A0A096NEX3_PAPAN Loading...

Integrin beta-1-binding protein 2

May play a role during maturation and/or organization of muscles cells.

AlphaFold DB (A0A2K5WK23), UniProt , Accession A0A096NEX3, Species PAPAN (Papio anubis, Olive baboon), Gene ITGB1BP2, Length 348 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
1M68.4Low82Confident202 Ų20274.6 Ų74.6100%0.99542%0.42SS*.  0108.20-83.1-175-173.900104.1L3 D15M1-L3 PolarHBondContact O-N 3.28Å; M1-D15 VanDerWaalsContact C-OD1 3.27Å; M1-D15 PolarHBondContact N-OD1 3.23Å; M1-D15 VanDerWaalsContact N-OD1 3.1Å
2S80.5Confident82.1Confident75 Ų7577.8 Ų77.852%0.52443%0.429SS..PPolyproline II helixtrans-74.5124.8-175.357.50000110.4F14 D15S2-F14 CarbonylContact C-O 3.59Å; S2-F14 WeakPolarHBondContact CA-O 3.38Å; S2-D15 PolarHBondContact N-OD1 3.49Å
3L85.3Confident82.4Confident73 Ų7381.8 Ų81.838%0.38244%0.442SS..EExtended strand (participates in β ladder)trans-98.7146.8174.6-61.6-176000110.3M1 H13 F14 P16 A66M1-L3 PolarHBondContact O-N 3.28Å; L3-H13 CarbonylContact O-C 3.06Å; L3-H13 VanDerWaalsContact O-CA 3.27Å; L3-H13 WeakPolarHBondContact O-CA 3.43Å; L3-F14 HydrophobicContact CB-CD1 4.4Å; L3-F14 HydrophobicContact CB-CE1 3.95Å; L3-F14 HydrophobicContact CB-CZ 4.17Å; L3-F14 PolarHBondContact N-O 3.23Å; L3-F14 WeakPolarHBondContact O-CD1 3.4Å; L3-F14 PolarHBondContact O-N 2.81Å; L3-P16 HydrophobicContact CD1-CG 3.49Å; L3-P16 VanDerWaalsContact CD1-CG 3.49Å; L3-P16 HydrophobicContact CG-CG 3.9Å; L3-A66 HydrophobicContact CB-CB 3.96Å; L3-A66 HydrophobicContact CD1-CB 3.64Å; L3-A66 HydrophobicContact CG-CB 4.4Å
4L86.7Confident82.6Confident86 Ų8677.4 Ų77.445%0.4542%0.417SS..EExtended strand (participates in β ladder)trans-79.6127.9174.4-176.368.7000110.4R6 G11L4-R6 PolarHBondContact O-N 2.74Å; L4-G11 VanDerWaalsContact CD1-O 3.29Å; L4-G11 WeakPolarHBondContact CD1-O 3.49Å
5C85.8Confident82.8Confident4 Ų476.7 Ų76.73%0.02741%0.413CS..PPolyproline II helixtrans-70122.2173.6-174.10000110.6N7 C10 Q12 F14 H64 C65C5-N7 VanDerWaalsContact SG-CB 3.58Å; C5-C10 HydrophobicContact CB-CB 4.44Å; C5-C10 VanDerWaalsContact SG-SG 3.61Å; C5-Q12 WeakPolarHBondContact CB-O 3.14Å; C5-Q12 PolarHBondContact N-O 3.43Å; C5-F14 HydrophobicContact CB-CD1 4.03Å; C5-F14 HydrophobicContact CB-CE1 4.23Å; C5-H64 HydrophobicContact CB-CB 4.11Å; C5-H64 PolarHBondContact SG-ND1 3.49Å; C5-C65 CarbonylContact C-O 3.58Å; C5-C65 WeakPolarHBondContact CA-O 3.43Å
6R83.6Confident82.6Confident148 Ų14875.8 Ų75.856%0.55841%0.413SS*.  trans-94.73.3176.7-69.4-172.3170.7153.4-10113.6L4 C65 A66L4-R6 PolarHBondContact O-N 2.74Å; R6-C65 PolarHBondContact N-O 2.98Å; R6-A66 WeakPolarHBondContact CD-O 3.5Å; R6-A66 PolarHBondContact NH1-O 3.02Å
7N85.4Confident82.5Confident15 Ų1580.6 Ų80.68%0.0844%0.438CS..SBendtrans-63.7137.6172.7-67.1-21.8000110.2C5 G9 C10 C24 H26 P63 C65C5-N7 VanDerWaalsContact SG-CB 3.58Å; N7-G9 PolarHBondContact O-N 3.26Å; N7-C10 HydrophobicContact CB-CB 4.32Å; N7-C10 PolarHBondContact O-N 3.19Å; N7-C10 VanDerWaalsContact O-N 3.14Å; N7-C24 PolarHBondContact ND2-SG 3.18Å; N7-H26 HydrophobicContact CB-CB 3.56Å; N7-P63 PolarHBondContact ND2-O 3.27Å; N7-C65 VanDerWaalsContact OD1-CB 3.28Å; N7-C65 WeakPolarHBondContact OD1-CB 3.49Å
8K83.4Confident82.5Confident95 Ų9581.7 Ų81.741%0.41345%0.448SS..THydrogen-bonded Turntrans-63.7118.4-172.5-54.9-169.4-175.8-167.80110.9H26 H27 W40K8-H26 CarbonylContact O-C 3.53Å; K8-H26 WeakPolarHBondContact O-CA 3.27Å; K8-H26 WeakPolarHBondContact O-CB 3.42Å; K8-H27 HydrophobicContact CB-CB 4.39Å; K8-H27 PolarHBondContact O-N 2.99Å; K8-W40 HydrophobicContact CB-CH2 3.73Å; K8-W40 HydrophobicContact CB-CZ3 3.83Å; K8-W40 HydrophobicContact CD-CH2 4.1Å; K8-W40 HydrophobicContact CD-CZ3 3.63Å; K8-W40 HydrophobicContact CG-CH2 4.45Å; K8-W40 HydrophobicContact CG-CZ3 4.35Å
9G79.9Confident82.6Confident51 Ų5180 Ų8053%0.52644%0.438SS..THydrogen-bonded Turntrans86.74.718000000116N7N7-G9 PolarHBondContact O-N 3.26Å
10C84.3Confident82.6Confident22 Ų2281.3 Ų81.315%0.14944%0.444CS..THydrogen-bonded Turntrans-95-65.8174.6177.20000112.4C5 N7 Q12 C24C5-C10 HydrophobicContact CB-CB 4.44Å; C5-C10 VanDerWaalsContact SG-SG 3.61Å; N7-C10 HydrophobicContact CB-CB 4.32Å; N7-C10 PolarHBondContact O-N 3.19Å; N7-C10 VanDerWaalsContact O-N 3.14Å; C10-Q12 PolarHBondContact O-N 3.43Å; C10-Q12 VanDerWaalsContact O-N 3.08Å; C10-C24 WeakPolarHBondContact CB-SG 3.19Å; C10-C24 PolarHBondContact SG-SG 3.49Å
11G78.2Confident82.4Confident50 Ų5082.1 Ų82.152%0.51545%0.453SS..  trans62.212.717700000116.2L4L4-G11 VanDerWaalsContact CD1-O 3.29Å; L4-G11 WeakPolarHBondContact CD1-O 3.49Å
12Q83.9Confident83.1Confident113 Ų11376.8 Ų76.853%0.52843%0.429SS..  trans-87.8153.6-179-68.3-179.5-17.300112.4C5 C10C5-Q12 WeakPolarHBondContact CB-O 3.14Å; C5-Q12 PolarHBondContact N-O 3.43Å; C10-Q12 PolarHBondContact O-N 3.43Å; C10-Q12 VanDerWaalsContact O-N 3.08Å
13H86.1Confident83.3Confident130 Ų13075.3 Ų75.360%0.60242%0.418SS*.EExtended strand (participates in β ladder)trans-84.4136.4170-69.188.2000110.1L3L3-H13 CarbonylContact O-C 3.06Å; L3-H13 VanDerWaalsContact O-CA 3.27Å; L3-H13 WeakPolarHBondContact O-CA 3.43Å
14F85.5Confident83.3Confident19 Ų1971.8 Ų71.88%0.08340%0.4CS..EExtended strand (participates in β ladder)trans-137.6150.3-179.474.4-80.2000111S2 L3 C5 P16 N19 H64 A66S2-F14 CarbonylContact C-O 3.59Å; S2-F14 WeakPolarHBondContact CA-O 3.38Å; L3-F14 HydrophobicContact CB-CD1 4.4Å; L3-F14 HydrophobicContact CB-CE1 3.95Å; L3-F14 HydrophobicContact CB-CZ 4.17Å; L3-F14 PolarHBondContact N-O 3.23Å; L3-F14 WeakPolarHBondContact O-CD1 3.4Å; L3-F14 PolarHBondContact O-N 2.81Å; C5-F14 HydrophobicContact CB-CD1 4.03Å; C5-F14 HydrophobicContact CB-CE1 4.23Å; F14-P16 HydrophobicContact CE2-CG 4.38Å; F14-N19 HydrophobicContact CD2-CB 4.2Å; F14-N19 HydrophobicContact CE2-CB 4.42Å; F14-H64 HydrophobicContact CB-CB 3.96Å; F14-H64 HydrophobicContact CD1-CB 3.28Å; F14-H64 AromaticContact CD1-CG 3.8Å; F14-H64 HydrophobicContact CD2-CB 3.55Å; F14-H64 HydrophobicContact CE1-CB 3.5Å; F14-H64 VanDerWaalsContact CE1-CB 3.5Å; F14-H64 HydrophobicContact CE2-CB 3.74Å; F14-H64 HydrophobicContact CG-CB 3.3Å; F14-H64 AromaticContact CG-CD2 3.93Å; F14-H64 AromaticContact CG-CG 3.63Å; F14-H64 HydrophobicContact CZ-CB 3.71Å; F14-A66 HydrophobicContact CE1-CB 4.19Å; F14-A66 HydrophobicContact CZ-CB 3.96Å
15D84.6Confident83.4Confident68 Ų6870.6 Ų70.636%0.36440%0.398SS..  trans-90.3126.4169.6-79.1-64.5000109.7M1 S2 N17 T18M1-D15 VanDerWaalsContact C-OD1 3.27Å; M1-D15 PolarHBondContact N-OD1 3.23Å; M1-D15 VanDerWaalsContact N-OD1 3.1Å; S2-D15 PolarHBondContact N-OD1 3.49Å; D15-N17 PolarHBondContact O-N 2.87Å; D15-N17 VanDerWaalsContact O-N 3.09Å; D15-T18 PolarHBondContact O-N 3.1Å; D15-T18 VanDerWaalsContact O-N 3.08Å; D15-T18 PolarHBondContact O-OG1 3.38Å
16P80.6Confident83.5Confident62 Ų6271.9 Ų71.940%0.40340%0.404SS..G310 helixtrans-57.6-27-179.2-28.636.7000114.4L3 F14 T18L3-P16 HydrophobicContact CD1-CG 3.49Å; L3-P16 VanDerWaalsContact CD1-CG 3.49Å; L3-P16 HydrophobicContact CG-CG 3.9Å; F14-P16 HydrophobicContact CE2-CG 4.38Å; P16-T18 VanDerWaalsContact C-N 3.3Å; P16-T18 PolarHBondContact O-N 3.38Å
17N80.9Confident83.7Confident157 Ų15765 Ų6584%0.8438%0.378SS*.G310 helixtrans-78.7-12-177.7-62-30.8000113.4D15D15-N17 PolarHBondContact O-N 2.87Å; D15-N17 VanDerWaalsContact O-N 3.09Å
18T81.9Confident83.7Confident101 Ų10168.1 Ų68.162%0.6240%0.399SS*.G310 helixtrans-126.222.9-178.259.10000112.2D15 P16 L20D15-T18 PolarHBondContact O-N 3.1Å; D15-T18 VanDerWaalsContact O-N 3.08Å; D15-T18 PolarHBondContact O-OG1 3.38Å; P16-T18 VanDerWaalsContact C-N 3.3Å; P16-T18 PolarHBondContact O-N 3.38Å; T18-L20 PolarHBondContact O-N 3.1Å
19N84.1Confident83.7Confident49 Ų4964.1 Ų64.126%0.26238%0.384SS..  trans-82.196.1-175.4-17018.5000111.2F14 P63 H64F14-N19 HydrophobicContact CD2-CB 4.2Å; F14-N19 HydrophobicContact CE2-CB 4.42Å; N19-P63 WeakPolarHBondContact OD1-CA 3.3Å; N19-H64 PolarHBondContact ND2-N 2.68Å; N19-H64 PolarHBondContact ND2-O 3.1Å; N19-H64 PolarHBondContact OD1-N 2.78Å
20L83.3Confident83.9Confident106 Ų10664.9 Ų64.956%0.55538%0.379SS*.  trans-80.1154.4178.1-60.9163.1000110.6T18 D22 S23 P63T18-L20 PolarHBondContact O-N 3.1Å; L20-D22 WeakPolarHBondContact CB-OD1 3.42Å; L20-D22 PolarHBondContact O-N 3.05Å; L20-S23 WeakPolarHBondContact CB-OG 3.42Å; L20-S23 PolarHBondContact N-OG 2.74Å; L20-S23 PolarHBondContact O-N 2.88Å; L20-S23 PolarHBondContact O-OG 3.16Å; L20-P63 WeakPolarHBondContact O-CA 3.46Å
21P77.9Confident84Confident99 Ų9966.1 Ų66.164%0.64339%0.387SS*.THydrogen-bonded Turntrans-65.6-7-176.926.7-36000114.8G62P21-G62 CarbonylContact O-C 3.6Å; P21-G62 WeakPolarHBondContact O-CA 3.19Å
22D82.9Confident84.2Confident89 Ų8966.4 Ų66.448%0.47638%0.376SS..THydrogen-bonded Turntrans-119.47.5-17964.5-22000113.2L20 C24 M61L20-D22 WeakPolarHBondContact CB-OD1 3.42Å; L20-D22 PolarHBondContact O-N 3.05Å; D22-C24 PolarHBondContact O-N 3.08Å; D22-M61 HydrophobicContact CB-CE 4.08Å; D22-M61 WeakPolarHBondContact O-CE 3.43Å
23S84.3Confident84.4Confident44 Ų4466.9 Ų66.931%0.30838%0.376SS..SBendtrans-74.6-22-172.8-64.20000115.1L20 G62 H64L20-S23 WeakPolarHBondContact CB-OG 3.42Å; L20-S23 PolarHBondContact N-OG 2.74Å; L20-S23 PolarHBondContact O-N 2.88Å; L20-S23 PolarHBondContact O-OG 3.16Å; S23-G62 PolarHBondContact N-O 3.47Å; S23-H64 WeakPolarHBondContact CB-NE2 3.44Å; S23-H64 PolarHBondContact O-NE2 3.08Å
24C86.4Confident84.1Confident0 Ų066.5 Ų66.50%038%0.375CS..EExtended strand (participates in β ladder)trans-116.6121.4-174.3176.70000112.1N7 C10 D22 M61 G62 H64N7-C24 PolarHBondContact ND2-SG 3.18Å; C10-C24 WeakPolarHBondContact CB-SG 3.19Å; C10-C24 PolarHBondContact SG-SG 3.49Å; D22-C24 PolarHBondContact O-N 3.08Å; C24-M61 CarbonylContact O-C 3.54Å; C24-M61 VanDerWaalsContact O-CA 3.28Å; C24-M61 WeakPolarHBondContact O-CA 3.23Å; C24-G62 WeakPolarHBondContact CA-O 3.49Å; C24-G62 WeakPolarHBondContact CB-O 3.31Å; C24-G62 PolarHBondContact N-O 3.42Å; C24-G62 PolarHBondContact O-N 3.26Å; C24-H64 HydrophobicContact CB-CB 4.44Å
25C87.8Confident83.9Confident61 Ų6171.4 Ų71.441%0.41240%0.402SS..EExtended strand (participates in β ladder)trans-91.8113.5166.6-61.10000110.5T60C25-T60 CarbonylContact C-O 3.58Å; C25-T60 WeakPolarHBondContact CA-O 3.3Å
