrophobicContact CG1-CD1 4.02Å; V705-I709 WeakPolarHBondContact O-CD1 3.23Å; V705-I709 VanDerWaalsContact O-CG1 3.27Å; V705-I709 WeakPolarHBondContact O-CG1 3.12Å; V705-I709 PolarHBondContact O-N 2.84Å; T706-I709 PolarHBondContact O-N 2.9Å; A707-I709 PolarHBondContact O-N 2.91Å; I709-D711 PolarHBondContact O-N 2.86Å; I709-K712 PolarHBondContact O-N 3.1Å; I709-K712 VanDerWaalsContact O-N 3.12Å; I709-E713 HydrophobicContact CG2-CB 4.4Å; I709-E713 HydrophobicContact CG2-CG 4.1Å; I709-E713 WeakPolarHBondContact O-CB 3.49Å; I709-E713 PolarHBondContact O-N 2.86Å
710A88Confident85.8Confident15 Ų1558 Ų5812%0.12430%0.298CS..Hα-helixtrans-60.2-33.6176.600000112.8H673 T706 A707 K712H673-A710 HydrophobicContact CB-CB 4.36Å; T706-A710 PolarHBondContact O-N 2.85Å; A707-A710 PolarHBondContact O-N 2.87Å; A710-K712 VanDerWaalsContact C-N 3.32Å; A710-K712 PolarHBondContact O-N 3.48Å
711D86.1Confident86.3Confident121 Ų12157 Ų5765%0.64729%0.294SS*.THydrogen-bonded Turntrans-80.3-10.7179.6-48.8-29000113.1R597 A707 I709R597-D711 IonicContact NH1-OD1 3.52Å; A707-D711 VanDerWaalsContact C-OD2 3.3Å; A707-D711 PolarHBondContact O-N 2.79Å; A707-D711 VanDerWaalsContact O-OD2 3.08Å; I709-D711 PolarHBondContact O-N 2.86Å
712K83.1Confident86.7Confident113 Ų11355.4 Ų55.449%0.49129%0.285SS..THydrogen-bonded Turntrans-116.9-31.5-176.5-73.2-179.2-178155.90114.3E685 S708 I709 A710E685-K712 IonicContact OE2-NZ 3.6Å; E685-K712 PolarHBondContact OE2-NZ 3.07Å; S708-K712 WeakPolarHBondContact O-CB 3.35Å; S708-K712 VanDerWaalsContact O-CD 3.25Å; S708-K712 WeakPolarHBondContact O-CD 3.34Å; S708-K712 WeakPolarHBondContact O-CG 3.4Å; S708-K712 WeakPolarHBondContact OG-CE 3.48Å; S708-K712 PolarHBondContact OG-NZ 2.84Å; I709-K712 PolarHBondContact O-N 3.1Å; I709-K712 VanDerWaalsContact O-N 3.12Å; A710-K712 VanDerWaalsContact C-N 3.32Å; A710-K712 PolarHBondContact O-N 3.48Å
713E83.3Confident86.8Confident110 Ų11058.5 Ų58.551%0.51430%0.299SS..SBendtrans-109139.7-177.3-58.7-69.6167.100109.6I709I709-E713 HydrophobicContact CG2-CB 4.4Å; I709-E713 HydrophobicContact CG2-CG 4.1Å; I709-E713 WeakPolarHBondContact O-CB 3.49Å; I709-E713 PolarHBondContact O-N 2.86Å
714P82.3Confident87Confident106 Ų10656.9 Ų56.969%0.68829%0.287SS*.PPolyproline II helixtrans-67.3158.8-17929.3-36000112.9
715E85.9Confident87.2Confident112 Ų11254.5 Ų54.552%0.52328%0.279SS..PPolyproline II helixtrans-57.7149.8169.6-75.4-166.3148.100112.5K672 H673 K717K672-E715 HydrophobicContact CB-CG 4.45Å; K672-E715 WeakPolarHBondContact O-CA 3.42Å; H673-E715 WeakPolarHBondContact CE1-CG 3.44Å; H673-E715 IonicContact CE1-OE1 2.62Å; H673-E715 PolarHBondContact CE1-OE1 3.44Å; H673-E715 VanDerWaalsContact NE2-CG 3.32Å; H673-E715 WeakPolarHBondContact NE2-CG 3.34Å; E715-K717 PolarHBondContact O-N 3.01Å
716L83.1Confident87.2Confident32 Ų3254.6 Ų54.617%0.16828%0.279CS..PPolyproline II helixtrans-65128.6171.7-63.3168000109.1K672 A674 W676 D718K672-L716 WeakPolarHBondContact O-CB 3.18Å; K672-L716 WeakPolarHBondContact O-CG 3.06Å; K672-L716 PolarHBondContact O-N 2.91Å; A674-L716 HydrophobicContact CB-CD2 4.23Å; W676-L716 HydrophobicContact CH2-CD1 3.89Å; W676-L716 HydrophobicContact CZ3-CD1 4.43Å; L716-D718 WeakPolarHBondContact CB-O 3.26Å; L716-D718 CarbonylContact O-C 3.49Å; L716-D718 PolarHBondContact O-N 3.4Å; L716-D718 VanDerWaalsContact O-N 3.09Å
717K78.4Confident86.9Confident211 Ų21157 Ų5792%0.91729%0.291SS*.SBendtrans-54-32.5-178.8-66.7-176.4177.7-178.60113.6E715E715-K717 PolarHBondContact O-N 3.01Å
718D82.9Confident86.4Confident57 Ų5757.8 Ų57.831%0.30529%0.293SS..SBendtrans-126120.1163.6-71.9-84.1000106.6L716 K747L716-D718 WeakPolarHBondContact CB-O 3.26Å; L716-D718 CarbonylContact O-C 3.49Å; L716-D718 PolarHBondContact O-N 3.4Å; L716-D718 VanDerWaalsContact O-N 3.09Å; D718-K747 HydrophobicContact CB-CB 4.05Å; D718-K747 HydrophobicContact CB-CD 3.88Å; D718-K747 WeakPolarHBondContact OD1-CD 3.45Å; D718-K747 WeakPolarHBondContact OD1-CE 3.46Å; D718-K747 IonicContact OD1-NZ 2.74Å; D718-K747 PolarHBondContact OD1-NZ 3.39Å
719P86.7Confident85.6Confident53 Ų5358.8 Ų58.834%0.34430%0.299SS..  trans-58.6144.5174.6-26.435.8000111.9V670 K672 E721V670-P719 HydrophobicContact CG1-CB 3.72Å; K672-P719 HydrophobicContact CG-CB 4.27Å; K672-P719 HydrophobicContact CG-CG 4.31Å; P719-E721 PolarHBondContact O-N 3.28Å
720L89.6Confident84.1Confident1 Ų160.2 Ų60.21%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-82.4113.4176.9174.465.4000109.7Q671 F722 D746 V750 F751 F754Q671-L720 HydrophobicContact CB-CB 4.36Å; Q671-L720 PolarHBondContact N-O 2.7Å; Q671-L720 PolarHBondContact O-N 3.07Å; L720-F722 HydrophobicContact CG-CD1 4.48Å; L720-D746 HydrophobicContact CD1-CB 3.7Å; L720-V750 HydrophobicContact CB-CG2 4.46Å; L720-V750 HydrophobicContact CD2-CG2 4.31Å; L720-F751 HydrophobicContact CD1-CB 3.84Å; L720-F751 HydrophobicContact CD1-CD2 4.19Å; L720-F754 HydrophobicContact CD2-CB 3.84Å; L720-F754 HydrophobicContact CD2-CD1 3.43Å; L720-F754 VanDerWaalsContact CD2-CD1 3.43Å; L720-F754 HydrophobicContact CD2-CE1 4.21Å; L720-F754 HydrophobicContact CD2-CG 3.88Å
721E91.4Very high82.3Confident77 Ų7761 Ų6136%0.3632%0.324SS..EExtended strand (participates in β ladder)trans-98.7131.4172.4-173.1-160137.900110V668 C669 V670 P719 G744 S745V668-E721 HydrophobicContact CG1-CG 4.09Å; C669-E721 WeakPolarHBondContact O-CA 3.02Å; V670-E721 HydrophobicContact CG2-CB 4.49Å; V670-E721 HydrophobicContact CG2-CG 4.24Å; P719-E721 PolarHBondContact O-N 3.28Å; E721-G744 WeakPolarHBondContact O-CA 3.34Å; E721-G744 PolarHBondContact O-N 3.1Å; E721-S745 PolarHBondContact N-O 2.84Å; E721-S745 PolarHBondContact O-N 3.29Å; E721-S745 VanDerWaalsContact O-N 3.1Å