26H87.6Confident83.5Confident31 Ų3172 Ų7214%0.14442%0.415CS..EExtended strand (participates in β ladder)trans-137.7169.4-177.476.277.8000113.5N7 K8 G58 C59 T60N7-H26 HydrophobicContact CB-CB 3.56Å; K8-H26 CarbonylContact O-C 3.53Å; K8-H26 WeakPolarHBondContact O-CA 3.27Å; K8-H26 WeakPolarHBondContact O-CB 3.42Å; H26-G58 VanDerWaalsContact C-CA 3.42Å; H26-G58 CarbonylContact O-C 3.51Å; H26-G58 WeakPolarHBondContact O-CA 3.29Å; H26-C59 PolarHBondContact O-N 3.32Å; H26-C59 VanDerWaalsContact O-N 3.08Å; H26-T60 PolarHBondContact N-O 3.28Å; H26-T60 PolarHBondContact O-N 2.9Å
27H88.5Confident83.5Confident3 Ų371.7 Ų71.71%0.01441%0.411CS..  trans-95.6119.3170.6-69-62.7000110.2K8 G29 W40 C42 C43 I56 K57K8-H27 HydrophobicContact CB-CB 4.39Å; K8-H27 PolarHBondContact O-N 2.99Å; H27-G29 VanDerWaalsContact C-N 3.28Å; H27-W40 HydrophobicContact CB-CD2 3.67Å; H27-W40 HydrophobicContact CB-CE3 3.53Å; H27-W40 HydrophobicContact CB-CG 4.12Å; H27-W40 HydrophobicContact CB-CZ3 3.98Å; H27-W40 AromaticContact CD2-CD1 3.61Å; H27-W40 AromaticContact CD2-CD2 3.55Å; H27-W40 AromaticContact CD2-CE2 3.35Å; H27-W40 AromaticContact CD2-CG 3.73Å; H27-W40 AromaticContact CD2-CZ2 3.91Å; H27-W40 AromaticContact CD2-NE1 3.38Å; H27-W40 PolarHBondContact CD2-NE1 3.41Å; H27-W40 AromaticContact CE1-CD1 3.7Å; H27-W40 AromaticContact CE1-CG 3.94Å; H27-W40 AromaticContact CG-CD1 3.9Å; H27-W40 AromaticContact CG-CD2 3.51Å; H27-W40 AromaticContact CG-CE2 3.84Å; H27-W40 AromaticContact CG-CE3 3.94Å; H27-W40 AromaticContact CG-CG 3.59Å; H27-W40 AromaticContact ND1-CD1 4Å; H27-W40 AromaticContact ND1-CG 3.77Å; H27-W40 AromaticContact NE2-CD1 3.46Å; H27-W40 AromaticContact NE2-CE2 3.94Å; H27-W40 AromaticContact NE2-CG 3.93Å; H27-W40 AromaticContact NE2-NE1 3.47Å; H27-W40 PolarHBondContact NE2-NE1 2.94Å; H27-C42 PolarHBondContact ND1-SG 3.26Å; H27-C43 PolarHBondContact CE1-SG 2.6Å; H27-C43 PolarHBondContact ND1-SG 3.34Å; H27-C43 VanDerWaalsContact ND1-SG 3.36Å; H27-I56 PolarHBondContact NE2-O 3.46Å; H27-K57 PolarHBondContact CE1-O 2.86Å; H27-K57 PolarHBondContact NE2-O 2.86Å; H27-K57 VanDerWaalsContact NE2-O 3.13Å
28P85.8Confident83.8Confident81 Ų8166.5 Ų66.553%0.52638%0.38SS..  trans-76.6-20.3171.929.9-34.7000112C42 T60P28-C42 HydrophobicContact CG-CB 3.87Å; P28-T60 VanDerWaalsContact CD-OG1 3.31Å; P28-T60 WeakPolarHBondContact CD-OG1 3.38Å; P28-T60 WeakPolarHBondContact CG-OG1 3.42Å
29G83.5Confident84.2Confident10 Ų1061.7 Ų61.710%0.10335%0.351CS..SBendtrans-79.2166.6-179.200000114.1H27 W40 S41 C42H27-G29 VanDerWaalsContact C-N 3.28Å; G29-W40 VanDerWaalsContact O-CE3 3.31Å; G29-W40 WeakPolarHBondContact O-CZ3 3.38Å; G29-S41 VanDerWaalsContact CA-OG 3.27Å; G29-S41 WeakPolarHBondContact CA-OG 3.42Å; G29-C42 PolarHBondContact N-SG 3.36Å; G29-C42 VanDerWaalsContact N-SG 3.36Å
30V83.4Confident84.4Confident68 Ų6860.4 Ų60.441%0.41234%0.343SS..PPolyproline II helixtrans-83.9149.6168.3-63.70000111.2S41V30-S41 PolarHBondContact N-OG 3.49Å; V30-S41 PolarHBondContact O-N 3.46Å; V30-S41 PolarHBondContact O-OG 3.33Å
31P85.6Confident84.5Confident48 Ų4858.5 Ų58.531%0.31234%0.338SS..EExtended strand (participates in β ladder)trans-54.7136.5165.5-2535.7000111.1F33 G39 W40 F53P31-F33 HydrophobicContact CB-CE2 3.69Å; P31-F33 HydrophobicContact CB-CZ 3.72Å; P31-G39 CarbonylContact C-O 3.57Å; P31-G39 WeakPolarHBondContact CA-O 3.39Å; P31-W40 HydrophobicContact CG-CE3 4.17Å; P31-W40 HydrophobicContact CG-CH2 3.9Å; P31-W40 HydrophobicContact CG-CZ3 3.66Å; P31-F53 HydrophobicContact CB-CZ 3.86Å; P31-F53 HydrophobicContact CG-CZ 4.26Å
32I82.5Confident84.9Confident56 Ų5656 Ų5629%0.28732%0.322SS..EExtended strand (participates in β ladder)trans-120.5133.2174.556.2168000109G39I32-G39 VanDerWaalsContact CG1-O 3.31Å; I32-G39 WeakPolarHBondContact CG1-O 3.43Å; I32-G39 PolarHBondContact N-O 2.82Å; I32-G39 PolarHBondContact O-N 2.98Å
33F88.2Confident85Confident122 Ų12252.9 Ų52.954%0.53531%0.308SS..EExtended strand (participates in β ladder)trans-130105.6178.9-53.7-69.5000108P31 L37 K38 F53P31-F33 HydrophobicContact CB-CE2 3.69Å; P31-F33 HydrophobicContact CB-CZ 3.72Å; F33-L37 WeakPolarHBondContact CA-O 3.43Å; F33-K38 HydrophobicContact CD1-CB 3.81Å; F33-K38 HydrophobicContact CD1-CD 4.25Å; F33-K38 HydrophobicContact CD1-CG 3.77Å; F33-K38 HydrophobicContact CE1-CB 3.94Å; F33-K38 HydrophobicContact CE1-CD 4.23Å; F33-K38 HydrophobicContact CE1-CG 4.13Å; F33-F53 HydrophobicContact CE1-CD1 4.25Å; F33-F53 AromaticContact CE1-CE1 3.96Å; F33-F53 HydrophobicContact CE1-CE1 3.96Å; F33-F53 HydrophobicContact CE1-CZ 4.15Å; F33-F53 AromaticContact CZ-CE1 3.95Å; F33-F53 HydrophobicContact CZ-CE1 3.95Å; F33-F53 HydrophobicContact CZ-CZ 4.09Å
34H80.4Confident84.9Confident123 Ų12362.4 Ų62.457%0.56934%0.337SS*.EExtended strand (participates in β ladder)trans-147.6139.9-178.9-163-82000109.9A36 L37H34-A36 PolarHBondContact O-N 3.3Å; H34-L37 PolarHBondContact N-O 3.28Å; H34-L37 WeakPolarHBondContact O-CA 3.34Å; H34-L37 WeakPolarHBondContact O-CB 3.28Å; H34-L37 PolarHBondContact O-N 3.46Å; H34-L37 VanDerWaalsContact O-O 3.13Å
35D82.1Confident84.7Confident122 Ų12267.5 Ų67.565%0.65236%0.359SS*.THydrogen-bonded Turntrans50.147.1-179.9-56.3-34.5000114.7L37D35-L37 PolarHBondContact O-N 2.92Å
36A76.7Confident84.7Confident79 Ų7970.9 Ų70.965%0.65336%0.363SS*.THydrogen-bonded Turntrans59.82.6-174.800000115.5H34H34-A36 PolarHBondContact O-N 3.3Å
37L80.3Confident84.6Confident57 Ų5769.6 Ų69.630%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-96.1133.8176.8-69.4171.3000110.8F33 H34 D35 R46 T47 V48F33-L37 WeakPolarHBondContact CA-O 3.43Å; H34-L37 PolarHBondContact N-O 3.28Å; H34-L37 WeakPolarHBondContact O-CA 3.34Å; H34-L37 WeakPolarHBondContact O-CB 3.28Å; H34-L37 PolarHBondContact O-N 3.46Å; H34-L37 VanDerWaalsContact O-O 3.13Å; D35-L37 PolarHBondContact O-N 2.92Å; L37-R46 HydrophobicContact CB-CB 4.08Å; L37-R46 HydrophobicContact CD1-CB 4.44Å; L37-R46 HydrophobicContact CD2-CB 4.17Å; L37-R46 HydrophobicContact CG-CB 4.48Å; L37-T47 CarbonylContact C-O 3.48Å; L37-V48 HydrophobicContact CD2-CG1 3.66Å
38K86.7Confident84.4Confident47 Ų4774.3 Ų74.320%0.20439%0.386CS..EExtended strand (participates in β ladder)trans-114.6134.7-177.7-47.3-174.1175.460.80108.5F33 R46 T47 V48 F50 F53F33-K38 HydrophobicContact CD1-CB 3.81Å; F33-K38 HydrophobicContact CD1-CD 4.25Å; F33-K38 HydrophobicContact CD1-CG 3.77Å; F33-K38 HydrophobicContact CE1-CB 3.94Å; F33-K38 HydrophobicContact CE1-CD 4.23Å; F33-K38 HydrophobicContact CE1-CG 4.13Å; K38-R46 CarbonylContact O-C 3.53Å; K38-R46 VanDerWaalsContact O-CA 3.3Å; K38-R46 WeakPolarHBondContact O-CA 3.48Å; K38-T47 PolarHBondContact N-O 3.07Å; K38-T47 PolarHBondContact O-N 3.47Å; K38-V48 PolarHBondContact NZ-O 2.96Å; K38-F50 HydrophobicContact CD-CB 4.24Å; K38-F50 HydrophobicContact CD-CD2 3.77Å; K38-F50 HydrophobicContact CD-CG 4.49Å; K38-F53 HydrophobicContact CB-CB 3.86Å; K38-F53 HydrophobicContact CB-CD2 3.94Å; K38-F53 HydrophobicContact CB-CG 3.84Å; K38-F53 HydrophobicContact CD-CB 4.39Å
39G89.4Confident84.4Confident1 Ų174.3 Ų74.31%0.0138%0.382CS..EExtended strand (participates in β ladder)trans-166.7-178.4-178.400000112.4P31 I32 F53P31-G39 CarbonylContact C-O 3.57Å; P31-G39 WeakPolarHBondContact CA-O 3.39Å; I32-G39 VanDerWaalsContact CG1-O 3.31Å; I32-G39 WeakPolarHBondContact CG1-O 3.43Å; I32-G39 PolarHBondContact N-O 2.82Å; I32-G39 PolarHBondContact O-N 2.98Å; G39-F53 WeakPolarHBondContact O-CE2 3.41Å
40W88.9Confident84.4Confident22 Ų2279 Ų798%0.08340%0.399CS..EExtended strand (participates in β ladder)trans-105.7137.1172.8-65.390000108.7K8 H27 G29 P31 C42 C43 F53K8-W40 HydrophobicContact CB-CH2 3.73Å; K8-W40 HydrophobicContact CB-CZ3 3.83Å; K8-W40 HydrophobicContact CD-CH2 4.1Å; K8-W40 HydrophobicContact CD-CZ3 3.63Å; K8-W40 HydrophobicContact CG-CH2 4.45Å; K8-W40 HydrophobicContact CG-CZ3 4.35Å; H27-W40 HydrophobicContact CB-CD2 3.67Å; H27-W40 HydrophobicContact CB-CE3 3.53Å; H27-W40 HydrophobicContact CB-CG 4.12Å; H27-W40 HydrophobicContact CB-CZ3 3.98Å; H27-W40 AromaticContact CD2-CD1 3.61Å; H27-W40 AromaticContact CD2-CD2 3.55Å; H27-W40 AromaticContact CD2-CE2 3.35Å; H27-W40 AromaticContact CD2-CG 3.73Å; H27-W40 AromaticContact CD2-CZ2 3.91Å; H27-W40 AromaticContact CD2-NE1 3.38Å; H27-W40 PolarHBondContact CD2-NE1 3.41Å; H27-W40 AromaticContact CE1-CD1 3.7Å; H27-W40 AromaticContact CE1-CG 3.94Å; H27-W40 AromaticContact CG-CD1 3.9Å; H27-W40 AromaticContact CG-CD2 3.51Å; H27-W40 AromaticContact CG-CE2 3.84Å; H27-W40 AromaticContact CG-CE3 3.94Å; H27-W40 AromaticContact CG-CG 3.59Å; H27-W40 AromaticContact ND1-CD1 4Å; H27-W40 AromaticContact ND1-CG 3.77Å; H27-W40 AromaticContact NE2-CD1 3.46Å; H27-W40 AromaticContact NE2-CE2 3.94Å; H27-W40 AromaticContact NE2-CG 3.93Å; H27-W40 AromaticContact NE2-NE1 3.47Å; H27-W40 PolarHBondContact NE2-NE1 2.94Å; G29-W40 VanDerWaalsContact O-CE3 3.31Å; G29-W40 WeakPolarHBondContact O-CZ3 3.38Å; P31-W40 HydrophobicContact CG-CE3 4.17Å; P31-W40 HydrophobicContact CG-CH2 3.9Å; P31-W40 HydrophobicContact CG-CZ3 3.66Å; W40-C42 PolarHBondContact O-N 3.43Å; W40-C42 VanDerWaalsContact O-N 3.11Å; W40-C43 HydrophobicContact CB-CB 4.06Å; W40-C43 CarbonylContact O-C 3.6Å; W40-C43 WeakPolarHBondContact O-CA 3.35Å; W40-C43 PolarHBondContact O-N 3.09Å; W40-F53 AromaticContact CD1-CE2 3.82Å; W40-F53 HydrophobicContact CD2-CE2 4.33Å; W40-F53 AromaticContact CE2-CE2 3.87Å; W40-F53 AromaticContact CE2-CZ 3.93Å; W40-F53 HydrophobicContact CG-CE2 4.31Å; W40-F53 HydrophobicContact CZ2-CE2 4.42Å; W40-F53 HydrophobicContact CZ2-CZ 4.02Å; W40-F53 AromaticContact NE1-CE2 3.5Å; W40-F53 AromaticContact NE1-CZ 3.97Å
41S85.9Confident84.6Confident65 Ų6579.1 Ų79.146%0.45540%0.403SS..THydrogen-bonded Turntrans-57.3-25.4176.344.40000113.5G29 V30 C43G29-S41 VanDerWaalsContact CA-OG 3.27Å; G29-S41 WeakPolarHBondContact CA-OG 3.42Å; V30-S41 PolarHBondContact N-OG 3.49Å; V30-S41 PolarHBondContact O-N 3.46Å; V30-S41 PolarHBondContact O-OG 3.33Å; S41-C43 VanDerWaalsContact C-N 3.32Å
42C86.9Confident84.6Confident46 Ų4680.7 Ų80.731%0.31141%0.406SS..THydrogen-bonded Turntrans-83.1-2.6174.257.30000114.2H27 P28 G29 W40 C59H27-C42 PolarHBondContact ND1-SG 3.26Å; P28-C42 HydrophobicContact CG-CB 3.87Å; G29-C42 PolarHBondContact N-SG 3.36Å; G29-C42 VanDerWaalsContact N-SG 3.36Å; W40-C42 PolarHBondContact O-N 3.43Å; W40-C42 VanDerWaalsContact O-N 3.11Å; C42-C59 PolarHBondContact SG-SG 3.32Å
43C83.9Confident84.8Confident25 Ų2578.4 Ų78.417%0.16939%0.394CS..  trans-126.7145.9-176.9-70.40000111.9H27 W40 S41 C59H27-C43 PolarHBondContact CE1-SG 2.6Å; H27-C43 PolarHBondContact ND1-SG 3.34Å; H27-C43 VanDerWaalsContact ND1-SG 3.36Å; W40-C43 HydrophobicContact CB-CB 4.06Å; W40-C43 CarbonylContact O-C 3.6Å; W40-C43 WeakPolarHBondContact O-CA 3.35Å; W40-C43 PolarHBondContact O-N 3.09Å; S41-C43 VanDerWaalsContact C-N 3.32Å; C43-C59 VanDerWaalsContact SG-CB 3.54Å
44R81.4Confident84.6Confident244 Ų24477.7 Ų77.792%0.92140%0.396SS*.SBendtrans-83.2-20.2171.5-65.6-176.8-177.1173.50.8113.1R46R44-R46 PolarHBondContact O-N 3.28Å
45K82.8Confident84.8Confident106 Ų10677.5 Ų77.546%0.46140%0.399SS..  trans-66.3125.4179.4-170.8176.8-179.8-171.60109.6E52 I56K45-E52 VanDerWaalsContact CE-OE1 3.23Å; K45-E52 WeakPolarHBondContact CE-OE1 3.21Å; K45-E52 IonicContact NZ-OE1 2.77Å; K45-E52 PolarHBondContact NZ-OE1 3.46Å; K45-I56 HydrophobicContact CD-CG1 4.37Å
46R87.6Confident84.9Confident133 Ų13372.3 Ų72.350%0.50237%0.371SS..EExtended strand (participates in β ladder)trans-125.9141.2174.6-58.5-169.9-172.9-176.92.8109.5L37 K38 R44L37-R46 HydrophobicContact CB-CB 4.08Å; L37-R46 HydrophobicContact CD1-CB 4.44Å; L37-R46 HydrophobicContact CD2-CB 4.17Å; L37-R46 HydrophobicContact CG-CB 4.48Å; K38-R46 CarbonylContact O-C 3.53Å; K38-R46 VanDerWaalsContact O-CA 3.3Å; K38-R46 WeakPolarHBondContact O-CA 3.48Å; R44-R46 PolarHBondContact O-N 3.28Å
47T85.2Confident85.3Confident4 Ų477 Ų773%0.02538%0.376CS..EExtended strand (participates in β ladder)trans-129.5146.7-177.465.90000109.7L37 K38 D49 E52 F53 I56L37-T47 CarbonylContact C-O 3.48Å; K38-T47 PolarHBondContact N-O 3.07Å; K38-T47 PolarHBondContact O-N 3.47Å; T47-D49 PolarHBondContact OG1-O 3.49Å; T47-E52 HydrophobicContact CG2-CB 3.99Å; T47-E52 HydrophobicContact CG2-CG 3.78Å; T47-E52 WeakPolarHBondContact CG2-OE2 3.34Å; T47-F53 WeakPolarHBondContact OG1-CB 3.47Å; T47-F53 PolarHBondContact OG1-N 3.47Å; T47-I56 HydrophobicContact CG2-CD1 4.24Å
48V85.2Confident85.6Confident102 Ų10275 Ų7562%0.61837%0.37SS*.SBendtrans-82.8-29.2171.9-670000111.2L37 K38L37-V48 HydrophobicContact CD2-CG1 3.66Å; K38-V48 PolarHBondContact NZ-O 2.96Å
49D85.4Confident85.7Confident81 Ų8175.8 Ų75.843%0.43338%0.381SS..SBendtrans-84.6139.4178.7-177.960.7000112.4T47 S51 E52 F53T47-D49 PolarHBondContact OG1-O 3.49Å; D49-S51 WeakPolarHBondContact OD2-CA 3.45Å; D49-S51 WeakPolarHBondContact OD2-CB 3.38Å; D49-S51 PolarHBondContact OD2-N 3.15Å; D49-E52 HydrophobicContact CB-CB 4.14Å; D49-E52 PolarHBondContact OD2-N 3Å; D49-F53 PolarHBondContact O-N 3.12Å
50F84.9Confident85.5Confident107 Ų10778.4 Ų78.447%0.46940%0.397SS..Hα-helixtrans-76.9-35.1-177.9-170.5-100000112.4K38 E52 F53 L54K38-F50 HydrophobicContact CD-CB 4.24Å; K38-F50 HydrophobicContact CD-CD2 3.77Å; K38-F50 HydrophobicContact CD-CG 4.49Å; F50-E52 VanDerWaalsContact C-N 3.33Å; F50-F53 HydrophobicContact CD2-CD1 4.35Å; F50-F53 HydrophobicContact CE2-CD1 4.25Å; F50-F53 WeakPolarHBondContact O-CB 3.4Å; F50-F53 PolarHBondContact O-N 3.12Å; F50-L54 HydrophobicContact CD1-CD1 3.97Å; F50-L54 HydrophobicContact CD1-CG 4.29Å; F50-L54 HydrophobicContact CE1-CD1 3.62Å; F50-L54 HydrophobicContact CE1-CD2 4.34Å; F50-L54 HydrophobicContact CE1-CG 4Å; F50-L54 HydrophobicContact CZ-CD1 4.43Å; F50-L54 HydrophobicContact CZ-CD2 4.37Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 3.29Å; F50-L54 VanDerWaalsContact O-N 3.1Å
51S86.3Confident85.5Confident71 Ų7183 Ų8350%0.49742%0.421SS..Hα-helixtrans-67.1-39.8177.2-49.60000110.3D49 F53 L54 N55D49-S51 WeakPolarHBondContact OD2-CA 3.45Å; D49-S51 WeakPolarHBondContact OD2-CB 3.38Å; D49-S51 PolarHBondContact OD2-N 3.15Å; S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 2.77Å; S51-L54 PolarHBondContact O-N 3.4Å; S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 3.02Å; S51-N55 PolarHBondContact O-ND2 3.37Å
52E85.3Confident85.5Confident81 Ų8180.2 Ų80.238%0.37940%0.402SS..Hα-helixtrans-64.5-37174.1-155.6-165.1160.500112.3K45 T47 D49 F50 N55 I56K45-E52 VanDerWaalsContact CE-OE1 3.23Å; K45-E52 WeakPolarHBondContact CE-OE1 3.21Å; K45-E52 IonicContact NZ-OE1 2.77Å; K45-E52 PolarHBondContact NZ-OE1 3.46Å; T47-E52 HydrophobicContact CG2-CB 3.99Å; T47-E52 HydrophobicContact CG2-CG 3.78Å; T47-E52 WeakPolarHBondContact CG2-OE2 3.34Å; D49-E52 HydrophobicContact CB-CB 4.14Å; D49-E52 PolarHBondContact OD2-N 3Å; F50-E52 VanDerWaalsContact C-N 3.33Å; E52-N55 CarbonylContact O-C 3.55Å; E52-N55 PolarHBondContact O-N 3.2Å; E52-I56 WeakPolarHBondContact O-CG1 3.4Å; E52-I56 PolarHBondContact O-N 3.07Å
53F86.8Confident85.5Confident8 Ų881.3 Ų81.34%0.03541%0.409CS..Hα-helixtrans-62.4-46.7176.5163.9-106.2000112.5P31 F33 K38 G39 W40 T47 D49 F50 S51 N55 I56P31-F53 HydrophobicContact CB-CZ 3.86Å; P31-F53 HydrophobicContact CG-CZ 4.26Å; F33-F53 HydrophobicContact CE1-CD1 4.25Å; F33-F53 AromaticContact CE1-CE1 3.96Å; F33-F53 HydrophobicContact CE1-CE1 3.96Å; F33-F53 HydrophobicContact CE1-CZ 4.15Å; F33-F53 AromaticContact CZ-CE1 3.95Å; F33-F53 HydrophobicContact CZ-CE1 3.95Å; F33-F53 HydrophobicContact CZ-CZ 4.09Å; K38-F53 HydrophobicContact CB-CB 3.86Å; K38-F53 HydrophobicContact CB-CD2 3.94Å; K38-F53 HydrophobicContact CB-CG 3.84Å; K38-F53 HydrophobicContact CD-CB 4.39Å; G39-F53 WeakPolarHBondContact O-CE2 3.41Å; W40-F53 AromaticContact CD1-CE2 3.82Å; W40-F53 HydrophobicContact CD2-CE2 4.33Å; W40-F53 AromaticContact CE2-CE2 3.87Å; W40-F53 AromaticContact CE2-CZ 3.93Å; W40-F53 HydrophobicContact CG-CE2 4.31Å; W40-F53 HydrophobicContact CZ2-CE2 4.42Å; W40-F53 HydrophobicContact CZ2-CZ 4.02Å; W40-F53 AromaticContact NE1-CE2 3.5Å; W40-F53 AromaticContact NE1-CZ 3.97Å; T47-F53 WeakPolarHBondContact OG1-CB 3.47Å; T47-F53 PolarHBondContact OG1-N 3.47Å; D49-F53 PolarHBondContact O-N 3.12Å; F50-F53 HydrophobicContact CD2-CD1 4.35Å; F50-F53 HydrophobicContact CE2-CD1 4.25Å; F50-F53 WeakPolarHBondContact O-CB 3.4Å; F50-F53 PolarHBondContact O-N 3.12Å; S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 2.77Å; F53-N55 PolarHBondContact O-N 3.14Å; F53-I56 HydrophobicContact CD2-CD1 3.98Å; F53-I56 WeakPolarHBondContact O-CB 3.39Å; F53-I56 WeakPolarHBondContact O-CG1 3.35Å; F53-I56 PolarHBondContact O-N 3.1Å
54L84.3Confident85.6Confident108 Ų10881 Ų8157%0.56540%0.404SS*.Hα-helixtrans-62.6-28.8176.2-68.4178000112.2F50 S51F50-L54 HydrophobicContact CD1-CD1 3.97Å; F50-L54 HydrophobicContact CD1-CG 4.29Å; F50-L54 HydrophobicContact CE1-CD1 3.62Å; F50-L54 HydrophobicContact CE1-CD2 4.34Å; F50-L54 HydrophobicContact CE1-CG 4Å; F50-L54 HydrophobicContact CZ-CD1 4.43Å; F50-L54 HydrophobicContact CZ-CD2 4.37Å; F50-L54 HydrophobicContact CZ-CG 4.44Å; F50-L54 PolarHBondContact O-N 3.29Å; F50-L54 VanDerWaalsContact O-N 3.1Å; S51-L54 PolarHBondContact O-N 3.4Å
55N85Confident85.7Confident119 Ų11971 Ų7164%0.63637%0.372SS*.THydrogen-bonded Turntrans-85.6-1.4179.6-73.4-36.3000114.3S51 E52 F53 K57S51-N55 WeakPolarHBondContact O-CB 3.31Å; S51-N55 PolarHBondContact O-N 3.02Å; S51-N55 PolarHBondContact O-ND2 3.37Å; E52-N55 CarbonylContact O-C 3.55Å; E52-N55 PolarHBondContact O-N 3.2Å; F53-N55 PolarHBondContact O-N 3.14Å; N55-K57 PolarHBondContact O-N 3.36Å; N55-K57 VanDerWaalsContact O-N 3.09Å
56I84.3Confident85.5Confident12 Ų1267.4 Ų67.46%0.06236%0.362CS..  trans-63.8113.6175-59.6175.1000109H27 K45 T47 E52 F53H27-I56 PolarHBondContact NE2-O 3.46Å; K45-I56 HydrophobicContact CD-CG1 4.37Å; T47-I56 HydrophobicContact CG2-CD1 4.24Å; E52-I56 WeakPolarHBondContact O-CG1 3.4Å; E52-I56 PolarHBondContact O-N 3.07Å; F53-I56 HydrophobicContact CD2-CD1 3.98Å; F53-I56 WeakPolarHBondContact O-CB 3.39Å; F53-I56 WeakPolarHBondContact O-CG1 3.35Å; F53-I56 PolarHBondContact O-N 3.1Å
57K85Confident84.8Confident177 Ų17768.3 Ų68.377%0.7737%0.372SS*.  trans-61140.9178.4-60.9-60.7-176.9-1760111.5H27 N55H27-K57 PolarHBondContact CE1-O 2.86Å; H27-K57 PolarHBondContact NE2-O 2.86Å; H27-K57 VanDerWaalsContact NE2-O 3.13Å; N55-K57 PolarHBondContact O-N 3.36Å; N55-K57 VanDerWaalsContact O-N 3.09Å
58G87.3Confident83.4Confident17 Ų1775.7 Ų75.718%0.17540%0.403CS..  trans-52.2138.5176.100000112.6H26H26-G58 VanDerWaalsContact C-CA 3.42Å; H26-G58 CarbonylContact O-C 3.51Å; H26-G58 WeakPolarHBondContact O-CA 3.29Å
59C87.4Confident82.1Confident63 Ų6376.8 Ų76.843%0.42641%0.405SS..SBendtrans-96.4-1.5-178.265.80000114.8H26 C42 C43H26-C59 PolarHBondContact O-N 3.32Å; H26-C59 VanDerWaalsContact O-N 3.08Å; C42-C59 PolarHBondContact SG-SG 3.32Å; C43-C59 VanDerWaalsContact SG-CB 3.54Å
60T86.4Confident80.1Confident55 Ų5578.4 Ų78.434%0.33742%0.42SS..EExtended strand (participates in β ladder)trans-130.8137.6-179.6-55.50000110.2C25 H26 P28C25-T60 CarbonylContact C-O 3.58Å; C25-T60 WeakPolarHBondContact CA-O 3.3Å; H26-T60 PolarHBondContact N-O 3.28Å; H26-T60 PolarHBondContact O-N 2.9Å; P28-T60 VanDerWaalsContact CD-OG1 3.31Å; P28-T60 WeakPolarHBondContact CD-OG1 3.38Å; P28-T60 WeakPolarHBondContact CG-OG1 3.42Å
61M87.8Confident78.2Confident119 Ų11981.6 Ų81.659%0.58644%0.437SS*.EExtended strand (participates in β ladder)trans-96.1134.9174.3-62-178.57300109.5D22 C24D22-M61 HydrophobicContact CB-CE 4.08Å; D22-M61 WeakPolarHBondContact O-CE 3.43Å; C24-M61 CarbonylContact O-C 3.54Å; C24-M61 VanDerWaalsContact O-CA 3.28Å; C24-M61 WeakPolarHBondContact O-CA 3.23Å
62G86.5Confident76Confident7 Ų781.8 Ų81.87%0.07244%0.442CS..EExtended strand (participates in β ladder)trans-158.8178.5-177.300000111.6P21 S23 C24P21-G62 CarbonylContact O-C 3.6Å; P21-G62 WeakPolarHBondContact O-CA 3.19Å; S23-G62 PolarHBondContact N-O 3.47Å; C24-G62 WeakPolarHBondContact CA-O 3.49Å; C24-G62 WeakPolarHBondContact CB-O 3.31Å; C24-G62 PolarHBondContact N-O 3.42Å; C24-G62 PolarHBondContact O-N 3.26Å
63P86.8Confident73.8Confident68 Ų6883.7 Ų83.744%0.44246%0.462SS..  trans-70.3151.4167.229.7-33.1000110.8N7 N19 L20N7-P63 PolarHBondContact ND2-O 3.27Å; N19-P63 WeakPolarHBondContact OD1-CA 3.3Å; L20-P63 WeakPolarHBondContact O-CA 3.46Å
64H86.2Confident71.4Confident18 Ų1892 Ų928%0.08350%0.5CS..  trans-65.5145.4169.8-62.3-85.2000110.7C5 F14 N19 S23 C24C5-H64 HydrophobicContact CB-CB 4.11Å; C5-H64 PolarHBondContact SG-ND1 3.49Å; F14-H64 HydrophobicContact CB-CB 3.96Å; F14-H64 HydrophobicContact CD1-CB 3.28Å; F14-H64 AromaticContact CD1-CG 3.8Å; F14-H64 HydrophobicContact CD2-CB 3.55Å; F14-H64 HydrophobicContact CE1-CB 3.5Å; F14-H64 VanDerWaalsContact CE1-CB 3.5Å; F14-H64 HydrophobicContact CE2-CB 3.74Å; F14-H64 HydrophobicContact CG-CB 3.3Å; F14-H64 AromaticContact CG-CD2 3.93Å; F14-H64 AromaticContact CG-CG 3.63Å; F14-H64 HydrophobicContact CZ-CB 3.71Å; N19-H64 PolarHBondContact ND2-N 2.68Å; N19-H64 PolarHBondContact ND2-O 3.1Å; N19-H64 PolarHBondContact OD1-N 2.78Å; S23-H64 WeakPolarHBondContact CB-NE2 3.44Å; S23-H64 PolarHBondContact O-NE2 3.08Å; C24-H64 HydrophobicContact CB-CB 4.44Å