722F92.2Very high80.5Confident0 Ų059.2 Ų59.20%032%0.318CS..EExtended strand (participates in β ladder)trans-146.2154.8178.265.7-74.8000110.8C669 Q671 L720 V724 V741 E742 F751 F754 L758C669-F722 WeakPolarHBondContact CA-O 3.46Å; C669-F722 HydrophobicContact CB-CD1 3.84Å; C669-F722 HydrophobicContact CB-CD2 3.97Å; C669-F722 HydrophobicContact CB-CE1 3.34Å; C669-F722 HydrophobicContact CB-CE2 3.53Å; C669-F722 HydrophobicContact CB-CG 4.12Å; C669-F722 HydrophobicContact CB-CZ 3.18Å; C669-F722 WeakPolarHBondContact CB-O 3.4Å; C669-F722 PolarHBondContact N-O 2.82Å; C669-F722 VanDerWaalsContact O-CD1 3.22Å; C669-F722 WeakPolarHBondContact O-CD1 3.5Å; C669-F722 PolarHBondContact O-N 2.97Å; Q671-F722 HydrophobicContact CB-CE1 4.23Å; L720-F722 HydrophobicContact CG-CD1 4.48Å; F722-V724 HydrophobicContact CD2-CG2 3.79Å; F722-V724 HydrophobicContact CE2-CG2 3.66Å; F722-V741 HydrophobicContact CD2-CG1 3.89Å; F722-E742 CarbonylContact C-O 3.55Å; F722-E742 WeakPolarHBondContact CA-O 3.49Å; F722-F751 HydrophobicContact CB-CD2 4.17Å; F722-F751 HydrophobicContact CB-CE2 3.83Å; F722-F754 HydrophobicContact CD1-CE1 4.05Å; F722-F754 HydrophobicContact CE1-CD1 4.45Å; F722-F754 AromaticContact CE1-CE1 3.52Å; F722-F754 HydrophobicContact CE1-CE1 3.52Å; F722-F754 HydrophobicContact CE1-CZ 4.27Å; F722-F754 HydrophobicContact CE2-CE1 4.21Å; F722-F754 AromaticContact CZ-CE1 3.59Å; F722-F754 HydrophobicContact CZ-CE1 3.59Å; F722-F754 HydrophobicContact CZ-CZ 4.18Å; F722-L758 HydrophobicContact CE2-CD1 3.99Å; F722-L758 HydrophobicContact CZ-CD1 4.4Å
723K91.4Very high78.6Confident73 Ų7362.9 Ų62.932%0.31734%0.337SS..EExtended strand (participates in β ladder)trans-117.4135.2-176.7179.6-177165.2-136.60109.8P666 W667 C725 V741 E742P666-K723 HydrophobicContact CB-CG 4.23Å; W667-K723 CarbonylContact O-C 3.58Å; W667-K723 WeakPolarHBondContact O-CA 3.46Å; K723-C725 VanDerWaalsContact CE-SG 3.5Å; K723-V741 CarbonylContact O-C 3.17Å; K723-V741 WeakPolarHBondContact O-CA 3.46Å; K723-E742 HydrophobicContact CB-CB 4.39Å; K723-E742 PolarHBondContact N-O 3.26Å; K723-E742 IonicContact NZ-OE2 2.64Å; K723-E742 PolarHBondContact NZ-OE2 2.98Å; K723-E742 PolarHBondContact O-N 3.18Å
724V92Very high77.2Confident4 Ų462.1 Ų62.12%0.02434%0.336CS..EExtended strand (participates in β ladder)trans-115.4115.1-178.8-176.80000109.2P666 W667 F722 P726 L739 V741P666-V724 WeakPolarHBondContact CA-O 3.32Å; W667-V724 HydrophobicContact CE3-CB 3.92Å; W667-V724 HydrophobicContact CE3-CG1 3.78Å; W667-V724 HydrophobicContact CZ3-CG1 3.99Å; W667-V724 PolarHBondContact N-O 3.26Å; W667-V724 PolarHBondContact O-N 3.12Å; F722-V724 HydrophobicContact CD2-CG2 3.79Å; F722-V724 HydrophobicContact CE2-CG2 3.66Å; V724-P726 WeakPolarHBondContact O-CD 3.45Å; V724-L739 HydrophobicContact CG1-CB 4.01Å; V724-L739 HydrophobicContact CG1-CD2 4.26Å; V724-V741 HydrophobicContact CG2-CG1 4.46Å
725C90.7Very high76.6Confident24 Ų2457.2 Ų57.216%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-108.387.6-176.4-69.60000110.4K723 N740K723-C725 VanDerWaalsContact CE-SG 3.5Å; C725-N740 HydrophobicContact CB-CB 4.19Å; C725-N740 PolarHBondContact N-O 2.9Å; C725-N740 PolarHBondContact O-N 2.69Å; C725-N740 PolarHBondContact O-ND2 3.02Å
726P88.2Confident76.3Confident1 Ų157 Ų571%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-65.7136.9175.426-35.2000113F664 W667 V724 L737 L738 L739F664-P726 HydrophobicContact CB-CB 4.45Å; F664-P726 HydrophobicContact CB-CG 3.77Å; W667-P726 HydrophobicContact CE3-CG 4.06Å; W667-P726 HydrophobicContact CH2-CB 4.36Å; W667-P726 HydrophobicContact CH2-CG 3.98Å; W667-P726 HydrophobicContact CZ3-CB 3.96Å; W667-P726 HydrophobicContact CZ3-CG 3.51Å; V724-P726 WeakPolarHBondContact O-CD 3.45Å; P726-L737 HydrophobicContact CB-CD1 4.33Å; P726-L737 HydrophobicContact CB-CD2 4.44Å; P726-L738 CarbonylContact C-O 3.6Å; P726-L738 WeakPolarHBondContact CA-O 3.4Å; P726-L739 HydrophobicContact CB-CD2 3.9Å
727Q84.3Confident76.4Confident52 Ų5255.5 Ų55.524%0.24329%0.291CS..EExtended strand (participates in β ladder)trans-143.7130.2176.9-177.4178.436.300111.1V729 L738Q727-V729 HydrophobicContact CG-CG1 4.13Å; Q727-L738 PolarHBondContact N-O 2.69Å; Q727-L738 PolarHBondContact O-N 2.79Å
728T78.5Confident76.8Confident30 Ų3046.2 Ų46.218%0.18425%0.251CS..EExtended strand (participates in β ladder)trans-81.9132.7174.3-39.50000110.1S581 D663S581-T728 VanDerWaalsContact OG-CG2 3.32Å; S581-T728 WeakPolarHBondContact OG-CG2 3.47Å; S581-T728 PolarHBondContact OG-OG1 2.95Å; D663-T728 WeakPolarHBondContact OD2-CB 3.48Å; D663-T728 PolarHBondContact OD2-N 2.93Å; D663-T728 PolarHBondContact OD2-OG1 3.2Å; D663-T728 VanDerWaalsContact OD2-OG1 3.13Å
729V70.9Confident77.1Confident37 Ų3743.6 Ų43.622%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-138.8150.2172.1-550000112Q727 T735 R736 L738Q727-V729 HydrophobicContact CG-CG1 4.13Å; V729-T735 WeakPolarHBondContact O-CA 3.46Å; V729-R736 HydrophobicContact CG2-CG 3.51Å; V729-R736 PolarHBondContact N-O 2.86Å; V729-R736 PolarHBondContact O-N 3.3Å; V729-L738 HydrophobicContact CG1-CD1 4.02Å; V729-L738 HydrophobicContact CG1-CG 4.44Å; V729-L738 HydrophobicContact CG2-CD1 3.85Å; V729-L738 HydrophobicContact CG2-CD2 4.38Å; V729-L738 HydrophobicContact CG2-CG 3.83Å
730G58Low77.3Confident36 Ų3642.3 Ų42.337%0.37123%0.228SC..  trans115166.8174.600000114.7R577 N734R577-G730 PolarHBondContact NH1-O 3.26Å; G730-N734 WeakPolarHBondContact CA-OD1 3.45Å