65C82.6Confident69.1Low35 Ų3592.3 Ų92.324%0.23651%0.509CS..  trans-125.3130.4177.4-1710000110.4C5 R6 N7C5-C65 CarbonylContact C-O 3.58Å; C5-C65 WeakPolarHBondContact CA-O 3.43Å; R6-C65 PolarHBondContact N-O 2.98Å; N7-C65 VanDerWaalsContact OD1-CB 3.28Å; N7-C65 WeakPolarHBondContact OD1-CB 3.49Å
66A79.1Confident66.8Low30 Ų3095.8 Ų95.825%0.24852%0.522CS..  trans-95.8-13.9176.200000112.8L3 R6 F14L3-A66 HydrophobicContact CB-CB 3.96Å; L3-A66 HydrophobicContact CD1-CB 3.64Å; L3-A66 HydrophobicContact CG-CB 4.4Å; R6-A66 WeakPolarHBondContact CD-O 3.5Å; R6-A66 PolarHBondContact NH1-O 3.02Å; F14-A66 HydrophobicContact CE1-CB 4.19Å; F14-A66 HydrophobicContact CZ-CB 3.96Å
67E73.3Confident64.4Low153 Ų15398.4 Ų98.472%0.71555%0.552SS**SBendtrans-76.5136.6177.2-66.8-173.3166.300110.3L69E67-L69 PolarHBondContact O-N 2.8Å
68K55.5Low62.1Low158 Ų15896 Ų9669%0.68755%0.554SS**  trans-73.199.6171.7-169.3178.7-177.6-172.20105.9
69L57.1Low59.5Low125 Ų125100.1 Ų100.165%0.65459%0.587SS**  trans-51.1133.8173.3-79.1166.3000108.5E67 E71E67-L69 PolarHBondContact O-N 2.8Å; L69-E71 PolarHBondContact O-N 3.45Å
70P44.5Very low56.9Low115 Ų115104 Ų10475%0.74761%0.608SS**  trans-50.5128.7174.7-24.432.3000109.2A72P70-A72 PolarHBondContact O-N 2.98Å
71E44.6Very low54.5Low175 Ų175106.6 Ų106.682%0.81863%0.629SS**  trans-63.6102.2174.8-158.2152.2160.900106.9L69L69-E71 PolarHBondContact O-N 3.45Å
72A41.2Very low51.8Low74 Ų74106.5 Ų106.561%0.61264%0.64SS**PPolyproline II helixtrans-57.5134.9-18000000108.5P70 Q74P70-A72 PolarHBondContact O-N 2.98Å; A72-Q74 PolarHBondContact O-N 2.84Å
73P39Very low49.2Very low121 Ų121111.1 Ų111.179%0.78667%0.671SS**PPolyproline II helixtrans-50.5134.5174.5-2230.4000109.4
74Q36.5Very low46.6Very low182 Ų182114.9 Ų114.985%0.8569%0.687SS**PPolyproline II helixtrans-54.9133.1173.3-65.2-153.9-6.200109.1A72 E76A72-Q74 PolarHBondContact O-N 2.84Å; Q74-E76 PolarHBondContact O-N 2.91Å
75P34.7Very low44.5Very low116 Ų116122 Ų12275%0.75372%0.72SS**PPolyproline II helixtrans-63.2122.8-176.923.1-30.7000110.1G77P75-G77 PolarHBondContact O-N 2.97Å
76E37.6Very low42.1Very low191 Ų191129.2 Ų129.289%0.89375%0.751SS**PPolyproline II helixtrans-54.5123.4161.2-62.2-179.111900108.2Q74Q74-E76 PolarHBondContact O-N 2.91Å
77G33.5Very low40Very low68 Ų68136.4 Ų136.470%0.70178%0.779SS**PPolyproline II helixtrans-65.5140.2-179.400000111.6P75P75-G77 PolarHBondContact O-N 2.97Å
78P37Very low38Very low126 Ų126138.7 Ų138.782%0.81879%0.786SS**PPolyproline II helixtrans-74.4142.5178.529.2-31.3000111.6
79A32.9Very low37.1Very low104 Ų104136.2 Ų136.286%0.8679%0.787SS**PPolyproline II helixtrans-56.3136172.100000111.9
80T32Very low36.1Very low143 Ų143138.6 Ų138.688%0.87780%0.799SS**PPolyproline II helixtrans-78.5143.9171.138.50000111.2
81S36.8Very low35.7Very low111 Ų111140.7 Ų140.778%0.77680%0.804SS**  trans-127.5128.1153.561.20000110.2
82S31.1Very low35.6Very low116 Ų116138.4 Ų138.481%0.81180%0.802SS**  trans100.490.5155.6-53.20000119.3
83S30.8Very low36Very low105 Ų105141.8 Ų141.873%0.73481%0.808SS**  69.3100.4116.7-152.90000121
84L32.2Very low36.2Very low146 Ų146140 Ų14076%0.76480%0.797SS**  165.2125.5101.3-83.3177.4000112.1
85Q42.9Very low36.7Very low168 Ų168136.1 Ų136.179%0.78578%0.777SS**  trans47.8111.2144.7-93.2169.3-26.300122.4
86E31.1Very low37.5Very low187 Ų187134 Ų13487%0.87476%0.764SS**  169.1172.2107.1-94.9171.3114.400112
87Q36.6Very low38.2Very low180 Ų180127.6 Ų127.684%0.84175%0.745SS**  trans-94.4143.1-139.3-59.9169.9-40.600118.7
88K31.3Very low39.1Very low201 Ų201132.2 Ų132.287%0.87475%0.748SS**  trans59.5151.7147.3-163.3174.9-177.9-174.90119.8
89P36.4Very low39.6Very low107 Ų107128.6 Ų128.670%0.69572%0.724SS**  cis-117.3171.8-1.117.47.9000116N91P89-N91 PolarHBondContact O-N 3.24Å
90L35.7Very low40.6Very low174 Ų174125.8 Ų125.891%0.91169%0.694SS**  trans-53.8118.7174-78.9150.4000112.8
91N35.2Very low41.5Very low159 Ų159124.1 Ų124.185%0.8568%0.676SS**  trans-93.6110.3172.6-140.814.7000108.8P89P89-N91 PolarHBondContact O-N 3.24Å
92V43.9Very low42.2Very low128 Ų128129.9 Ų129.978%0.77668%0.681SS**PPolyproline II helixtrans-76.7123.7172.4178.90000107.7
93I48.2Very low43.2Very low145 Ų145129.2 Ų129.274%0.74467%0.665SS**PPolyproline II helixtrans-65.8129.1176.6-57.9162.6000108.4K95I93-K95 PolarHBondContact O-N 2.81Å
94P44Very low44.4Very low84 Ų84127.7 Ų127.755%0.54564%0.643SS.*PPolyproline II helixtrans-65.5123.7174.9-15.228.4000110P298P94-P298 HydrophobicContact CB-CG 4.21Å; P94-P298 HydrophobicContact CG-CG 4.3Å
95K47.2Very low45.5Very low100 Ų100122.5 Ų122.544%0.43562%0.618SS.*PPolyproline II helixtrans-71.5142.9176.4-70.1177.2-179.9-1780110.3I93 L100 E103I93-K95 PolarHBondContact O-N 2.81Å; K95-L100 HydrophobicContact CB-CD2 3.87Å; K95-L100 HydrophobicContact CB-CG 4.45Å; K95-L100 HydrophobicContact CD-CD2 4.48Å; K95-E103 WeakPolarHBondContact CD-OE2 3.41Å; K95-E103 IonicContact NZ-OE1 2.81Å; K95-E103 PolarHBondContact NZ-OE1 3.13Å; K95-E103 IonicContact NZ-OE2 2.67Å; K95-E103 PolarHBondContact NZ-OE2 2.94Å
96S51.9Low46.1Very low70 Ų70123.2 Ų123.249%0.4962%0.618SS.*PPolyproline II helixtrans-61.2146.7176.543.20000112.4E98 T99 L100S96-E98 PolarHBondContact O-N 2.85Å; S96-T99 WeakPolarHBondContact O-CA 3.35Å; S96-T99 WeakPolarHBondContact O-CB 3.02Å; S96-T99 PolarHBondContact O-N 3.45Å; S96-T99 PolarHBondContact O-OG1 2.66Å; S96-T99 VanDerWaalsContact O-OG1 3.07Å; S96-T99 PolarHBondContact OG-OG1 2.76Å; S96-L100 PolarHBondContact O-N 3.41Å
97A51.8Low47.2Very low58 Ų58117.2 Ų117.248%0.47960%0.597SS.*Hα-helixtrans-51.1-35.3-179.600000113.4T99 L100 H101A97-T99 PolarHBondContact O-N 2.77Å; A97-L100 WeakPolarHBondContact O-CB 3.44Å; A97-L100 PolarHBondContact O-N 3.19Å; A97-H101 PolarHBondContact O-CD2 2.94Å; A97-H101 PolarHBondContact O-N 2.76Å
98E51.4Low48Very low164 Ų164117.3 Ų117.377%0.76660%0.598SS**Hα-helixtrans-65.9-32.6176.4-67.8177.8118.600113.4S96 R102S96-E98 PolarHBondContact O-N 2.85Å; E98-R102 PolarHBondContact O-N 3.25Å
99T48.9Very low49.4Very low51 Ų51111.3 Ų111.331%0.31358%0.575SS.*Hα-helixtrans-74.2-35.9173.1-13.70000111S96 A97 R102 E103S96-T99 WeakPolarHBondContact O-CA 3.35Å; S96-T99 WeakPolarHBondContact O-CB 3.02Å; S96-T99 PolarHBondContact O-N 3.45Å; S96-T99 PolarHBondContact O-OG1 2.66Å; S96-T99 VanDerWaalsContact O-OG1 3.07Å; S96-T99 PolarHBondContact OG-OG1 2.76Å; A97-T99 PolarHBondContact O-N 2.77Å; T99-R102 CarbonylContact O-C 3.53Å; T99-R102 PolarHBondContact O-N 2.8Å; T99-R102 VanDerWaalsContact O-N 3.1Å; T99-E103 WeakPolarHBondContact O-CB 3.29Å; T99-E103 PolarHBondContact O-N 2.9Å
100L52.2Low51Low45 Ų45111.1 Ų111.124%0.23657%0.574CS.*Hα-helixtrans-66.9-35.5176.5-57.5-176.9000112.6K95 S96 A97 R102 R104 D297K95-L100 HydrophobicContact CB-CD2 3.87Å; K95-L100 HydrophobicContact CB-CG 4.45Å; K95-L100 HydrophobicContact CD-CD2 4.48Å; S96-L100 PolarHBondContact O-N 3.41Å; A97-L100 WeakPolarHBondContact O-CB 3.44Å; A97-L100 PolarHBondContact O-N 3.19Å; L100-R102 VanDerWaalsContact C-N 3.3Å; L100-R104 PolarHBondContact O-N 3.28Å; L100-D297 HydrophobicContact CD1-CB 3.64Å; L100-D297 HydrophobicContact CD2-CB 3.89Å; L100-D297 WeakPolarHBondContact CD2-OD1 3.13Å; L100-D297 WeakPolarHBondContact CD2-OD2 3.44Å; L100-D297 HydrophobicContact CG-CB 4.42Å
101H52.4Low53.1Low107 Ų107105.8 Ų105.850%0.49555%0.546SS..Hα-helixtrans-67-31.8170.3-75.1-68.3000112.4A97A97-H101 PolarHBondContact O-CD2 2.94Å; A97-H101 PolarHBondContact O-N 2.76Å
102R51.5Low55.5Low232 Ų232103 Ų10388%0.87553%0.526SS*.Hα-helixtrans-83.3-28.5-178.5-132.8-178.5-176.5-122.91.9113.8E98 T99 L100E98-R102 PolarHBondContact O-N 3.25Å; T99-R102 CarbonylContact O-C 3.53Å; T99-R102 PolarHBondContact O-N 2.8Å; T99-R102 VanDerWaalsContact O-N 3.1Å; L100-R102 VanDerWaalsContact C-N 3.3Å
103E51.1Low57.6Low102 Ų102102.4 Ų102.448%0.47752%0.518SS..SBendtrans-91.92.1178.2-72.5-175.3157.600113.5K95 T99 P105K95-E103 WeakPolarHBondContact CD-OE2 3.41Å; K95-E103 IonicContact NZ-OE1 2.81Å; K95-E103 PolarHBondContact NZ-OE1 3.13Å; K95-E103 IonicContact NZ-OE2 2.67Å; K95-E103 PolarHBondContact NZ-OE2 2.94Å; T99-E103 WeakPolarHBondContact O-CB 3.29Å; T99-E103 PolarHBondContact O-N 2.9Å; E103-P105 WeakPolarHBondContact O-CD 3.48Å
104R55.7Low59.4Low74 Ų7495.9 Ų95.928%0.27948%0.484SS..  trans-55.1109.4178.2-167.4178.4-172.9114.61.1109L100 K106 T251 L271 W272L100-R104 PolarHBondContact O-N 3.28Å; R104-K106 PolarHBondContact O-N 3.43Å; R104-T251 HydrophobicContact CG-CG2 3.93Å; R104-L271 PolarHBondContact NH2-O 3.09Å; R104-W272 PolarHBondContact NH1-O 3.32Å
105P56.9Low61.4Low37 Ų3795.1 Ų95.124%0.2448%0.48CS..  trans-63.3141.5179.97.6-3.3000108.5E103 S107 L109 Q250E103-P105 WeakPolarHBondContact O-CD 3.48Å; P105-S107 PolarHBondContact O-N 2.87Å; P105-L109 HydrophobicContact CB-CD1 3.87Å; P105-L109 HydrophobicContact CG-CD1 4.26Å; P105-Q250 HydrophobicContact CG-CB 4.41Å
106K54.9Low63.4Low182 Ų18293.2 Ų93.279%0.79147%0.474SS*.  trans-53.6140.2178.5-71.4179.3179.4176.20109.4R104 E108R104-K106 PolarHBondContact O-N 3.43Å; K106-E108 PolarHBondContact O-N 3.26Å
107S54.9Low65.2Low62 Ų6293.9 Ų93.943%0.43447%0.472SS..THydrogen-bonded Turntrans-53.46.7-176-1660000116.6P105 E252P105-S107 PolarHBondContact O-N 2.87Å; S107-E252 PolarHBondContact OG-OE1 3.3Å; S107-E252 VanDerWaalsContact OG-OE1 3.13Å
108E53.2Low67Low181 Ų18194.3 Ų94.385%0.84647%0.466SS*.THydrogen-bonded Turntrans-105.618-171.2-60-170.2169.300113.6K106K106-E108 PolarHBondContact O-N 3.26Å
109L60Low68.9Low75 Ų7588.2 Ų88.239%0.39344%0.441SS..SBendtrans-77137.2172.4-74.5169.6000110.6P105 L111 S249 Q250P105-L109 HydrophobicContact CB-CD1 3.87Å; P105-L109 HydrophobicContact CG-CD1 4.26Å; L109-L111 PolarHBondContact O-N 3.36Å; L109-S249 PolarHBondContact O-OG 3.42Å; L109-Q250 HydrophobicContact CD1-CG 4.27Å
110P69.4Low70.8Confident104 Ų10492.8 Ų92.868%0.67546%0.459SS*.PPolyproline II helixtrans-62.3133-176.924.9-33.1000111.1K112P110-K112 PolarHBondContact O-N 3.44Å
111L80Confident72.6Confident62 Ų6293.2 Ų93.233%0.32547%0.469SS..PPolyproline II helixtrans-61.6121173.8-70.9164.1000109.9L109 K247L109-L111 PolarHBondContact O-N 3.36Å; L111-K247 HydrophobicContact CB-CB 4.1Å; L111-K247 HydrophobicContact CB-CD 4.47Å; L111-K247 HydrophobicContact CD2-CB 4.44Å