731G49.5Very low77.3Confident30 Ų3042.5 Ų42.531%0.30923%0.228SC..  trans-85.7-174.4165.700000111.6E733 N734 T735G731-E733 VanDerWaalsContact C-N 3.35Å; G731-E733 PolarHBondContact O-N 2.99Å; G731-N734 PolarHBondContact N-OD1 3.05Å; G731-N734 CarbonylContact O-C 3.59Å; G731-N734 PolarHBondContact O-N 3.47Å; G731-T735 PolarHBondContact O-N 2.93Å; G731-T735 PolarHBondContact O-OG1 3.41Å
732T48.8Very low77.2Confident84 Ų8443 Ų4352%0.51523%0.231SC..G310 helixtrans-47.9-52.2178.627.20000113.2F576 N734F576-T732 HydrophobicContact CE1-CG2 3.88Å; F576-T732 HydrophobicContact CZ-CG2 4.25Å; T732-N734 PolarHBondContact O-N 2.97Å
733E42.6Very low76.9Confident190 Ų19046.2 Ų46.289%0.88825%0.252SS*.G310 helixtrans-82.7-8.9-172.3-59.6173164.500114.4G731G731-E733 VanDerWaalsContact C-N 3.35Å; G731-E733 PolarHBondContact O-N 2.99Å
734N54.3Low76.6Confident95 Ų9545.1 Ų45.151%0.50826%0.261SS..G310 helixtrans-140.129.4-177.864.323.7000113.5G730 G731 T732G730-N734 WeakPolarHBondContact CA-OD1 3.45Å; G731-N734 PolarHBondContact N-OD1 3.05Å; G731-N734 CarbonylContact O-C 3.59Å; G731-N734 PolarHBondContact O-N 3.47Å; T732-N734 PolarHBondContact O-N 2.97Å
735T70Confident76.2Confident3 Ų346.5 Ų46.52%0.01827%0.271CS..  trans-58.8134.1171.5-70.40000110F556 R577 W580 V729 G731F556-T735 HydrophobicContact CB-CG2 4.23Å; F556-T735 WeakPolarHBondContact CB-O 3.43Å; F556-T735 PolarHBondContact N-O 2.79Å; R577-T735 HydrophobicContact CB-CG2 4.45Å; R577-T735 VanDerWaalsContact CD-OG1 3.3Å; R577-T735 WeakPolarHBondContact CD-OG1 3.3Å; R577-T735 HydrophobicContact CG-CG2 4.18Å; W580-T735 HydrophobicContact CE3-CG2 3.65Å; W580-T735 HydrophobicContact CH2-CG2 4.5Å; W580-T735 HydrophobicContact CZ3-CG2 3.62Å; V729-T735 WeakPolarHBondContact O-CA 3.46Å; G731-T735 PolarHBondContact O-N 2.93Å; G731-T735 PolarHBondContact O-OG1 3.41Å
736R78.7Confident75.9Confident107 Ų10747.4 Ų47.440%0.40427%0.274SS..EExtended strand (participates in β ladder)trans-154.6150.2175.762.1-170.5177.5-127.8-4.5110.6T553 I554 V729 L738T553-R736 HydrophobicContact CG2-CB 4.35Å; T553-R736 HydrophobicContact CG2-CG 4.42Å; I554-R736 CarbonylContact O-C 3.1Å; I554-R736 VanDerWaalsContact O-CA 3.29Å; I554-R736 WeakPolarHBondContact O-CA 3.47Å; I554-R736 WeakPolarHBondContact O-CB 3.27Å; V729-R736 HydrophobicContact CG2-CG 3.51Å; V729-R736 PolarHBondContact N-O 2.86Å; V729-R736 PolarHBondContact O-N 3.3Å; R736-L738 HydrophobicContact CG-CD2 4.37Å
737L85.5Confident75.3Confident0 Ų054.6 Ų54.60%031%0.305CS..EExtended strand (participates in β ladder)trans-93.4130.3169.9-166.574.2000108.6I554 W580 V584 P726 L739I554-L737 HydrophobicContact CB-CB 4.47Å; I554-L737 PolarHBondContact N-O 3.3Å; I554-L737 PolarHBondContact O-N 2.99Å; W580-L737 HydrophobicContact CH2-CB 4.16Å; W580-L737 HydrophobicContact CZ3-CB 4.19Å; V584-L737 HydrophobicContact CB-CD2 4.14Å; V584-L737 HydrophobicContact CG1-CB 4.25Å; V584-L737 HydrophobicContact CG1-CD2 3.48Å; V584-L737 VanDerWaalsContact CG1-CD2 3.48Å; V584-L737 HydrophobicContact CG1-CG 4.5Å; P726-L737 HydrophobicContact CB-CD1 4.33Å; P726-L737 HydrophobicContact CB-CD2 4.44Å; L737-L739 HydrophobicContact CD2-CD2 3.68Å; L737-L739 HydrophobicContact CG-CD2 4.19Å
738L85.9Confident74.8Confident17 Ų1754.7 Ų54.79%0.08932%0.315CS..EExtended strand (participates in β ladder)trans-102.6119.4169.5-60.4-173.8000108.6V551 T553 P726 Q727 V729 R736V551-L738 HydrophobicContact CG1-CB 3.77Å; V551-L738 HydrophobicContact CG1-CD1 4.4Å; V551-L738 HydrophobicContact CG1-CD2 3.95Å; V551-L738 HydrophobicContact CG1-CG 4.23Å; T553-L738 HydrophobicContact CG2-CD2 3.94Å; T553-L738 WeakPolarHBondContact OG1-CD2 3.38Å; P726-L738 CarbonylContact C-O 3.6Å; P726-L738 WeakPolarHBondContact CA-O 3.4Å; Q727-L738 PolarHBondContact N-O 2.69Å; Q727-L738 PolarHBondContact O-N 2.79Å; V729-L738 HydrophobicContact CG1-CD1 4.02Å; V729-L738 HydrophobicContact CG1-CG 4.44Å; V729-L738 HydrophobicContact CG2-CD1 3.85Å; V729-L738 HydrophobicContact CG2-CD2 4.38Å; V729-L738 HydrophobicContact CG2-CG 3.83Å; R736-L738 HydrophobicContact CG-CD2 4.37Å
739L90.7Very high75Confident2 Ų256 Ų561%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-94.898.4167.9-51.7177.1000107V551 I552 I554 V588 W667 V724 P726 L737 V762V551-L739 WeakPolarHBondContact CA-O 3.42Å; I552-L739 HydrophobicContact CB-CB 4.17Å; I552-L739 HydrophobicContact CB-CD1 4.4Å; I552-L739 PolarHBondContact N-O 2.82Å; I552-L739 PolarHBondContact O-N 3.25Å; I554-L739 HydrophobicContact CD1-CD1 4.04Å; V588-L739 HydrophobicContact CG1-CD1 3.96Å; V588-L739 HydrophobicContact CG2-CD1 3.81Å; V588-L739 HydrophobicContact CG2-CD2 4.41Å; W667-L739 HydrophobicContact CZ3-CD2 4.33Å; V724-L739 HydrophobicContact CG1-CB 4.01Å; V724-L739 HydrophobicContact CG1-CD2 4.26Å; P726-L739 HydrophobicContact CB-CD2 3.9Å; L737-L739 HydrophobicContact CD2-CD2 3.68Å; L737-L739 HydrophobicContact CG-CD2 4.19Å; L739-V762 HydrophobicContact CD1-CG1 4.07Å
740N89.3Confident75.6Confident26 Ų2655.8 Ų55.814%0.13933%0.334CS..EExtended strand (participates in β ladder)trans-76.7123.1172.1-47.1-99.8000107R549 L550 V551 C725R549-N740 PolarHBondContact NH2-OD1 3.29Å; R549-N740 VanDerWaalsContact NH2-OD1 3.07Å; L550-N740 WeakPolarHBondContact O-CA 3.45Å; V551-N740 HydrophobicContact CG2-CB 4.24Å; V551-N740 WeakPolarHBondContact CG2-OD1 3.32Å; C725-N740 HydrophobicContact CB-CB 4.19Å; C725-N740 PolarHBondContact N-O 2.9Å; C725-N740 PolarHBondContact O-N 2.69Å; C725-N740 PolarHBondContact O-ND2 3.02Å
741V91.2Very high76.9Confident4 Ų454.1 Ų54.12%0.02432%0.316CS..EExtended strand (participates in β ladder)trans-111.2116.9-174.3-171.50000109.1L550 I552 F722 K723 V724 F751 F755L550-V741 WeakPolarHBondContact CB-O 3.21Å; L550-V741 WeakPolarHBondContact CD1-O 3.5Å; L550-V741 PolarHBondContact O-N 2.96Å; I552-V741 HydrophobicContact CD1-CG2 4.02Å; I552-V741 HydrophobicContact CG1-CG2 4.13Å; F722-V741 HydrophobicContact CD2-CG1 3.89Å; K723-V741 CarbonylContact O-C 3.17Å; K723-V741 WeakPolarHBondContact O-CA 3.46Å; V724-V741 HydrophobicContact CG2-CG1 4.46Å; V741-F751 HydrophobicContact CG1-CE2 3.93Å; V741-F751 HydrophobicContact CG1-CZ 3.94Å; V741-F755 HydrophobicContact CB-CD2 3.88Å; V741-F755 HydrophobicContact CB-CE2 3.97Å; V741-F755 HydrophobicContact CG1-CD2 4.21Å; V741-F755 HydrophobicContact CG2-CD2 4.16Å; V741-F755 HydrophobicContact CG2-CE2 3.98Å
742E87.6Confident78.5Confident88 Ų8857.1 Ų57.141%0.41132%0.322SS..EExtended strand (participates in β ladder)trans-111.4129.2-175.1-59175.7149.600108.9F722 K723F722-E742 CarbonylContact C-O 3.55Å; F722-E742 WeakPolarHBondContact CA-O 3.49Å; K723-E742 HydrophobicContact CB-CB 4.39Å; K723-E742 PolarHBondContact N-O 3.26Å; K723-E742 IonicContact NZ-OE2 2.64Å; K723-E742 PolarHBondContact NZ-OE2 2.98Å; K723-E742 PolarHBondContact O-N 3.18Å
743P87.9Confident80.1Confident68 Ų6858.2 Ų58.244%0.44233%0.325SS..EExtended strand (participates in β ladder)trans-68.9135.1172.827.7-32.4000110.4F751P743-F751 HydrophobicContact CB-CD1 4Å; P743-F751 HydrophobicContact CB-CD2 3.8Å; P743-F751 HydrophobicContact CB-CE1 4.14Å; P743-F751 HydrophobicContact CB-CE2 3.94Å; P743-F751 HydrophobicContact CB-CG 3.83Å; P743-F751 HydrophobicContact CB-CZ 4.11Å; P743-F751 HydrophobicContact CG-CD1 4.29Å; P743-F751 HydrophobicContact CG-CE1 4.15Å; P743-F751 HydrophobicContact CG-CZ 4.31Å
744G83.3Confident82.3Confident50 Ų5049.2 Ų49.252%0.51528%0.282SS..EExtended strand (participates in β ladder)trans-97-69.6172.200000110.8E721E721-G744 WeakPolarHBondContact O-CA 3.34Å; E721-G744 PolarHBondContact O-N 3.1Å
745S83.5Confident84Confident33 Ų3345.1 Ų45.123%0.23126%0.26CS..EExtended strand (participates in β ladder)trans-127.7108.7176.1168.40000110E721E721-S745 PolarHBondContact N-O 2.84Å; E721-S745 PolarHBondContact O-N 3.29Å; E721-S745 VanDerWaalsContact O-N 3.1Å
746D84.9Confident84.6Confident43 Ų4348.1 Ų48.123%0.2327%0.274CS..  trans-127.367173.9-17726.9000111.2L720 A748 G749 V750 F751L720-D746 HydrophobicContact CD1-CB 3.7Å; D746-A748 PolarHBondContact O-N 3.07Å; D746-G749 PolarHBondContact O-N 3.28Å; D746-G749 WeakPolarHBondContact OD1-CA 3.31Å; D746-G749 PolarHBondContact OD1-N 2.78Å; D746-G749 VanDerWaalsContact OD2-CA 3.26Å; D746-G749 WeakPolarHBondContact OD2-CA 3.44Å; D746-V750 PolarHBondContact OD1-N 3.03Å; D746-V750 PolarHBondContact OD2-N 3.11Å; D746-F751 HydrophobicContact CB-CB 3.89Å; D746-F751 PolarHBondContact OD1-N 3.09Å; D746-F751 WeakPolarHBondContact OD2-CB 3.44Å; D746-F751 PolarHBondContact OD2-N 3.34Å
747K76.4Confident85.2Confident151 Ų15144.6 Ų44.666%0.65726%0.262SS*.THydrogen-bonded Turntrans-68.8-21.4175.6-61.5163.5-176.9176.90112.9D718D718-K747 HydrophobicContact CB-CB 4.05Å; D718-K747 HydrophobicContact CB-CD 3.88Å; D718-K747 WeakPolarHBondContact OD1-CD 3.45Å; D718-K747 WeakPolarHBondContact OD1-CE 3.46Å; D718-K747 IonicContact OD1-NZ 2.74Å; D718-K747 PolarHBondContact OD1-NZ 3.39Å
748A74.2Confident85.4Confident55 Ų5544.7 Ų44.746%0.45526%0.262SS..THydrogen-bonded Turntrans-83.7-14.617900000113.2D746 V750D746-A748 PolarHBondContact O-N 3.07Å; A748-V750 VanDerWaalsContact C-N 3.34Å; A748-V750 HydrophobicContact CB-CG1 3.99Å; A748-V750 HydrophobicContact CB-CG2 4.08Å
749G81.6Confident85.5Confident58 Ų5846.2 Ų46.260%0.59827%0.269SS*.SBendtrans73.821.8-178.700000114.1D746D746-G749 PolarHBondContact O-N 3.28Å; D746-G749 WeakPolarHBondContact OD1-CA 3.31Å; D746-G749 PolarHBondContact OD1-N 2.78Å; D746-G749 VanDerWaalsContact OD2-CA 3.26Å; D746-G749 WeakPolarHBondContact OD2-CA 3.44Å
750V83.7Confident85.1Confident32 Ų3248.7 Ų48.719%0.19428%0.284CS..  trans-100.8-5.9-170.9-60.50000114.1W676 L720 D746 A748 H752 D753 F754W676-V750 HydrophobicContact CH2-CB 4.48Å; W676-V750 HydrophobicContact CH2-CG2 4.06Å; W676-V750 HydrophobicContact CZ2-CB 3.9Å; W676-V750 HydrophobicContact CZ2-CG2 3.99Å; L720-V750 HydrophobicContact CB-CG2 4.46Å; L720-V750 HydrophobicContact CD2-CG2 4.31Å; D746-V750 PolarHBondContact OD1-N 3.03Å; D746-V750 PolarHBondContact OD2-N 3.11Å; A748-V750 VanDerWaalsContact C-N 3.34Å; A748-V750 HydrophobicContact CB-CG1 3.99Å; A748-V750 HydrophobicContact CB-CG2 4.08Å; V750-H752 VanDerWaalsContact C-N 3.29Å; V750-H752 PolarHBondContact O-N 3.25Å; V750-D753 PolarHBondContact O-N 2.87Å; V750-F754 PolarHBondContact O-N 3.35Å; V750-F754 VanDerWaalsContact O-N 3.14Å
751F85.9Confident85.1Confident1 Ų148.4 Ų48.40%0.00428%0.281CS..Hα-helixtrans-56.1-40.6-175.7172.6-96.8000113L550 L720 F722 V741 P743 D746 F754 F755L550-F751 HydrophobicContact CD1-CE1 3.56Å; L550-F751 HydrophobicContact CD1-CZ 3.99Å; L550-F751 HydrophobicContact CD2-CE1 3.77Å; L550-F751 HydrophobicContact CD2-CZ 4.39Å; L550-F751 HydrophobicContact CG-CE1 4.24Å; L720-F751 HydrophobicContact CD1-CB 3.84Å; L720-F751 HydrophobicContact CD1-CD2 4.19Å; F722-F751 HydrophobicContact CB-CD2 4.17Å; F722-F751 HydrophobicContact CB-CE2 3.83Å; V741-F751 HydrophobicContact CG1-CE2 3.93Å; V741-F751 HydrophobicContact CG1-CZ 3.94Å; P743-F751 HydrophobicContact CB-CD1 4Å; P743-F751 HydrophobicContact CB-CD2 3.8Å; P743-F751 HydrophobicContact CB-CE1 4.14Å; P743-F751 HydrophobicContact CB-CE2 3.94Å; P743-F751 HydrophobicContact CB-CG 3.83Å; P743-F751 HydrophobicContact CB-CZ 4.11Å; P743-F751 HydrophobicContact CG-CD1 4.29Å; P743-F751 HydrophobicContact CG-CE1 4.15Å; P743-F751 HydrophobicContact CG-CZ 4.31Å; D746-F751 HydrophobicContact CB-CB 3.89Å; D746-F751 PolarHBondContact OD1-N 3.09Å; D746-F751 WeakPolarHBondContact OD2-CB 3.44Å; D746-F751 PolarHBondContact OD2-N 3.34Å; F751-F754 PolarHBondContact O-N 3.49Å; F751-F755 HydrophobicContact CE1-CB 4.22Å; F751-F755 HydrophobicContact CZ-CB 4.3Å; F751-F755 WeakPolarHBondContact O-CB 3.39Å; F751-F755 PolarHBondContact O-N 3.06Å