112K85.2Confident74.3Confident101 Ų10188.1 Ų88.144%0.43945%0.445SS..EExtended strand (participates in β ladder)trans-94.4141.7172.9-60.2-179174.7-179.20109.7P110 K247 A248 V277 E278P110-K112 PolarHBondContact O-N 3.44Å; K112-K247 CarbonylContact O-C 3.57Å; K112-K247 WeakPolarHBondContact O-CA 3.14Å; K112-A248 PolarHBondContact N-O 3.09Å; K112-A248 PolarHBondContact O-N 3.31Å; K112-V277 HydrophobicContact CB-CG1 3.77Å; K112-V277 HydrophobicContact CD-CG1 4.07Å; K112-V277 HydrophobicContact CG-CG1 4.33Å; K112-E278 IonicContact NZ-OE1 2.6Å; K112-E278 PolarHBondContact NZ-OE1 3.09Å
113L87.9Confident76Confident114 Ų11481.5 Ų81.560%0.59742%0.424SS*.EExtended strand (participates in β ladder)trans-71.2128.7171.4-78164.7000109.5W245 K247L113-W245 HydrophobicContact CD2-CB 3.89Å; L113-K247 HydrophobicContact CD2-CD 4.28Å; L113-K247 HydrophobicContact CD2-CG 3.51Å; L113-K247 HydrophobicContact CG-CG 4.05Å
114L86.9Confident77.7Confident8 Ų881.8 Ų81.84%0.04243%0.427CS..PPolyproline II helixtrans-79.2143.5175-65.5-173.8000110.5L116 V246 A248 L253 V277 V282 I291 L293L114-L116 PolarHBondContact O-N 2.83Å; L114-V246 HydrophobicContact CD1-CG1 3.9Å; L114-V246 HydrophobicContact CG-CG1 4.44Å; L114-V246 PolarHBondContact N-O 2.8Å; L114-A248 HydrophobicContact CD1-CB 3.9Å; L114-A248 HydrophobicContact CD2-CB 3.9Å; L114-A248 HydrophobicContact CG-CB 3.88Å; L114-L253 HydrophobicContact CD1-CD1 4.47Å; L114-V277 HydrophobicContact CD2-CG1 3.83Å; L114-V277 WeakPolarHBondContact CD2-O 3.36Å; L114-V282 HydrophobicContact CB-CG2 3.88Å; L114-V282 HydrophobicContact CD1-CG2 4.15Å; L114-I291 HydrophobicContact CD1-CG2 4.2Å; L114-L293 HydrophobicContact CD1-CD2 3.91Å
115P86.3Confident79.1Confident69 Ų6979.5 Ų79.545%0.44842%0.424SS..PPolyproline II helixtrans-64131.1175.526.7-33.5000110.6S280 V282P115-S280 WeakPolarHBondContact CD-O 3.47Å; P115-V282 PolarHBondContact O-N 2.86Å
116L88.4Confident80.4Confident60 Ų6079.5 Ų79.531%0.31442%0.421SS..EExtended strand (participates in β ladder)trans-92.5125.8175.4-55.9-179.7000109.4L114 I244 V282L114-L116 PolarHBondContact O-N 2.83Å; L116-I244 HydrophobicContact CD1-CG2 4.4Å; L116-I244 HydrophobicContact CD2-CG2 4.31Å; L116-V282 CarbonylContact C-O 3.57Å; L116-V282 HydrophobicContact CD2-CB 3.67Å; L116-V282 HydrophobicContact CD2-CG1 3.94Å; L116-V282 HydrophobicContact CD2-CG2 4Å
117N89Confident81.7Confident83 Ų8376.3 Ų76.344%0.44441%0.41SS..EExtended strand (participates in β ladder)trans-107.3117.2171.2-61.5-72.4000108.1V282 S283 L284N117-V282 WeakPolarHBondContact CB-O 3.49Å; N117-V282 PolarHBondContact N-O 3.22Å; N117-V282 PolarHBondContact ND2-O 3.22Å; N117-S283 CarbonylContact O-C 3.6Å; N117-S283 WeakPolarHBondContact O-CA 3.48Å; N117-L284 PolarHBondContact O-N 3.48Å
118I91Very high83Confident68 Ų6878.9 Ų78.935%0.34941%0.414SS..EExtended strand (participates in β ladder)trans-91.4123.8178.4-50.2173.5000106.9L122 E123 P241 L284I118-L122 HydrophobicContact CG2-CB 4.32Å; I118-L122 HydrophobicContact CG2-CD2 3.97Å; I118-L122 HydrophobicContact CG2-CG 4.25Å; I118-E123 HydrophobicContact CB-CG 4.45Å; I118-E123 HydrophobicContact CG2-CG 3.61Å; I118-P241 HydrophobicContact CD1-CB 3.64Å; I118-P241 HydrophobicContact CD1-CG 3.8Å; I118-P241 HydrophobicContact CG1-CB 4.2Å; I118-P241 HydrophobicContact CG1-CG 4.2Å; I118-P241 HydrophobicContact CG2-CG 4.33Å; I118-L284 HydrophobicContact CG1-CD1 4.31Å
119S90.4Very high83.9Confident35 Ų3573.1 Ų73.125%0.24539%0.387CS..  trans-73.5144174.863.10000110.7A121 L122 E123 L284S119-A121 PolarHBondContact O-N 2.95Å; S119-A121 VanDerWaalsContact O-N 3.12Å; S119-L122 WeakPolarHBondContact O-CA 3.38Å; S119-L122 WeakPolarHBondContact O-CB 3.2Å; S119-L122 PolarHBondContact O-N 3.26Å; S119-L122 PolarHBondContact OG-N 3.1Å; S119-E123 PolarHBondContact O-N 2.84Å; S119-E123 VanDerWaalsContact O-N 3.12Å; S119-L284 VanDerWaalsContact CB-O 3.31Å; S119-L284 WeakPolarHBondContact CB-O 3.45Å; S119-L284 PolarHBondContact N-O 2.86Å; S119-L284 PolarHBondContact OG-O 2.96Å
120Q89.6Confident84.4Confident147 Ų14776.4 Ų76.469%0.68740%0.4SS*.Hα-helixtrans-54.5-34.2177-173.1176.824.800112.5L122 E123 M124Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 2.09Å; Q120-E123 PolarHBondContact O-N 2.81Å; Q120-M124 WeakPolarHBondContact O-CG 2.94Å; Q120-M124 PolarHBondContact O-N 2.79Å
121A90Very high84.2Confident55 Ų5578 Ų7846%0.45540%0.402SS..Hα-helixtrans-64.2-34.917600000112.8S119 A125 P286S119-A121 PolarHBondContact O-N 2.95Å; S119-A121 VanDerWaalsContact O-N 3.12Å; A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 3.31Å; A121-P286 HydrophobicContact CB-CG 3.87Å
122L88Confident83.2Confident0 Ų080.4 Ų80.40%042%0.415CS..Hα-helixtrans-73.4-39.6175.3176.862.5000111.4I118 S119 Q120 A125 L126 I238 P239 L284 P286I118-L122 HydrophobicContact CG2-CB 4.32Å; I118-L122 HydrophobicContact CG2-CD2 3.97Å; I118-L122 HydrophobicContact CG2-CG 4.25Å; S119-L122 WeakPolarHBondContact O-CA 3.38Å; S119-L122 WeakPolarHBondContact O-CB 3.2Å; S119-L122 PolarHBondContact O-N 3.26Å; S119-L122 PolarHBondContact OG-N 3.1Å; Q120-L122 VanDerWaalsContact C-N 3.31Å; Q120-L122 PolarHBondContact O-N 2.09Å; L122-A125 PolarHBondContact O-N 3.2Å; L122-L126 HydrophobicContact CD1-CD1 4.23Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 HydrophobicContact CG-CG 4.44Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.2Å; L122-L126 PolarHBondContact O-N 2.6Å; L122-I238 HydrophobicContact CD1-CG2 4.46Å; L122-P239 HydrophobicContact CD1-CG 4.16Å; L122-P239 HydrophobicContact CD2-CG 3.84Å; L122-L284 HydrophobicContact CD2-CB 3.41Å; L122-L284 VanDerWaalsContact CD2-CB 3.41Å; L122-P286 HydrophobicContact CB-CG 4.29Å
123E86.7Confident81.6Confident92 Ų9281 Ų8143%0.4342%0.42SS..Hα-helixtrans-57.6-50.2174.4-64.1176.4151.200110.4I118 S119 Q120 A125 L126 E127I118-E123 HydrophobicContact CB-CG 4.45Å; I118-E123 HydrophobicContact CG2-CG 3.61Å; S119-E123 PolarHBondContact O-N 2.84Å; S119-E123 VanDerWaalsContact O-N 3.12Å; Q120-E123 PolarHBondContact O-N 2.81Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.42Å; E123-L126 PolarHBondContact O-N 3.09Å; E123-E127 WeakPolarHBondContact O-CG 3.49Å; E123-E127 PolarHBondContact O-N 3.37Å
124M87.3Confident79.3Confident109 Ų10982.7 Ų82.754%0.53742%0.424SS..Hα-helixtrans-60.5-40.2175.6-73.6174.938.800113.1Q120 L126 E127 Q128Q120-M124 WeakPolarHBondContact O-CG 2.94Å; Q120-M124 PolarHBondContact O-N 2.79Å; M124-L126 VanDerWaalsContact C-N 3.33Å; M124-E127 PolarHBondContact O-N 2.9Å; M124-Q128 VanDerWaalsContact O-CB 3.23Å; M124-Q128 WeakPolarHBondContact O-CB 3.48Å; M124-Q128 PolarHBondContact O-N 3.02Å
125A85.4Confident76.9Confident25 Ų2587.8 Ų87.821%0.20746%0.458CS..Hα-helixtrans-67-35.5178.600000112.1A121 L122 E123 K129 P286A121-A125 WeakPolarHBondContact O-CB 3.4Å; A121-A125 PolarHBondContact O-N 3.31Å; L122-A125 PolarHBondContact O-N 3.2Å; E123-A125 VanDerWaalsContact C-N 3.34Å; E123-A125 PolarHBondContact O-N 3.42Å; A125-K129 VanDerWaalsContact O-CB 3.3Å; A125-K129 WeakPolarHBondContact O-CB 3.38Å; A125-K129 PolarHBondContact O-N 3.33Å; A125-P286 HydrophobicContact CB-CB 4.48Å
126L83.6Confident74.8Confident37 Ų3787.3 Ų87.319%0.19447%0.466CS..Hα-helixtrans-68.3-47.8174.1-71168000110.8L122 E123 M124 Q128 K129 E130 I238 L240 P241L122-L126 HydrophobicContact CD1-CD1 4.23Å; L122-L126 HydrophobicContact CD1-CG 4.16Å; L122-L126 HydrophobicContact CG-CD1 4.06Å; L122-L126 HydrophobicContact CG-CG 4.44Å; L122-L126 WeakPolarHBondContact O-CB 3.49Å; L122-L126 VanDerWaalsContact O-CG 3.3Å; L122-L126 WeakPolarHBondContact O-CG 3.2Å; L122-L126 PolarHBondContact O-N 2.6Å; E123-L126 PolarHBondContact O-N 3.09Å; M124-L126 VanDerWaalsContact C-N 3.33Å; L126-Q128 PolarHBondContact O-N 3.47Å; L126-K129 WeakPolarHBondContact O-CB 3.37Å; L126-K129 PolarHBondContact O-N 2.98Å; L126-E130 WeakPolarHBondContact O-CG 3.49Å; L126-E130 PolarHBondContact O-N 3.22Å; L126-I238 HydrophobicContact CD2-CG2 3.41Å; L126-I238 VanDerWaalsContact CD2-CG2 3.41Å; L126-I238 HydrophobicContact CG-CG2 4.24Å; L126-L240 HydrophobicContact CD2-CD2 3.94Å; L126-P241 HydrophobicContact CD1-CG 4.12Å
127E82.6Confident72.5Confident116 Ų11688.9 Ų88.954%0.54249%0.488SS..Hα-helixtrans-59.9-45.6176.5-72.5177167.200111.8E123 M124 K129 E130 L131E123-E127 WeakPolarHBondContact O-CG 3.49Å; E123-E127 PolarHBondContact O-N 3.37Å; M124-E127 PolarHBondContact O-N 2.9Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.09Å; E127-E130 WeakPolarHBondContact O-CB 3.47Å; E127-E130 PolarHBondContact O-N 2.92Å; E127-E130 VanDerWaalsContact O-N 3.14Å; E127-L131 WeakPolarHBondContact O-CD1 3.33Å; E127-L131 PolarHBondContact O-N 3.2Å
128Q81.6Confident70.4Confident115 Ų11588.1 Ų88.154%0.53750%0.499SS..Hα-helixtrans-62.2-38.3176.8-179.6165.313.700111.3M124 L126 E130 L131 D132M124-Q128 VanDerWaalsContact O-CB 3.23Å; M124-Q128 WeakPolarHBondContact O-CB 3.48Å; M124-Q128 PolarHBondContact O-N 3.02Å; L126-Q128 PolarHBondContact O-N 3.47Å; Q128-E130 VanDerWaalsContact C-N 3.33Å; Q128-E130 PolarHBondContact O-N 3.12Å; Q128-L131 CarbonylContact O-C 3.5Å; Q128-L131 WeakPolarHBondContact O-CB 3.42Å; Q128-L131 PolarHBondContact O-N 3.38Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; Q128-D132 VanDerWaalsContact CG-OD2 3.27Å; Q128-D132 WeakPolarHBondContact CG-OD2 3.18Å; Q128-D132 WeakPolarHBondContact O-CB 3.42Å; Q128-D132 PolarHBondContact O-N 2.69Å
129K72.8Confident68.3Low60 Ų6089.7 Ų89.726%0.26151%0.508SS..Hα-helixtrans-68.9-31.2175.3-164.3-177.6-174.3-107.10112.9A125 L126 E127 L131 Q133 I238 D260A125-K129 VanDerWaalsContact O-CB 3.3Å; A125-K129 WeakPolarHBondContact O-CB 3.38Å; A125-K129 PolarHBondContact O-N 3.33Å; L126-K129 WeakPolarHBondContact O-CB 3.37Å; L126-K129 PolarHBondContact O-N 2.98Å; E127-K129 VanDerWaalsContact C-N 3.28Å; E127-K129 PolarHBondContact O-N 3.09Å; K129-L131 VanDerWaalsContact C-N 3.27Å; K129-Q133 WeakPolarHBondContact O-CB 3.45Å; K129-Q133 WeakPolarHBondContact O-CG 3.35Å; K129-Q133 PolarHBondContact O-N 3.13Å; K129-Q133 PolarHBondContact O-NE2 3.12Å; K129-I238 HydrophobicContact CD-CD1 4.09Å; K129-D260 WeakPolarHBondContact CE-OD1 3.46Å; K129-D260 WeakPolarHBondContact CE-OD2 3.38Å; K129-D260 IonicContact NZ-OD1 3.38Å; K129-D260 PolarHBondContact NZ-OD1 2.81Å; K129-D260 IonicContact NZ-OD2 3.2Å; K129-D260 PolarHBondContact NZ-OD2 3.05Å
130E71Confident66.1Low145 Ų14593.3 Ų93.368%0.67852%0.524SS*.Hα-helixtrans-68-30171.4-69.9-177.9135.200111.7L126 E127 Q128L126-E130 WeakPolarHBondContact O-CG 3.49Å; L126-E130 PolarHBondContact O-N 3.22Å; E127-E130 WeakPolarHBondContact O-CB 3.47Å; E127-E130 PolarHBondContact O-N 2.92Å; E127-E130 VanDerWaalsContact O-N 3.14Å; Q128-E130 VanDerWaalsContact C-N 3.33Å; Q128-E130 PolarHBondContact O-N 3.12Å
131L65.1Low64.2Low138 Ų13889.6 Ų89.672%0.72351%0.514SS*.Hα-helixtrans-81.6-41.8176.4-78150.2000113.5E127 Q128 K129 Q133E127-L131 WeakPolarHBondContact O-CD1 3.33Å; E127-L131 PolarHBondContact O-N 3.2Å; Q128-L131 CarbonylContact O-C 3.5Å; Q128-L131 WeakPolarHBondContact O-CB 3.42Å; Q128-L131 PolarHBondContact O-N 3.38Å; Q128-L131 VanDerWaalsContact O-N 3.15Å; K129-L131 VanDerWaalsContact C-N 3.27Å; L131-Q133 PolarHBondContact O-N 3.46Å
132D58Low62.2Low112 Ų11291.2 Ų91.260%0.59952%0.523SS*.Hα-helixtrans-72.8-12.9177.5-75.8-36.8000112.4Q128 E134Q128-D132 VanDerWaalsContact CG-OD2 3.27Å; Q128-D132 WeakPolarHBondContact CG-OD2 3.18Å; Q128-D132 WeakPolarHBondContact O-CB 3.42Å; Q128-D132 PolarHBondContact O-N 2.69Å; D132-E134 PolarHBondContact O-N 3.33Å
133Q52.9Low60.5Low114 Ų11496.8 Ų96.853%0.53355%0.552SS.*  trans-70.881.6164.3-81.5170.661.300109.6K129 L131K129-Q133 WeakPolarHBondContact O-CB 3.45Å; K129-Q133 WeakPolarHBondContact O-CG 3.35Å; K129-Q133 PolarHBondContact O-N 3.13Å; K129-Q133 PolarHBondContact O-NE2 3.12Å; L131-Q133 PolarHBondContact O-N 3.46Å
134E39Very low59.1Low148 Ų14893.7 Ų93.769%0.69254%0.538SS*.  trans-48.8137.7156.1-69.5-69.4132.600108.2D132 G136D132-E134 PolarHBondContact O-N 3.33Å; E134-G136 PolarHBondContact O-N 2.87Å
135P36.7Very low57.8Low115 Ų11597.3 Ų97.375%0.74755%0.545SS*.THydrogen-bonded Turntrans-6774.7-179.526.3-33000111
136G42.3Very low57Low59 Ų59101.2 Ų101.261%0.60857%0.567SS**THydrogen-bonded Turntrans172.9-7.4-170.700000118.9E134 G138E134-G136 PolarHBondContact O-N 2.87Å; G136-G138 PolarHBondContact O-N 2.87Å
137A39.9Very low56.4Low94 Ų94102 Ų10278%0.77758%0.584SS**  trans-100.380.1173.200000110.4
138G43.6Very low56.2Low66 Ų6696.9 Ų96.968%0.6856%0.561SS**  trans-59.6147.5165.400000110.1G136 D140G136-G138 PolarHBondContact O-N 2.87Å; G138-D140 PolarHBondContact O-N 2.75Å
139L48.6Very low56.2Low102 Ų10294.5 Ų94.553%0.53456%0.557SS.*  trans-48.2141.7163.2-90.6115.3000109.4S141L139-S141 PolarHBondContact O-N 2.91Å
140D42.7Very low56.7Low110 Ų11092 Ų9259%0.58855%0.548SS*.  trans-49.1112.5176.5-159-31.5000109.7G138 S142 L143G138-D140 PolarHBondContact O-N 2.75Å; D140-S142 PolarHBondContact O-N 2.95Å; D140-S142 WeakPolarHBondContact OD1-CB 3.21Å; D140-S142 PolarHBondContact OD1-N 2.71Å; D140-S142 PolarHBondContact OD1-OG 3.49Å; D140-L143 PolarHBondContact O-N 3.01Å
141S49.5Very low57.1Low69 Ų6990.7 Ų90.748%0.48354%0.541SS..G310 helixtrans-61.7-10.3-175.550.30000112.9L139 L143L139-S141 PolarHBondContact O-N 2.91Å; S141-L143 PolarHBondContact O-N 3.26Å
142S48.1Very low57.9Low90 Ų9085.4 Ų85.463%0.62951%0.514SS*.G310 helixtrans-68.1-14176.355.50000114.8D140D140-S142 PolarHBondContact O-N 2.95Å; D140-S142 WeakPolarHBondContact OD1-CB 3.21Å; D140-S142 PolarHBondContact OD1-N 2.71Å; D140-S142 PolarHBondContact OD1-OG 3.49Å
143L53.1Low58.8Low116 Ų11682.5 Ų82.561%0.60750%0.501SS*.G310 helixtrans-104-9.9178.8-72.4166.7000114.8D140 S141 R145 L215D140-L143 PolarHBondContact O-N 3.01Å; S141-L143 PolarHBondContact O-N 3.26Å; L143-R145 PolarHBondContact O-N 2.96Å; L143-L215 HydrophobicContact CD1-CD1 4.44Å
144I57.8Low60Low27 Ų2778.2 Ų78.214%0.13849%0.487CS..  trans-89.7111.6-175.9-52.2166000108.6T146 Y159 W211I144-T146 PolarHBondContact O-N 2.81Å; I144-Y159 HydrophobicContact CB-CD1 3.94Å; I144-Y159 HydrophobicContact CB-CE1 3.7Å; I144-Y159 HydrophobicContact CB-CG 4.5Å; I144-Y159 HydrophobicContact CD1-CE2 4.2Å; I144-Y159 HydrophobicContact CG2-CD1 3.24Å; I144-Y159 HydrophobicContact CG2-CD2 4.04Å; I144-Y159 HydrophobicContact CG2-CE1 3.55Å; I144-Y159 HydrophobicContact CG2-CE2 4.31Å; I144-Y159 HydrophobicContact CG2-CG 3.5Å; I144-Y159 VanDerWaalsContact CG2-CG 3.5Å; I144-W211 HydrophobicContact CD1-CB 3.84Å; I144-W211 HydrophobicContact CD1-CG 4.32Å; I144-W211 HydrophobicContact CG1-CB 4.23Å; I144-W211 HydrophobicContact CG2-CB 3.7Å; I144-W211 HydrophobicContact CG2-CG 4.45Å
145R59.6Low62.1Low185 Ų18571.7 Ų71.770%0.69846%0.458SS*.  trans-69.3130.9173.7-68.2-165.4-173.3170.7-1.1109.8L143 G147 S148L143-R145 PolarHBondContact O-N 2.96Å; R145-G147 PolarHBondContact O-N 2.97Å; R145-S148 WeakPolarHBondContact O-CB 3.49Å; R145-S148 PolarHBondContact O-N 3.39Å; R145-S148 PolarHBondContact O-OG 3.06Å
146T68.2Low64.2Low107 Ų10773 Ų7366%0.65646%0.459SS*.THydrogen-bonded Turntrans-48.6124.7164.5-43.60000109.2I144 Y159I144-T146 PolarHBondContact O-N 2.81Å; T146-Y159 CarbonylContact C-O 3.59Å; T146-Y159 WeakPolarHBondContact CA-O 3.42Å
147G71.3Confident66.1Low54 Ų5471.5 Ų71.556%0.55744%0.441SS*.THydrogen-bonded Turntrans102.21.6-171.500000115.6R145 Y159R145-G147 PolarHBondContact O-N 2.97Å; G147-Y159 PolarHBondContact N-O 2.97Å
148S78.2Confident68.2Low8 Ų870.1 Ų70.16%0.05642%0.422CS..PPolyproline II helixtrans-74.4125.7176.7-57.10000110.8R145 Y159 K213R145-S148 WeakPolarHBondContact O-CB 3.49Å; R145-S148 PolarHBondContact O-N 3.39Å; R145-S148 PolarHBondContact O-OG 3.06Å; S148-Y159 WeakPolarHBondContact O-CB 3.17Å; S148-Y159 PolarHBondContact O-N 3.31Å; S148-K213 WeakPolarHBondContact OG-CE 3.21Å
149S82.8Confident70Confident65 Ų6567.3 Ų67.346%0.45539%0.391SS..BIsolated β-bridgetrans-79.7145.1176.460.60000111.4Q151 A157S149-Q151 PolarHBondContact O-N 3.1Å; S149-Q151 PolarHBondContact O-NE2 2.81Å; S149-Q151 VanDerWaalsContact O-NE2 3.09Å; S149-A157 WeakPolarHBondContact CA-O 3.43Å
150C82.4Confident71.4Confident9 Ų968.9 Ų68.96%0.06140%0.396CS..PPolyproline II helixtrans-57.5134.8172.5-170.90000110.2C155 A157 D210 W211C150-C155 HydrophobicContact CB-CB 4.03Å; C150-A157 HydrophobicContact CB-CB 4.41Å; C150-A157 PolarHBondContact N-O 3.48Å; C150-D210 CarbonylContact C-O 3.52Å; C150-D210 WeakPolarHBondContact CA-O 3.41Å; C150-D210 PolarHBondContact SG-N 2.91Å; C150-W211 HydrophobicContact CB-CE3 4.19Å; C150-W211 HydrophobicContact CB-CH2 4.48Å; C150-W211 HydrophobicContact CB-CZ3 3.85Å
151Q78.9Confident73Confident116 Ų11664 Ų6454%0.54237%0.371SS..  trans-86.7-9.8178.3-61.3-57.4-56.700112.8S149 D210S149-Q151 PolarHBondContact O-N 3.1Å; S149-Q151 PolarHBondContact O-NE2 2.81Å; S149-Q151 VanDerWaalsContact O-NE2 3.09Å; Q151-D210 HydrophobicContact CB-CB 4.26Å; Q151-D210 PolarHBondContact N-O 3.41Å
152N81.4Confident74Confident28 Ų2865.2 Ų65.215%0.1538%0.378CS..SBendtrans-68.5130.6178.3-71-35.9000110.8G154 C155 C169 Y171 R208 D210N152-G154 PolarHBondContact O-N 2.86Å; N152-C155 HydrophobicContact CB-CB 4.18Å; N152-C155 WeakPolarHBondContact O-CB 3.27Å; N152-C155 PolarHBondContact O-N 3.41Å; N152-C169 PolarHBondContact ND2-SG 3.06Å; N152-Y171 HydrophobicContact CB-CD1 4.4Å; N152-Y171 HydrophobicContact CB-CD2 4.13Å; N152-Y171 HydrophobicContact CB-CG 3.79Å; N152-R208 PolarHBondContact ND2-O 3.16Å; N152-D210 PolarHBondContact ND2-N 2.77Å
153P77.7Confident75.1Confident50 Ų5066.4 Ų66.433%0.32537%0.373SS..THydrogen-bonded Turntrans-63.2126.3-177.725.6-36.8000112.2Y171 H172 W185P153-Y171 CarbonylContact O-C 3.59Å; P153-Y171 VanDerWaalsContact O-CA 3.31Å; P153-Y171 WeakPolarHBondContact O-CA 3.3Å; P153-Y171 WeakPolarHBondContact O-CB 3.25Å; P153-H172 WeakPolarHBondContact CG-O 3.37Å; P153-H172 PolarHBondContact O-N 2.82Å; P153-W185 HydrophobicContact CB-CH2 3.6Å; P153-W185 HydrophobicContact CB-CZ2 4.49Å; P153-W185 HydrophobicContact CB-CZ3 3.81Å; P153-W185 HydrophobicContact CG-CZ3 4.49Å
154G77.9Confident76.1Confident24 Ų2461.6 Ų61.625%0.24735%0.349CS..THydrogen-bonded Turntrans85.16.7-176.800000114.3N152N152-G154 PolarHBondContact O-N 2.86Å
155C83.6Confident76.5Confident12 Ų1263.1 Ų63.18%0.08136%0.358CS..  trans-107.2111.6171.9-172.70000110.9C150 N152 A157 C169 H209C150-C155 HydrophobicContact CB-CB 4.03Å; N152-C155 HydrophobicContact CB-CB 4.18Å; N152-C155 WeakPolarHBondContact O-CB 3.27Å; N152-C155 PolarHBondContact O-N 3.41Å; C155-A157 VanDerWaalsContact C-N 3.31Å; C155-C169 PolarHBondContact SG-SG 3.31Å; C155-H209 PolarHBondContact SG-CE1 2.77Å; C155-H209 PolarHBondContact SG-ND1 3.18Å
156D80.9Confident77Confident143 Ų14358.3 Ų58.377%0.76536%0.357SS*.  trans-9415.1179-60.2-41.3000113.1
157A82.6Confident77.5Confident27 Ų2757.2 Ų57.222%0.22335%0.35CS..  trans-67.8147.2-178.400000110.9S149 C150 C155 H209 W211S149-A157 WeakPolarHBondContact CA-O 3.43Å; C150-A157 HydrophobicContact CB-CB 4.41Å; C150-A157 PolarHBondContact N-O 3.48Å; C155-A157 VanDerWaalsContact C-N 3.31Å; A157-H209 WeakPolarHBondContact CB-CE1 3.49Å; A157-W211 HydrophobicContact CB-CH2 3.67Å; A157-W211 HydrophobicContact CB-CZ3 4.17Å; A157-W211 WeakPolarHBondContact O-CZ3 3.43Å
158V83.1Confident78Confident64 Ų6458.9 Ų58.939%0.38835%0.352SS..BIsolated β-bridgetrans-122.5129.4179-1790000108.2Q160V158-Q160 PolarHBondContact O-N 2.94Å
159Y81.3Confident78.2Confident8 Ų858.5 Ų58.53%0.03135%0.349CS..  trans-66.9111.3179.7-171.2-104000110.6I144 T146 G147 S148 G161 W211I144-Y159 HydrophobicContact CB-CD1 3.94Å; I144-Y159 HydrophobicContact CB-CE1 3.7Å; I144-Y159 HydrophobicContact CB-CG 4.5Å; I144-Y159 HydrophobicContact CD1-CE2 4.2Å; I144-Y159 HydrophobicContact CG2-CD1 3.24Å; I144-Y159 HydrophobicContact CG2-CD2 4.04Å; I144-Y159 HydrophobicContact CG2-CE1 3.55Å; I144-Y159 HydrophobicContact CG2-CE2 4.31Å; I144-Y159 HydrophobicContact CG2-CG 3.5Å; I144-Y159 VanDerWaalsContact CG2-CG 3.5Å; T146-Y159 CarbonylContact C-O 3.59Å; T146-Y159 WeakPolarHBondContact CA-O 3.42Å; G147-Y159 PolarHBondContact N-O 2.97Å; S148-Y159 WeakPolarHBondContact O-CB 3.17Å; S148-Y159 PolarHBondContact O-N 3.31Å; Y159-G161 VanDerWaalsContact CE2-O 3.27Å; Y159-G161 WeakPolarHBondContact CE2-O 3.45Å; Y159-W211 HydrophobicContact CD2-CB 4.49Å; Y159-W211 AromaticContact CD2-CD1 3.76Å; Y159-W211 AromaticContact CD2-CD2 3.72Å; Y159-W211 HydrophobicContact CD2-CD2 3.72Å; Y159-W211 AromaticContact CD2-CE2 3.61Å; Y159-W211 HydrophobicContact CD2-CE3 4.39Å; Y159-W211 AromaticContact CD2-CG 3.78Å; Y159-W211 HydrophobicContact CD2-CG 3.78Å; Y159-W211 HydrophobicContact CD2-CZ2 4.17Å; Y159-W211 AromaticContact CD2-NE1 3.65Å; Y159-W211 HydrophobicContact CE2-CG 4.44Å; Y159-W211 HydrophobicContact CG-CD2 4.22Å; Y159-W211 HydrophobicContact CG-CG 4.34Å; Y159-W211 VanDerWaalsContact N-CZ3 3.3Å