752H83.7Confident85.1Confident93 Ų9348.3 Ų48.343%0.43128%0.281SS..Hα-helixtrans-69.5-40.3-175.5-67.781.2000112.1V750 F754 F755 H756V750-H752 VanDerWaalsContact C-N 3.29Å; V750-H752 PolarHBondContact O-N 3.25Å; H752-F754 VanDerWaalsContact C-N 3.34Å; H752-F755 PolarHBondContact O-N 2.77Å; H752-H756 WeakPolarHBondContact O-CB 3.18Å; H752-H756 PolarHBondContact O-CD2 3.11Å; H752-H756 VanDerWaalsContact O-CG 3.31Å; H752-H756 PolarHBondContact O-N 3.07Å
753D81.8Confident85.1Confident107 Ų10745.5 Ų45.557%0.57227%0.27SS*.Hα-helixtrans-64.6-39.6173.7-85.5-29000111.6V750 F757V750-D753 PolarHBondContact O-N 2.87Å; D753-F757 PolarHBondContact O-N 2.92Å; D753-F757 VanDerWaalsContact O-N 3.08Å
754F88Confident85Confident0 Ų047.4 Ų47.40%027%0.272CS..Hα-helixtrans-69.2-41175.4-176.6-121.4000112.4Q671 V675 W676 L720 F722 V750 F751 H752 H756 F757 L758Q671-F754 HydrophobicContact CB-CE1 4.46Å; Q671-F754 HydrophobicContact CB-CZ 4.42Å; Q671-F754 HydrophobicContact CG-CE2 4.35Å; Q671-F754 HydrophobicContact CG-CZ 4.09Å; V675-F754 HydrophobicContact CG2-CE2 4.39Å; W676-F754 HydrophobicContact CB-CD2 4.18Å; W676-F754 HydrophobicContact CD2-CB 4.06Å; W676-F754 AromaticContact CD2-CD2 3.62Å; W676-F754 HydrophobicContact CD2-CD2 3.62Å; W676-F754 HydrophobicContact CD2-CG 4.25Å; W676-F754 HydrophobicContact CE3-CB 4.17Å; W676-F754 AromaticContact CE3-CD2 3.17Å; W676-F754 HydrophobicContact CE3-CD2 3.17Å; W676-F754 AromaticContact CE3-CE2 3.73Å; W676-F754 HydrophobicContact CE3-CE2 3.73Å; W676-F754 AromaticContact CE3-CG 3.92Å; W676-F754 HydrophobicContact CE3-CG 3.92Å; W676-F754 HydrophobicContact CG-CD2 4.06Å; W676-F754 HydrophobicContact CH2-CB 4.38Å; W676-F754 HydrophobicContact CZ2-CB 4.33Å; W676-F754 HydrophobicContact CZ3-CB 4.3Å; W676-F754 AromaticContact CZ3-CD2 3.71Å; W676-F754 HydrophobicContact CZ3-CD2 3.71Å; W676-F754 HydrophobicContact CZ3-CE2 4.21Å; W676-F754 HydrophobicContact CZ3-CG 4.08Å; L720-F754 HydrophobicContact CD2-CB 3.84Å; L720-F754 HydrophobicContact CD2-CD1 3.43Å; L720-F754 VanDerWaalsContact CD2-CD1 3.43Å; L720-F754 HydrophobicContact CD2-CE1 4.21Å; L720-F754 HydrophobicContact CD2-CG 3.88Å; F722-F754 HydrophobicContact CD1-CE1 4.05Å; F722-F754 HydrophobicContact CE1-CD1 4.45Å; F722-F754 AromaticContact CE1-CE1 3.52Å; F722-F754 HydrophobicContact CE1-CE1 3.52Å; F722-F754 HydrophobicContact CE1-CZ 4.27Å; F722-F754 HydrophobicContact CE2-CE1 4.21Å; F722-F754 AromaticContact CZ-CE1 3.59Å; F722-F754 HydrophobicContact CZ-CE1 3.59Å; F722-F754 HydrophobicContact CZ-CZ 4.18Å; V750-F754 PolarHBondContact O-N 3.35Å; V750-F754 VanDerWaalsContact O-N 3.14Å; F751-F754 PolarHBondContact O-N 3.49Å; H752-F754 VanDerWaalsContact C-N 3.34Å; F754-H756 PolarHBondContact O-N 2.99Å; F754-F757 AromaticContact CD2-CD1 3.96Å; F754-F757 HydrophobicContact CD2-CD1 3.96Å; F754-F757 AromaticContact CE2-CD1 3.96Å; F754-F757 HydrophobicContact CE2-CD1 3.96Å; F754-F757 HydrophobicContact CE2-CE1 4.28Å; F754-F757 WeakPolarHBondContact O-CA 3.49Å; F754-F757 WeakPolarHBondContact O-CB 3.34Å; F754-F757 PolarHBondContact O-N 3.25Å; F754-F757 VanDerWaalsContact O-N 3.12Å; F754-L758 HydrophobicContact CD1-CD1 3.97Å; F754-L758 HydrophobicContact CD1-CG 4.31Å; F754-L758 HydrophobicContact CD2-CG 4.45Å; F754-L758 HydrophobicContact CE1-CD1 3.58Å; F754-L758 HydrophobicContact CE1-CD2 4.31Å; F754-L758 HydrophobicContact CE1-CG 4.02Å; F754-L758 HydrophobicContact CE2-CD2 4.03Å; F754-L758 HydrophobicContact CE2-CG 4.17Å; F754-L758 HydrophobicContact CZ-CD1 3.95Å; F754-L758 HydrophobicContact CZ-CD2 3.8Å; F754-L758 HydrophobicContact CZ-CG 3.96Å; F754-L758 WeakPolarHBondContact O-CG 3.41Å; F754-L758 PolarHBondContact O-N 2.8Å
755F90Very high85.2Confident9 Ų945.4 Ų45.44%0.03925%0.249CC..Hα-helixtrans-60.6-45.2174173.2-95.2000111.4L550 I552 V741 F751 H752 F757 L758 E759L550-F755 HydrophobicContact CB-CD2 4.29Å; L550-F755 HydrophobicContact CB-CE2 3.94Å; L550-F755 HydrophobicContact CB-CZ 4.15Å; L550-F755 HydrophobicContact CD2-CB 4.41Å; L550-F755 HydrophobicContact CD2-CD1 3.57Å; L550-F755 HydrophobicContact CD2-CD2 4.01Å; L550-F755 HydrophobicContact CD2-CE1 3.82Å; L550-F755 HydrophobicContact CD2-CE2 4.23Å; L550-F755 HydrophobicContact CD2-CG 3.69Å; L550-F755 HydrophobicContact CD2-CZ 4.17Å; I552-F755 HydrophobicContact CG1-CE2 3.91Å; I552-F755 HydrophobicContact CG1-CZ 4.4Å; V741-F755 HydrophobicContact CB-CD2 3.88Å; V741-F755 HydrophobicContact CB-CE2 3.97Å; V741-F755 HydrophobicContact CG1-CD2 4.21Å; V741-F755 HydrophobicContact CG2-CD2 4.16Å; V741-F755 HydrophobicContact CG2-CE2 3.98Å; F751-F755 HydrophobicContact CE1-CB 4.22Å; F751-F755 HydrophobicContact CZ-CB 4.3Å; F751-F755 WeakPolarHBondContact O-CB 3.39Å; F751-F755 PolarHBondContact O-N 3.06Å; H752-F755 PolarHBondContact O-N 2.77Å; F755-F757 PolarHBondContact O-N 3.34Å; F755-L758 PolarHBondContact O-N 2.96Å; F755-E759 HydrophobicContact CE1-CB 4.47Å; F755-E759 WeakPolarHBondContact O-CB 3.4Å; F755-E759 PolarHBondContact O-N 2.68Å
756H83.4Confident85.4Confident66 Ų6643.9 Ų43.931%0.30624%0.238SC..Hα-helixtrans-65.8-24.1175.4-69.8-43.8000113.4H752 F754H752-H756 WeakPolarHBondContact O-CB 3.18Å; H752-H756 PolarHBondContact O-CD2 3.11Å; H752-H756 VanDerWaalsContact O-CG 3.31Å; H752-H756 PolarHBondContact O-N 3.07Å; F754-H756 PolarHBondContact O-N 2.99Å