160Q77.6Confident78.4Confident135 Ų13558.4 Ų58.463%0.63135%0.346SS*.  trans-104.2-9.8175.4-65.8-179.725.200112.8V158 S164V158-Q160 PolarHBondContact O-N 2.94Å; Q160-S164 PolarHBondContact N-OG 3.42Å
161G76.6Confident78.6Confident7 Ų760.1 Ų60.17%0.07235%0.351CS..SBendtrans153.3-176.5-176.700000110.9Y159 E163 S164Y159-G161 VanDerWaalsContact CE2-O 3.27Å; Y159-G161 WeakPolarHBondContact CE2-O 3.45Å; G161-E163 WeakPolarHBondContact CA-OE2 3.46Å; G161-E163 PolarHBondContact O-N 3.39Å; G161-E163 VanDerWaalsContact O-N 3.1Å; G161-S164 PolarHBondContact N-OG 3.46Å; G161-S164 VanDerWaalsContact O-CB 3.23Å; G161-S164 WeakPolarHBondContact O-CB 3.41Å; G161-S164 PolarHBondContact O-N 3.04Å; G161-S164 PolarHBondContact O-OG 2.74Å
162P70.6Confident78.7Confident95 Ų9554.6 Ų54.662%0.61733%0.326SS*.G310 helixtrans-58.9-20.217723.9-32.4000113.4S164 D165P162-S164 PolarHBondContact O-N 3.49Å; P162-D165 PolarHBondContact O-N 3.05Å
163E72Confident78.6Confident115 Ų11556.7 Ų56.754%0.53734%0.341SS..G310 helixtrans-66.1-21.7170.666.4-83.6-172.500113.8G161 D165 A166G161-E163 WeakPolarHBondContact CA-OE2 3.46Å; G161-E163 PolarHBondContact O-N 3.39Å; G161-E163 VanDerWaalsContact O-N 3.1Å; E163-D165 PolarHBondContact O-N 2.78Å; E163-A166 WeakPolarHBondContact O-CB 3.3Å; E163-A166 PolarHBondContact O-N 3.15Å; E163-A166 VanDerWaalsContact O-N 3.1Å
164S74.2Confident78.7Confident14 Ų1455 Ų5510%0.09833%0.332CS..G310 helixtrans-71.3-20.2177.5-56.30000112.5Q160 G161 P162 A166 T167 H209Q160-S164 PolarHBondContact N-OG 3.42Å; G161-S164 PolarHBondContact N-OG 3.46Å; G161-S164 VanDerWaalsContact O-CB 3.23Å; G161-S164 WeakPolarHBondContact O-CB 3.41Å; G161-S164 PolarHBondContact O-N 3.04Å; G161-S164 PolarHBondContact O-OG 2.74Å; P162-S164 PolarHBondContact O-N 3.49Å; S164-A166 VanDerWaalsContact C-N 3.3Å; S164-T167 PolarHBondContact O-OG1 2.86Å; S164-H209 PolarHBondContact O-CD2 3.14Å
165D65.4Low78.8Confident60 Ų6056.6 Ų56.632%0.32134%0.343SS..G310 helixtrans-82.2-8171.9-71.1-50.3000113.2P162 E163 T167 W211P162-D165 PolarHBondContact O-N 3.05Å; E163-D165 PolarHBondContact O-N 2.78Å; D165-T167 VanDerWaalsContact C-N 3.32Å; D165-W211 PolarHBondContact OD1-NE1 2.73Å
166A70.9Confident78.9Confident84 Ų8459.1 Ų59.169%0.69436%0.359SS*.SBendtrans-73.8-26.4175.600000111.9E163 S164E163-A166 WeakPolarHBondContact O-CB 3.3Å; E163-A166 PolarHBondContact O-N 3.15Å; E163-A166 VanDerWaalsContact O-N 3.1Å; S164-A166 VanDerWaalsContact C-N 3.3Å
167T78.7Confident79Confident83 Ų8358.7 Ų58.751%0.50935%0.347SS..SBendtrans-86.2131.1172.651.70000110.4S164 D165 H209S164-T167 PolarHBondContact O-OG1 2.86Å; D165-T167 VanDerWaalsContact C-N 3.32Å; T167-H209 PolarHBondContact O-CD2 3.41Å; T167-H209 VanDerWaalsContact O-CD2 3.26Å; T167-H209 PolarHBondContact O-NE2 3.39Å; T167-H209 VanDerWaalsContact O-NE2 3.08Å
168P80.8Confident79.3Confident90 Ų9063.1 Ų63.158%0.58436%0.361SS*.PPolyproline II helixtrans-73.4137.4176.330.7-34.4000110.8T170 V206P168-T170 PolarHBondContact O-N 2.89Å; P168-V206 HydrophobicContact CB-CG1 3.58Å; P168-V206 HydrophobicContact CG-CG1 4.25Å
169C83.3Confident79.1Confident0 Ų064.2 Ų64.20%036%0.362CS..EExtended strand (participates in β ladder)trans-76.2120.9178.3-179.80000110.7N152 C155 V206 G207 R208 H209N152-C169 PolarHBondContact ND2-SG 3.06Å; C155-C169 PolarHBondContact SG-SG 3.31Å; C169-V206 CarbonylContact O-C 3.46Å; C169-V206 WeakPolarHBondContact O-CA 3.33Å; C169-G207 WeakPolarHBondContact CB-O 3.44Å; C169-G207 PolarHBondContact N-O 2.77Å; C169-G207 PolarHBondContact O-N 2.8Å; C169-R208 WeakPolarHBondContact CB-O 3.27Å; C169-H209 HydrophobicContact CB-CB 4.26Å; C169-H209 WeakPolarHBondContact CB-ND1 3.22Å
170T87.4Confident79.1Confident63 Ų6372 Ų7239%0.38740%0.399SS..EExtended strand (participates in β ladder)trans-95.8121.4168.544.40000110P168 R205 V206P168-T170 PolarHBondContact O-N 2.89Å; T170-R205 CarbonylContact C-O 3.53Å; T170-R205 VanDerWaalsContact CA-O 3.3Å; T170-R205 WeakPolarHBondContact CA-O 3.39Å; T170-V206 HydrophobicContact CG2-CG2 4.05Å
171Y85.9Confident79.3Confident45 Ų4568.2 Ų68.218%0.17640%0.396CS..EExtended strand (participates in β ladder)trans-147167.3-17770.2-78000113.5N152 P153 P173 G203 C204 R205N152-Y171 HydrophobicContact CB-CD1 4.4Å; N152-Y171 HydrophobicContact CB-CD2 4.13Å; N152-Y171 HydrophobicContact CB-CG 3.79Å; P153-Y171 CarbonylContact O-C 3.59Å; P153-Y171 VanDerWaalsContact O-CA 3.31Å; P153-Y171 WeakPolarHBondContact O-CA 3.3Å; P153-Y171 WeakPolarHBondContact O-CB 3.25Å; Y171-P173 HydrophobicContact CE2-CB 4.24Å; Y171-G203 VanDerWaalsContact C-CA 3.48Å; Y171-G203 CarbonylContact O-C 3.59Å; Y171-C204 PolarHBondContact O-N 3.35Å; Y171-C204 VanDerWaalsContact O-N 3.1Å; Y171-R205 PolarHBondContact N-O 2.85Å; Y171-R205 PolarHBondContact O-N 2.92Å
172H81.3Confident79.5Confident0 Ų070.8 Ų70.80%041%0.407CS..  trans-100.8108.1176.1-64.6-71.6000110.8P153 G174 W185 C187 Q201 P202 C204P153-H172 WeakPolarHBondContact CG-O 3.37Å; P153-H172 PolarHBondContact O-N 2.82Å; H172-G174 PolarHBondContact O-N 2.77Å; H172-G174 VanDerWaalsContact O-N 3.1Å; H172-W185 HydrophobicContact CB-CB 4.35Å; H172-W185 HydrophobicContact CB-CD2 3.75Å; H172-W185 HydrophobicContact CB-CE3 3.8Å; H172-W185 HydrophobicContact CB-CG 3.98Å; H172-W185 HydrophobicContact CB-CZ3 4.34Å; H172-W185 AromaticContact CD2-CD1 3.6Å; H172-W185 AromaticContact CD2-CD2 3.86Å; H172-W185 AromaticContact CD2-CE2 3.59Å; H172-W185 AromaticContact CD2-CG 3.9Å; H172-W185 AromaticContact CD2-NE1 3.44Å; H172-W185 PolarHBondContact CD2-NE1 2.9Å; H172-W185 AromaticContact CE1-CD1 3.77Å; H172-W185 AromaticContact CG-CD1 3.77Å; H172-W185 AromaticContact CG-CD2 3.78Å; H172-W185 AromaticContact CG-CG 3.67Å; H172-W185 AromaticContact ND1-CD1 3.9Å; H172-W185 AromaticContact ND1-CG 3.92Å; H172-W185 AromaticContact NE2-CD1 3.6Å; H172-W185 AromaticContact NE2-NE1 3.62Å; H172-C187 PolarHBondContact ND1-SG 2.93Å; H172-Q201 PolarHBondContact NE2-O 2.9Å; H172-P202 PolarHBondContact CE1-O 2.92Å; H172-P202 PolarHBondContact NE2-O 3.43Å; H172-P202 VanDerWaalsContact NE2-O 3.08Å; H172-C204 PolarHBondContact CE1-N 2.89Å; H172-C204 PolarHBondContact ND1-N 2.86Å
173P79.1Confident80.2Confident72 Ų7268.5 Ų68.547%0.46839%0.387SS..  trans-69.3-5.7175.430.8-35.6000113.5Y171 C187 C204 R205Y171-P173 HydrophobicContact CE2-CB 4.24Å; P173-C187 HydrophobicContact CG-CB 4.04Å; P173-C204 WeakPolarHBondContact CD-SG 3.29Å; P173-R205 HydrophobicContact CG-CB 4.29Å
174G79.4Confident80.9Confident14 Ų1463.2 Ų63.214%0.14436%0.363CS..SBendtrans-91.2165.8179.500000112.9H172 W185 S186H172-G174 PolarHBondContact O-N 2.77Å; H172-G174 VanDerWaalsContact O-N 3.1Å; G174-W185 VanDerWaalsContact O-CE3 3.25Å; G174-S186 WeakPolarHBondContact CA-OG 3.33Å
175A80.8Confident81.4Confident58 Ų5863.4 Ų63.448%0.47936%0.362SS..PPolyproline II helixtrans-88.1152.7175.100000111.7R177 S186A175-R177 PolarHBondContact O-N 2.85Å; A175-S186 PolarHBondContact N-OG 3.13Å; A175-S186 PolarHBondContact O-N 3.46Å
176P85.8Confident82.3Confident64 Ų6462.9 Ų62.942%0.41636%0.363SS..EExtended strand (participates in β ladder)trans-59.7132.9168.4-21.532.9000111.6F178 W185 F198P176-F178 HydrophobicContact CB-CE1 4.31Å; P176-F178 HydrophobicContact CB-CE2 3.86Å; P176-F178 HydrophobicContact CB-CZ 3.62Å; P176-W185 HydrophobicContact CG-CE3 4.14Å; P176-W185 HydrophobicContact CG-CH2 3.93Å; P176-W185 HydrophobicContact CG-CZ3 3.59Å; P176-F198 HydrophobicContact CB-CE1 4.29Å; P176-F198 HydrophobicContact CB-CZ 3.69Å; P176-F198 HydrophobicContact CG-CZ 4.1Å
177R83.5Confident82.7Confident134 Ų13461.2 Ų61.251%0.50635%0.346SS..EExtended strand (participates in β ladder)trans-119.2127.4171.6-74.6-159.6-80-146.7-2.3109.9A175 K183 S184A175-R177 PolarHBondContact O-N 2.85Å; R177-K183 WeakPolarHBondContact O-CA 3.43Å; R177-S184 WeakPolarHBondContact CA-O 3.13Å; R177-S184 PolarHBondContact N-O 2.88Å; R177-S184 PolarHBondContact O-N 2.78Å
178F88.3Confident82.8Confident121 Ų12159.4 Ų59.453%0.53134%0.336SS..EExtended strand (participates in β ladder)trans-122.6102.3176.6-50.5-58.5000108.4P176 M182 K183 F195 F198P176-F178 HydrophobicContact CB-CE1 4.31Å; P176-F178 HydrophobicContact CB-CE2 3.86Å; P176-F178 HydrophobicContact CB-CZ 3.62Å; F178-M182 WeakPolarHBondContact CA-O 3.2Å; F178-K183 HydrophobicContact CD1-CB 3.71Å; F178-K183 HydrophobicContact CD1-CD 4.17Å; F178-K183 HydrophobicContact CD1-CG 3.67Å; F178-K183 HydrophobicContact CE1-CB 3.84Å; F178-K183 HydrophobicContact CE1-CD 4.11Å; F178-K183 HydrophobicContact CE1-CG 4.01Å; F178-F195 HydrophobicContact CZ-CE2 4.31Å; F178-F198 HydrophobicContact CE1-CD1 4.2Å; F178-F198 AromaticContact CE1-CE1 3.99Å; F178-F198 HydrophobicContact CE1-CE1 3.99Å; F178-F198 HydrophobicContact CE1-CZ 4.17Å; F178-F198 HydrophobicContact CZ-CE1 4.01Å; F178-F198 HydrophobicContact CZ-CZ 4.31Å
179H78.3Confident82.6Confident87 Ų8757 Ų5740%0.40333%0.328SS..EExtended strand (participates in β ladder)trans-137.1141.817575.3-65.6000109.4G181 M182H179-G181 PolarHBondContact O-N 3.43Å; H179-G181 VanDerWaalsContact O-N 3.12Å; H179-M182 PolarHBondContact N-O 2.8Å; H179-M182 VanDerWaalsContact N-O 3.09Å; H179-M182 WeakPolarHBondContact O-CB 3.4Å; H179-M182 PolarHBondContact O-N 2.78Å
180E81.9Confident82.6Confident171 Ų17161.1 Ų61.180%0.79935%0.348SS*.THydrogen-bonded Turntrans57.330.1173.9-55.7-177.6-18000114.7M182E180-M182 PolarHBondContact O-N 2.88Å
181G80.8Confident82.5Confident56 Ų5663.2 Ų63.258%0.57735%0.354SS*.THydrogen-bonded Turntrans78.6-1.6-177.400000114.4H179H179-G181 PolarHBondContact O-N 3.43Å; H179-G181 VanDerWaalsContact O-N 3.12Å
182M81.8Confident82.4Confident61 Ų6162.3 Ų62.330%0.335%0.353SS..EExtended strand (participates in β ladder)trans-98.9140.1176.6-65.4159-174.400110.7F178 H179 E180 L193F178-M182 WeakPolarHBondContact CA-O 3.2Å; H179-M182 PolarHBondContact N-O 2.8Å; H179-M182 VanDerWaalsContact N-O 3.09Å; H179-M182 WeakPolarHBondContact O-CB 3.4Å; H179-M182 PolarHBondContact O-N 2.78Å; E180-M182 PolarHBondContact O-N 2.88Å; M182-L193 HydrophobicContact CG-CD2 3.97Å