757F90.3Very high85.3Confident33 Ų3344.4 Ų44.415%0.14524%0.239CC..Hα-helixtrans-72.5-51.4167.2165.2-102.3000111.2L596 W676 D753 F754 F755 E759 V760 F761L596-F757 HydrophobicContact CD1-CE1 3.89Å; L596-F757 HydrophobicContact CD2-CE1 3.66Å; L596-F757 HydrophobicContact CD2-CZ 3.76Å; L596-F757 HydrophobicContact CG-CE1 4.46Å; W676-F757 HydrophobicContact CB-CB 3.65Å; W676-F757 HydrophobicContact CB-CD1 3.55Å; W676-F757 HydrophobicContact CB-CD2 3.87Å; W676-F757 HydrophobicContact CB-CE1 4.13Å; W676-F757 HydrophobicContact CB-CE2 4.43Å; W676-F757 HydrophobicContact CB-CG 3.39Å; W676-F757 HydrophobicContact CG-CB 4.46Å; D753-F757 PolarHBondContact O-N 2.92Å; D753-F757 VanDerWaalsContact O-N 3.08Å; F754-F757 AromaticContact CD2-CD1 3.96Å; F754-F757 HydrophobicContact CD2-CD1 3.96Å; F754-F757 AromaticContact CE2-CD1 3.96Å; F754-F757 HydrophobicContact CE2-CD1 3.96Å; F754-F757 HydrophobicContact CE2-CE1 4.28Å; F754-F757 WeakPolarHBondContact O-CA 3.49Å; F754-F757 WeakPolarHBondContact O-CB 3.34Å; F754-F757 PolarHBondContact O-N 3.25Å; F754-F757 VanDerWaalsContact O-N 3.12Å; F755-F757 PolarHBondContact O-N 3.34Å; F757-E759 VanDerWaalsContact C-N 3.3Å; F757-E759 PolarHBondContact O-N 3.34Å; F757-V760 PolarHBondContact O-N 3.42Å; F757-F761 HydrophobicContact CD1-CB 4.5Å; F757-F761 HydrophobicContact CD2-CB 4.21Å; F757-F761 HydrophobicContact CE1-CB 4.16Å; F757-F761 HydrophobicContact CE1-CD1 4.1Å; F757-F761 HydrophobicContact CE1-CG 4.05Å; F757-F761 HydrophobicContact CE2-CB 3.83Å; F757-F761 AromaticContact CE2-CD2 3.63Å; F757-F761 HydrophobicContact CE2-CD2 3.63Å; F757-F761 HydrophobicContact CE2-CE2 4.3Å; F757-F761 AromaticContact CE2-CG 3.75Å; F757-F761 HydrophobicContact CE2-CG 3.75Å; F757-F761 HydrophobicContact CZ-CB 3.82Å; F757-F761 AromaticContact CZ-CD1 3.77Å; F757-F761 HydrophobicContact CZ-CD1 3.77Å; F757-F761 AromaticContact CZ-CD2 3.58Å; F757-F761 HydrophobicContact CZ-CD2 3.58Å; F757-F761 HydrophobicContact CZ-CE1 4.19Å; F757-F761 HydrophobicContact CZ-CE2 4.02Å; F757-F761 AromaticContact CZ-CG 3.43Å; F757-F761 HydrophobicContact CZ-CG 3.43Å; F757-F761 VanDerWaalsContact CZ-CG 3.43Å; F757-F761 HydrophobicContact CZ-CZ 4.29Å; F757-F761 WeakPolarHBondContact O-CB 3.17Å; F757-F761 PolarHBondContact O-N 3.17Å
758L90.2Very high85.7Confident3 Ų338.5 Ų38.52%0.01622%0.216CC..Hα-helixtrans-58.6-39.2178.8-67.2-179.3000112.5I552 L592 L596 F722 F754 F755 V760 F761 V762I552-L758 HydrophobicContact CD1-CB 3.64Å; L592-L758 HydrophobicContact CD2-CD2 4.06Å; L596-L758 HydrophobicContact CD1-CD2 3.52Å; F722-L758 HydrophobicContact CE2-CD1 3.99Å; F722-L758 HydrophobicContact CZ-CD1 4.4Å; F754-L758 HydrophobicContact CD1-CD1 3.97Å; F754-L758 HydrophobicContact CD1-CG 4.31Å; F754-L758 HydrophobicContact CD2-CG 4.45Å; F754-L758 HydrophobicContact CE1-CD1 3.58Å; F754-L758 HydrophobicContact CE1-CD2 4.31Å; F754-L758 HydrophobicContact CE1-CG 4.02Å; F754-L758 HydrophobicContact CE2-CD2 4.03Å; F754-L758 HydrophobicContact CE2-CG 4.17Å; F754-L758 HydrophobicContact CZ-CD1 3.95Å; F754-L758 HydrophobicContact CZ-CD2 3.8Å; F754-L758 HydrophobicContact CZ-CG 3.96Å; F754-L758 WeakPolarHBondContact O-CG 3.41Å; F754-L758 PolarHBondContact O-N 2.8Å; F755-L758 PolarHBondContact O-N 2.96Å; L758-V760 PolarHBondContact O-N 3.01Å; L758-F761 PolarHBondContact O-N 2.68Å; L758-V762 HydrophobicContact CB-CG2 4.01Å; L758-V762 HydrophobicContact CD2-CG2 3.69Å; L758-V762 HydrophobicContact CG-CG2 4.42Å; L758-V762 WeakPolarHBondContact O-CB 3.3Å; L758-V762 WeakPolarHBondContact O-CG2 3.36Å; L758-V762 PolarHBondContact O-N 3.45Å
759E87.6Confident86.2Confident48 Ų4835.9 Ų35.922%0.22419%0.194CC..Hα-helixtrans-56.2-34.9179.4-173.9-178.9-129.300112.6K506 I552 F755 F757 P763K506-E759 IonicContact NZ-OE1 3.13Å; K506-E759 PolarHBondContact NZ-OE1 2.74Å; K506-E759 IonicContact NZ-OE2 2.8Å; K506-E759 PolarHBondContact NZ-OE2 2.64Å; I552-E759 HydrophobicContact CG1-CB 4.5Å; F755-E759 HydrophobicContact CE1-CB 4.47Å; F755-E759 WeakPolarHBondContact O-CB 3.4Å; F755-E759 PolarHBondContact O-N 2.68Å; F757-E759 VanDerWaalsContact C-N 3.3Å; F757-E759 PolarHBondContact O-N 3.34Å; E759-P763 WeakPolarHBondContact O-CD 3.47Å; E759-P763 WeakPolarHBondContact O-CG 3.5Å
760V82.4Confident86.2Confident54 Ų5434 Ų3433%0.32717%0.17SC..Hα-helixtrans-93.9-37.3178.3-176.50000111.6E498 F757 L758E498-V760 HydrophobicContact CB-CG1 4.47Å; F757-V760 PolarHBondContact O-N 3.42Å; L758-V760 PolarHBondContact O-N 3.01Å
761F89.4Confident85.9Confident20 Ų2037.4 Ų37.49%0.08818%0.184CC..Hα-helixtrans-78.6-46.9-172.2-171.6-97.9000113.1V591 V595 L596 E702 F757 L758 K764 M765V591-F761 HydrophobicContact CG1-CD1 4.19Å; V591-F761 HydrophobicContact CG1-CE1 3.98Å; V595-F761 HydrophobicContact CG1-CE1 4.12Å; V595-F761 HydrophobicContact CG1-CZ 3.85Å; L596-F761 HydrophobicContact CD1-CD1 3.99Å; L596-F761 HydrophobicContact CD1-CE1 4.03Å; L596-F761 HydrophobicContact CD2-CD1 4.05Å; L596-F761 HydrophobicContact CD2-CE1 3.5Å; L596-F761 VanDerWaalsContact CD2-CE1 3.5Å; L596-F761 HydrophobicContact CD2-CZ 3.97Å; L596-F761 HydrophobicContact CG-CD1 4.26Å; L596-F761 HydrophobicContact CG-CE1 3.78Å; E702-F761 HydrophobicContact CB-CE2 4.5Å; E702-F761 HydrophobicContact CB-CZ 4.16Å; E702-F761 HydrophobicContact CG-CE2 4.11Å; E702-F761 HydrophobicContact CG-CZ 4.24Å; E702-F761 WeakPolarHBondContact OE2-CE2 3.41Å; F757-F761 HydrophobicContact CD1-CB 4.5Å; F757-F761 HydrophobicContact CD2-CB 4.21Å; F757-F761 HydrophobicContact CE1-CB 4.16Å; F757-F761 HydrophobicContact CE1-CD1 4.1Å; F757-F761 HydrophobicContact CE1-CG 4.05Å; F757-F761 HydrophobicContact CE2-CB 3.83Å; F757-F761 AromaticContact CE2-CD2 3.63Å; F757-F761 HydrophobicContact CE2-CD2 3.63Å; F757-F761 HydrophobicContact CE2-CE2 4.3Å; F757-F761 AromaticContact CE2-CG 3.75Å; F757-F761 HydrophobicContact CE2-CG 3.75Å; F757-F761 HydrophobicContact CZ-CB 3.82Å; F757-F761 AromaticContact CZ-CD1 3.77Å; F757-F761 HydrophobicContact CZ-CD1 3.77Å; F757-F761 AromaticContact CZ-CD2 3.58Å; F757-F761 HydrophobicContact CZ-CD2 3.58Å; F757-F761 HydrophobicContact CZ-CE1 4.19Å; F757-F761 HydrophobicContact CZ-CE2 4.02Å; F757-F761 AromaticContact CZ-CG 3.43Å; F757-F761 HydrophobicContact CZ-CG 3.43Å; F757-F761 VanDerWaalsContact CZ-CG 3.43Å; F757-F761 HydrophobicContact CZ-CZ 4.29Å; F757-F761 WeakPolarHBondContact O-CB 3.17Å; F757-F761 PolarHBondContact O-N 3.17Å; L758-F761 PolarHBondContact O-N 2.68Å; F761-K764 PolarHBondContact O-N 3.42Å; F761-M765 HydrophobicContact CD1-CG 3.89Å; F761-M765 HydrophobicContact CD2-CG 4.17Å; F761-M765 HydrophobicContact CE1-CB 4.41Å; F761-M765 HydrophobicContact CE1-CG 3.52Å; F761-M765 HydrophobicContact CE2-CG 3.83Å; F761-M765 HydrophobicContact CE2-SD 4.16Å; F761-M765 HydrophobicContact CG-CG 4.2Å; F761-M765 HydrophobicContact CZ-CG 3.51Å; F761-M765 HydrophobicContact CZ-SD 4.17Å; F761-M765 WeakPolarHBondContact O-CG 3.25Å; F761-M765 PolarHBondContact O-N 3.21Å
762V91.2Very high85.2Confident2 Ų240.5 Ų40.51%0.01221%0.206CC..Hα-helixtrans-63.6-48.8-172.5176.40000112.3I552 V588 V591 L592 L739 L758 K764 M765 V766I552-V762 HydrophobicContact CD1-CG2 4.49Å; V588-V762 HydrophobicContact CG1-CG1 4.48Å; V588-V762 HydrophobicContact CG2-CG1 4.16Å; V591-V762 HydrophobicContact CG1-CG2 4.43Å; L592-V762 HydrophobicContact CD2-CG2 4.45Å; L739-V762 HydrophobicContact CD1-CG1 4.07Å; L758-V762 HydrophobicContact CB-CG2 4.01Å; L758-V762 HydrophobicContact CD2-CG2 3.69Å; L758-V762 HydrophobicContact CG-CG2 4.42Å; L758-V762 WeakPolarHBondContact O-CB 3.3Å; L758-V762 WeakPolarHBondContact O-CG2 3.36Å; L758-V762 PolarHBondContact O-N 3.45Å; V762-K764 VanDerWaalsContact C-N 3.28Å; V762-K764 PolarHBondContact O-N 3.46Å; V762-M765 PolarHBondContact O-N 3.03Å; V762-V766 HydrophobicContact CG1-CG2 3.95Å; V762-V766 VanDerWaalsContact O-CB 3.29Å; V762-V766 WeakPolarHBondContact O-CB 3.24Å; V762-V766 WeakPolarHBondContact O-CG2 3.21Å; V762-V766 PolarHBondContact O-N 3.28Å
763P88.3Confident84.1Confident29 Ų2937.8 Ų37.819%0.18820%0.203CC..Hα-helixtrans-58.6-40.8-179.8-24.735.6000112.6I552 I554 E759 E767I552-P763 HydrophobicContact CG2-CG 3.58Å; I554-P763 HydrophobicContact CG1-CB 4.39Å; I554-P763 HydrophobicContact CG1-CG 4.42Å; E759-P763 WeakPolarHBondContact O-CD 3.47Å; E759-P763 WeakPolarHBondContact O-CG 3.5Å; P763-E767 WeakPolarHBondContact O-CB 3.23Å; P763-E767 PolarHBondContact O-N 3.36Å
764K84.9Confident82.7Confident109 Ų10935.6 Ų35.647%0.47420%0.2SC..Hα-helixtrans-67.7-47.6-178.7-169.9172.9-168.7171.10112.3E498 F761 V762 V766 E767 T768E498-K764 IonicContact OE1-NZ 2.71Å; E498-K764 PolarHBondContact OE1-NZ 2.94Å; F761-K764 PolarHBondContact O-N 3.42Å; V762-K764 VanDerWaalsContact C-N 3.28Å; V762-K764 PolarHBondContact O-N 3.46Å; K764-V766 VanDerWaalsContact C-N 3.33Å; K764-E767 WeakPolarHBondContact O-CB 3.33Å; K764-E767 PolarHBondContact O-N 3.06Å; K764-T768 PolarHBondContact O-N 3.47Å; K764-T768 VanDerWaalsContact O-N 3.17Å; K764-T768 PolarHBondContact O-OG1 3.29Å
765M87.3Confident80.7Confident7 Ų736.2 Ų36.23%0.03421%0.206CC..Hα-helixtrans-71.1-30.6178.5-60.1-48.4-59.300112.1V591 L699 E702 F761 V762 T768 V769V591-M765 HydrophobicContact CB-CB 4.4Å; V591-M765 HydrophobicContact CG1-CB 3.87Å; V591-M765 HydrophobicContact CG1-CG 4.47Å; V591-M765 HydrophobicContact CG2-CB 3.52Å; L699-M765 HydrophobicContact CD2-CE 3.55Å; L699-M765 HydrophobicContact CG-CE 4.11Å; E702-M765 HydrophobicContact CB-CE 4.24Å; E702-M765 HydrophobicContact CG-CE 4.14Å; E702-M765 HydrophobicContact CG-SD 4.21Å; F761-M765 HydrophobicContact CD1-CG 3.89Å; F761-M765 HydrophobicContact CD2-CG 4.17Å; F761-M765 HydrophobicContact CE1-CB 4.41Å; F761-M765 HydrophobicContact CE1-CG 3.52Å; F761-M765 HydrophobicContact CE2-CG 3.83Å; F761-M765 HydrophobicContact CE2-SD 4.16Å; F761-M765 HydrophobicContact CG-CG 4.2Å; F761-M765 HydrophobicContact CZ-CG 3.51Å; F761-M765 HydrophobicContact CZ-SD 4.17Å; F761-M765 WeakPolarHBondContact O-CG 3.25Å; F761-M765 PolarHBondContact O-N 3.21Å; V762-M765 PolarHBondContact O-N 3.03Å; M765-T768 PolarHBondContact O-N 2.75Å; M765-V769 WeakPolarHBondContact O-CG2 3.4Å; M765-V769 PolarHBondContact O-N 3.27Å
766V87.9Confident78.4Confident1 Ų140.2 Ų40.21%0.00624%0.236CC..Hα-helixtrans-65.1-42.5172.5165.40000111.4I554 V584 A587 V588 V591 V762 K764 T768 V769 L770I554-V766 HydrophobicContact CD1-CB 4.39Å; I554-V766 HydrophobicContact CD1-CG1 4.17Å; I554-V766 HydrophobicContact CD1-CG2 4.23Å; I554-V766 HydrophobicContact CG2-CG1 4.43Å; V584-V766 HydrophobicContact CG1-CG1 4.15Å; A587-V766 HydrophobicContact CB-CB 4.41Å; A587-V766 HydrophobicContact CB-CG1 3.87Å; A587-V766 HydrophobicContact CB-CG2 4.28Å; V588-V766 HydrophobicContact CB-CG2 4.38Å; V588-V766 HydrophobicContact CG2-CG2 3.62Å; V591-V766 HydrophobicContact CG2-CG2 4.15Å; V762-V766 HydrophobicContact CG1-CG2 3.95Å; V762-V766 VanDerWaalsContact O-CB 3.29Å; V762-V766 WeakPolarHBondContact O-CB 3.24Å; V762-V766 WeakPolarHBondContact O-CG2 3.21Å; V762-V766 PolarHBondContact O-N 3.28Å; K764-V766 VanDerWaalsContact C-N 3.33Å; V766-T768 VanDerWaalsContact C-N 3.31Å; V766-T768 PolarHBondContact O-N 3.43Å; V766-V769 PolarHBondContact O-N 3.41Å; V766-L770 HydrophobicContact CG1-CD1 3.85Å; V766-L770 HydrophobicContact CG1-CG 4.42Å; V766-L770 VanDerWaalsContact O-CG 3.29Å; V766-L770 WeakPolarHBondContact O-CG 3.39Å; V766-L770 PolarHBondContact O-N 3.09Å
767E83.9Confident75.9Confident54 Ų5444.7 Ų44.725%0.25228%0.284SS..Hα-helixtrans-55.5-48.3172.9-160.6153-127.600109.8R557 A560 P763 K764 V769 L770 E771R557-E767 WeakPolarHBondContact CD-OE1 3.12Å; R557-E767 IonicContact CZ-OE1 3.44Å; R557-E767 IonicContact NE-OE1 3.33Å; R557-E767 IonicContact NH1-OE1 2.72Å; R557-E767 PolarHBondContact NH1-OE1 3.02Å; R557-E767 IonicContact NH1-OE2 2.71Å; R557-E767 PolarHBondContact NH1-OE2 3.43Å; A560-E767 HydrophobicContact CB-CG 4.44Å; P763-E767 WeakPolarHBondContact O-CB 3.23Å; P763-E767 PolarHBondContact O-N 3.36Å; K764-E767 WeakPolarHBondContact O-CB 3.33Å; K764-E767 PolarHBondContact O-N 3.06Å; E767-V769 PolarHBondContact O-N 3.3Å; E767-L770 PolarHBondContact O-N 3.29Å; E767-L770 VanDerWaalsContact O-N 3.16Å; E767-E771 VanDerWaalsContact O-CG 3.31Å; E767-E771 WeakPolarHBondContact O-CG 3.29Å; E767-E771 PolarHBondContact O-N 3.16Å
768T83.8Confident75.2Confident27 Ų2745.3 Ų45.317%0.16629%0.291CS..Hα-helixtrans-62.8-36.7174.8-56.10000115.2C698 L699 K764 M765 V766 L770 E771 S772C698-T768 HydrophobicContact CB-CG2 4.16Å; L699-T768 HydrophobicContact CD1-CG2 4.16Å; L699-T768 HydrophobicContact CG-CG2 4Å; K764-T768 PolarHBondContact O-N 3.47Å; K764-T768 VanDerWaalsContact O-N 3.17Å; K764-T768 PolarHBondContact O-OG1 3.29Å; M765-T768 PolarHBondContact O-N 2.75Å; V766-T768 VanDerWaalsContact C-N 3.31Å; V766-T768 PolarHBondContact O-N 3.43Å; T768-L770 VanDerWaalsContact C-N 3.34Å; T768-E771 WeakPolarHBondContact CA-OE2 3.49Å; T768-S772 WeakPolarHBondContact O-CB 3.11Å; T768-S772 PolarHBondContact O-N 3.06Å; T768-S772 PolarHBondContact O-OG 3.03Å
769V84.7Confident74.4Confident0 Ų047.5 Ų47.50%031%0.305CS..Hα-helixtrans-66.7-36.1173.4173.20000111.6A587 V590 V591 L699 M765 V766 E767 S772 G773 A774A587-V769 HydrophobicContact CB-CB 3.91Å; A587-V769 HydrophobicContact CB-CG1 3.66Å; V590-V769 HydrophobicContact CG1-CG1 4.44Å; V590-V769 HydrophobicContact CG1-CG2 4.01Å; V591-V769 HydrophobicContact CG2-CG2 4.05Å; L699-V769 HydrophobicContact CD1-CG2 3.77Å; L699-V769 HydrophobicContact CD2-CG2 3.56Å; L699-V769 HydrophobicContact CG-CG2 4.32Å; M765-V769 WeakPolarHBondContact O-CG2 3.4Å; M765-V769 PolarHBondContact O-N 3.27Å; V766-V769 PolarHBondContact O-N 3.41Å; E767-V769 PolarHBondContact O-N 3.3Å; V769-S772 PolarHBondContact O-OG 3.12Å; V769-G773 PolarHBondContact O-N 3.32Å; V769-A774 HydrophobicContact CG1-CB 4.49Å; V769-A774 PolarHBondContact O-N 3.09Å
770L82.4Confident73.7Confident18 Ų1847.4 Ų47.49%0.09431%0.309CS..Hα-helixtrans-74-35.6177.8-66.5168000112L561 P562 L565 K583 V584 A587 V766 E767 T768L561-L770 HydrophobicContact CD2-CB 4.27Å; L561-L770 HydrophobicContact CD2-CD1 4.37Å; P562-L770 VanDerWaalsContact CD-O 3.23Å; P562-L770 WeakPolarHBondContact CD-O 3.45Å; P562-L770 VanDerWaalsContact CG-O 3.25Å; P562-L770 WeakPolarHBondContact CG-O 3.44Å; L565-L770 HydrophobicContact CD2-CD2 4.37Å; K583-L770 HydrophobicContact CB-CD2 4.12Å; V584-L770 HydrophobicContact CG2-CD1 4.12Å; A587-L770 HydrophobicContact CB-CD2 4.3Å; A587-L770 HydrophobicContact CB-CG 4.24Å; V766-L770 HydrophobicContact CG1-CD1 3.85Å; V766-L770 HydrophobicContact CG1-CG 4.42Å; V766-L770 VanDerWaalsContact O-CG 3.29Å; V766-L770 WeakPolarHBondContact O-CG 3.39Å; V766-L770 PolarHBondContact O-N 3.09Å; E767-L770 PolarHBondContact O-N 3.29Å; E767-L770 VanDerWaalsContact O-N 3.16Å; T768-L770 VanDerWaalsContact C-N 3.34Å
771E77.7Confident73.2Confident104 Ų10447.1 Ų47.149%0.48631%0.308SS..Hα-helixtrans-65.1-45.7172.7-73.5169.5158.900112.3P562 E767 T768 G773P562-E771 VanDerWaalsContact CG-O 3.27Å; P562-E771 WeakPolarHBondContact CG-O 3.46Å; E767-E771 VanDerWaalsContact O-CG 3.31Å; E767-E771 WeakPolarHBondContact O-CG 3.29Å; E767-E771 PolarHBondContact O-N 3.16Å; T768-E771 WeakPolarHBondContact CA-OE2 3.49Å; E771-G773 VanDerWaalsContact C-N 3.31Å; E771-G773 PolarHBondContact O-N 2.94Å
772S69.8Low72.2Confident66 Ų6648.8 Ų48.846%0.46232%0.322SS..SBendtrans-79.4-7-176.856.10000114.7T768 V769 A774T768-S772 WeakPolarHBondContact O-CB 3.11Å; T768-S772 PolarHBondContact O-N 3.06Å; T768-S772 PolarHBondContact O-OG 3.03Å; V769-S772 PolarHBondContact O-OG 3.12Å; S772-A774 PolarHBondContact O-N 3.01Å
773G60.1Low70.9Confident36 Ų3651.9 Ų51.937%0.37134%0.343SS..  trans72.6-2.4-178.700000115.4V769 E771 G775 S776V769-G773 PolarHBondContact O-N 3.32Å; E771-G773 VanDerWaalsContact C-N 3.31Å; E771-G773 PolarHBondContact O-N 2.94Å; G773-G775 PolarHBondContact O-N 3.48Å; G773-S776 WeakPolarHBondContact O-CB 3.48Å; G773-S776 PolarHBondContact O-N 3.23Å; G773-S776 PolarHBondContact O-OG 3.24Å
774A53.4Low69.7Low61 Ų6153.5 Ų53.550%0.50435%0.354SS..THydrogen-bonded Turntrans-62.7-11.8-173.500000115.1V769 S772V769-A774 HydrophobicContact CG1-CB 4.49Å; V769-A774 PolarHBondContact O-N 3.09Å; S772-A774 PolarHBondContact O-N 3.01Å
775G47Very low68.5Low13 Ų1349.2 Ų49.213%0.13435%0.345CS..THydrogen-bonded Turntrans-92.935172.200000114.7G773G773-G775 PolarHBondContact O-N 3.48Å
776S40.3Very low66.9Low94 Ų9452.8 Ų52.866%0.65737%0.371SS*.  trans-113.86.1-178.177.70000115.6G773G773-S776 WeakPolarHBondContact O-CB 3.48Å; G773-S776 PolarHBondContact O-N 3.23Å; G773-S776 PolarHBondContact O-OG 3.24Å
777A32.1Very low65Low159 Ų15957.5 Ų57.5100%1.31440%0.404SS*.  trans-98.7017500000111

Retrieved 777 of 777 residues in 361.8 ms (Link to these results)

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