183K84.4Confident82.6Confident46 Ų4668.4 Ų68.420%0.239%0.385CS..EExtended strand (participates in β ladder)trans-117.4122.6-177.3-49.3-172.7176.369.40108.7R177 F178 Q191 T192 L193 F195 F198R177-K183 WeakPolarHBondContact O-CA 3.43Å; F178-K183 HydrophobicContact CD1-CB 3.71Å; F178-K183 HydrophobicContact CD1-CD 4.17Å; F178-K183 HydrophobicContact CD1-CG 3.67Å; F178-K183 HydrophobicContact CE1-CB 3.84Å; F178-K183 HydrophobicContact CE1-CD 4.11Å; F178-K183 HydrophobicContact CE1-CG 4.01Å; K183-Q191 CarbonylContact O-C 3.58Å; K183-T192 WeakPolarHBondContact CB-O 3.39Å; K183-T192 PolarHBondContact N-O 3.33Å; K183-T192 PolarHBondContact O-N 3.39Å; K183-T192 PolarHBondContact O-OG1 3.12Å; K183-L193 PolarHBondContact NZ-O 2.86Å; K183-F195 HydrophobicContact CD-CB 4.01Å; K183-F195 HydrophobicContact CD-CD2 3.73Å; K183-F195 HydrophobicContact CD-CG 4.36Å; K183-F198 HydrophobicContact CB-CB 3.93Å; K183-F198 HydrophobicContact CB-CD2 3.89Å; K183-F198 HydrophobicContact CB-CG 3.9Å; K183-F198 HydrophobicContact CD-CB 4.24Å
184S87.9Confident82.9Confident5 Ų569.7 Ų69.74%0.03539%0.388CS..EExtended strand (participates in β ladder)trans-148.8155.6-177.262.30000112.4R177 I190R177-S184 WeakPolarHBondContact CA-O 3.13Å; R177-S184 PolarHBondContact N-O 2.88Å; R177-S184 PolarHBondContact O-N 2.78Å; S184-I190 VanDerWaalsContact CA-O 3.3Å; S184-I190 WeakPolarHBondContact CA-O 3.32Å; S184-I190 WeakPolarHBondContact CB-O 3.39Å
185W84.6Confident83.1Confident17 Ų1774 Ų746%0.06440%0.403CS..EExtended strand (participates in β ladder)trans-86141.8168.2-63.798.2000110.2P153 H172 G174 P176 C187 G189 F198P153-W185 HydrophobicContact CB-CH2 3.6Å; P153-W185 HydrophobicContact CB-CZ2 4.49Å; P153-W185 HydrophobicContact CB-CZ3 3.81Å; P153-W185 HydrophobicContact CG-CZ3 4.49Å; H172-W185 HydrophobicContact CB-CB 4.35Å; H172-W185 HydrophobicContact CB-CD2 3.75Å; H172-W185 HydrophobicContact CB-CE3 3.8Å; H172-W185 HydrophobicContact CB-CG 3.98Å; H172-W185 HydrophobicContact CB-CZ3 4.34Å; H172-W185 AromaticContact CD2-CD1 3.6Å; H172-W185 AromaticContact CD2-CD2 3.86Å; H172-W185 AromaticContact CD2-CE2 3.59Å; H172-W185 AromaticContact CD2-CG 3.9Å; H172-W185 AromaticContact CD2-NE1 3.44Å; H172-W185 PolarHBondContact CD2-NE1 2.9Å; H172-W185 AromaticContact CE1-CD1 3.77Å; H172-W185 AromaticContact CG-CD1 3.77Å; H172-W185 AromaticContact CG-CD2 3.78Å; H172-W185 AromaticContact CG-CG 3.67Å; H172-W185 AromaticContact ND1-CD1 3.9Å; H172-W185 AromaticContact ND1-CG 3.92Å; H172-W185 AromaticContact NE2-CD1 3.6Å; H172-W185 AromaticContact NE2-NE1 3.62Å; G174-W185 VanDerWaalsContact O-CE3 3.25Å; P176-W185 HydrophobicContact CG-CE3 4.14Å; P176-W185 HydrophobicContact CG-CH2 3.93Å; P176-W185 HydrophobicContact CG-CZ3 3.59Å; W185-C187 PolarHBondContact O-N 2.83Å; W185-G189 PolarHBondContact O-N 3.46Å; W185-F198 AromaticContact CD1-CE2 3.63Å; W185-F198 AromaticContact CD2-CE2 3.89Å; W185-F198 HydrophobicContact CD2-CE2 3.89Å; W185-F198 AromaticContact CD2-CZ 3.86Å; W185-F198 HydrophobicContact CD2-CZ 3.86Å; W185-F198 AromaticContact CE2-CE2 3.54Å; W185-F198 AromaticContact CE2-CZ 3.37Å; W185-F198 HydrophobicContact CE3-CZ 4.37Å; W185-F198 AromaticContact CG-CE2 3.94Å; W185-F198 HydrophobicContact CG-CE2 3.94Å; W185-F198 HydrophobicContact CG-CZ 4.4Å; W185-F198 HydrophobicContact CH2-CZ 4.07Å; W185-F198 AromaticContact CZ2-CE1 3.96Å; W185-F198 HydrophobicContact CZ2-CE1 3.96Å; W185-F198 HydrophobicContact CZ2-CE2 4.13Å; W185-F198 AromaticContact CZ2-CZ 3.49Å; W185-F198 HydrophobicContact CZ2-CZ 3.49Å; W185-F198 VanDerWaalsContact CZ2-CZ 3.49Å; W185-F198 HydrophobicContact CZ3-CZ 4.49Å; W185-F198 AromaticContact NE1-CD2 3.91Å; W185-F198 AromaticContact NE1-CE2 3.32Å; W185-F198 VanDerWaalsContact NE1-CE2 3.32Å; W185-F198 AromaticContact NE1-CZ 3.65Å
186S84.6Confident83.3Confident50 Ų5073.2 Ų73.235%0.3540%0.4SS..THydrogen-bonded Turntrans-65.8-20.7176.566.40000114G174 A175G174-S186 WeakPolarHBondContact CA-OG 3.33Å; A175-S186 PolarHBondContact N-OG 3.13Å; A175-S186 PolarHBondContact O-N 3.46Å
187C79.4Confident83.2Confident49 Ų4972.2 Ų72.233%0.33140%0.398SS..THydrogen-bonded Turntrans-75.2-38.8-178.274.80000114.2H172 P173 W185 C204H172-C187 PolarHBondContact ND1-SG 2.93Å; P173-C187 HydrophobicContact CG-CB 4.04Å; W185-C187 PolarHBondContact O-N 2.83Å; C187-C204 WeakPolarHBondContact CB-SG 3.43Å; C187-C204 WeakPolarHBondContact SG-CB 3.09Å; C187-C204 CovalentContact SG-SG 2.09Å; C187-C204 PolarHBondContact SG-SG 2.95Å
188C80.1Confident83.3Confident45 Ų4566 Ų6630%0.30438%0.375SS..THydrogen-bonded Turntrans-123.3-12.1-168.858.30000113I190 C204C188-I190 HydrophobicContact CB-CD1 4.19Å; C188-I190 HydrophobicContact CB-CG1 4.11Å; C188-I190 PolarHBondContact O-N 3.21Å; C188-I190 VanDerWaalsContact O-N 3.09Å; C188-C204 HydrophobicContact CB-CB 3.53Å
189G76.3Confident83.1Confident40 Ų4064.8 Ų64.841%0.41237%0.373SS..  trans65.91217400000114.7W185 Q191W185-G189 PolarHBondContact O-N 3.46Å; G189-Q191 PolarHBondContact O-N 2.91Å; G189-Q191 VanDerWaalsContact O-N 3.13Å
190I83.3Confident83.4Confident85 Ų8564.1 Ų64.144%0.43638%0.383SS..  trans-69.6110.2179.8-55.5172.1000108.5S184 C188 Q201S184-I190 VanDerWaalsContact CA-O 3.3Å; S184-I190 WeakPolarHBondContact CA-O 3.32Å; S184-I190 WeakPolarHBondContact CB-O 3.39Å; C188-I190 HydrophobicContact CB-CD1 4.19Å; C188-I190 HydrophobicContact CB-CG1 4.11Å; C188-I190 PolarHBondContact O-N 3.21Å; C188-I190 VanDerWaalsContact O-N 3.09Å; I190-Q201 PolarHBondContact O-NE2 3.1Å; I190-Q201 VanDerWaalsContact O-NE2 3.09Å
191Q85Confident83.4Confident108 Ų10856.5 Ų56.551%0.50535%0.347SS..  trans-87.7134.3-179.2-66.1-178.9-13.700111.2K183 G189K183-Q191 CarbonylContact O-C 3.58Å; G189-Q191 PolarHBondContact O-N 2.91Å; G189-Q191 VanDerWaalsContact O-N 3.13Å
192T84.8Confident83.5Confident25 Ų2558.6 Ų58.615%0.15335%0.35CS..BIsolated β-bridgetrans-131.4144173.943.40000110K183 A197 F198 Q201K183-T192 WeakPolarHBondContact CB-O 3.39Å; K183-T192 PolarHBondContact N-O 3.33Å; K183-T192 PolarHBondContact O-N 3.39Å; K183-T192 PolarHBondContact O-OG1 3.12Å; T192-A197 HydrophobicContact CG2-CB 3.98Å; T192-F198 WeakPolarHBondContact OG1-CA 3.3Å; T192-F198 WeakPolarHBondContact OG1-CB 3.5Å; T192-Q201 HydrophobicContact CG2-CG 4.48Å; T192-Q201 PolarHBondContact OG1-NE2 3.24Å
193L84.2Confident83.7Confident129 Ų12956.4 Ų56.468%0.67534%0.344SS*.SBendtrans-85.1-36.1175.3-64.9165.6000110.5M182 K183M182-L193 HydrophobicContact CG-CD2 3.97Å; K183-L193 PolarHBondContact NZ-O 2.86Å
194D85.5Confident83.7Confident99 Ų9957 Ų5753%0.52935%0.353SS..SBendtrans-87.2140.7-179.8-179.657.3000112.7G196 A197 F198D194-G196 VanDerWaalsContact OD2-CA 3.29Å; D194-G196 WeakPolarHBondContact OD2-CA 3.26Å; D194-G196 PolarHBondContact OD2-N 3.1Å; D194-A197 HydrophobicContact CB-CB 3.95Å; D194-A197 PolarHBondContact OD2-N 2.85Å; D194-F198 PolarHBondContact O-N 3.06Å; D194-F198 VanDerWaalsContact O-N 3.14Å
195F83.3Confident83.4Confident104 Ų10463.6 Ų63.646%0.45638%0.377SS..Hα-helixtrans-74.3-34.8179.9-172-103.8000112.5F178 K183 F198 L199F178-F195 HydrophobicContact CZ-CE2 4.31Å; K183-F195 HydrophobicContact CD-CB 4.01Å; K183-F195 HydrophobicContact CD-CD2 3.73Å; K183-F195 HydrophobicContact CD-CG 4.36Å; F195-F198 HydrophobicContact CD2-CD1 4.35Å; F195-F198 HydrophobicContact CE2-CD1 4.21Å; F195-F198 WeakPolarHBondContact O-CB 3.43Å; F195-F198 PolarHBondContact O-N 3.38Å; F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CD1-CG 4.37Å; F195-L199 HydrophobicContact CE1-CD1 3.47Å; F195-L199 VanDerWaalsContact CE1-CD1 3.47Å; F195-L199 HydrophobicContact CE1-CG 4Å; F195-L199 HydrophobicContact CZ-CD1 4.08Å; F195-L199 HydrophobicContact CZ-CD2 4.31Å; F195-L199 HydrophobicContact CZ-CG 4.22Å; F195-L199 PolarHBondContact O-N 3.43Å; F195-L199 VanDerWaalsContact O-N 3.1Å
196G85.4Confident83.4Confident41 Ų4167.4 Ų67.442%0.42340%0.402SS..Hα-helixtrans-64.8-44.5174.700000111D194 F198 L199 A200D194-G196 VanDerWaalsContact OD2-CA 3.29Å; D194-G196 WeakPolarHBondContact OD2-CA 3.26Å; D194-G196 PolarHBondContact OD2-N 3.1Å; G196-F198 VanDerWaalsContact C-N 3.28Å; G196-F198 PolarHBondContact O-N 3.32Å; G196-L199 PolarHBondContact O-N 3Å; G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 2.96Å
197A83.8Confident83.2Confident44 Ų4466.3 Ų66.336%0.36440%0.398SS..Hα-helixtrans-60.9-34.617400000113T192 D194 Q201T192-A197 HydrophobicContact CG2-CB 3.98Å; D194-A197 HydrophobicContact CB-CB 3.95Å; D194-A197 PolarHBondContact OD2-N 2.85Å; A197-Q201 WeakPolarHBondContact O-CG 3.48Å; A197-Q201 PolarHBondContact O-N 2.93Å
198F86.3Confident83.1Confident4 Ų471.3 Ų71.32%0.01841%0.41CS..Hα-helixtrans-64.8-46.8174.5169-103.5000112.6P176 F178 K183 W185 T192 D194 F195 G196 A200 Q201P176-F198 HydrophobicContact CB-CE1 4.29Å; P176-F198 HydrophobicContact CB-CZ 3.69Å; P176-F198 HydrophobicContact CG-CZ 4.1Å; F178-F198 HydrophobicContact CE1-CD1 4.2Å; F178-F198 AromaticContact CE1-CE1 3.99Å; F178-F198 HydrophobicContact CE1-CE1 3.99Å; F178-F198 HydrophobicContact CE1-CZ 4.17Å; F178-F198 HydrophobicContact CZ-CE1 4.01Å; F178-F198 HydrophobicContact CZ-CZ 4.31Å; K183-F198 HydrophobicContact CB-CB 3.93Å; K183-F198 HydrophobicContact CB-CD2 3.89Å; K183-F198 HydrophobicContact CB-CG 3.9Å; K183-F198 HydrophobicContact CD-CB 4.24Å; W185-F198 AromaticContact CD1-CE2 3.63Å; W185-F198 AromaticContact CD2-CE2 3.89Å; W185-F198 HydrophobicContact CD2-CE2 3.89Å; W185-F198 AromaticContact CD2-CZ 3.86Å; W185-F198 HydrophobicContact CD2-CZ 3.86Å; W185-F198 AromaticContact CE2-CE2 3.54Å; W185-F198 AromaticContact CE2-CZ 3.37Å; W185-F198 HydrophobicContact CE3-CZ 4.37Å; W185-F198 AromaticContact CG-CE2 3.94Å; W185-F198 HydrophobicContact CG-CE2 3.94Å; W185-F198 HydrophobicContact CG-CZ 4.4Å; W185-F198 HydrophobicContact CH2-CZ 4.07Å; W185-F198 AromaticContact CZ2-CE1 3.96Å; W185-F198 HydrophobicContact CZ2-CE1 3.96Å; W185-F198 HydrophobicContact CZ2-CE2 4.13Å; W185-F198 AromaticContact CZ2-CZ 3.49Å; W185-F198 HydrophobicContact CZ2-CZ 3.49Å; W185-F198 VanDerWaalsContact CZ2-CZ 3.49Å; W185-F198 HydrophobicContact CZ3-CZ 4.49Å; W185-F198 AromaticContact NE1-CD2 3.91Å; W185-F198 AromaticContact NE1-CE2 3.32Å; W185-F198 VanDerWaalsContact NE1-CE2 3.32Å; W185-F198 AromaticContact NE1-CZ 3.65Å; T192-F198 WeakPolarHBondContact OG1-CA 3.3Å; T192-F198 WeakPolarHBondContact OG1-CB 3.5Å; D194-F198 PolarHBondContact O-N 3.06Å; D194-F198 VanDerWaalsContact O-N 3.14Å; F195-F198 HydrophobicContact CD2-CD1 4.35Å; F195-F198 HydrophobicContact CE2-CD1 4.21Å; F195-F198 WeakPolarHBondContact O-CB 3.43Å; F195-F198 PolarHBondContact O-N 3.38Å; G196-F198 VanDerWaalsContact C-N 3.28Å; G196-F198 PolarHBondContact O-N 3.32Å; F198-A200 VanDerWaalsContact C-N 3.34Å; F198-Q201 WeakPolarHBondContact O-CB 3.34Å; F198-Q201 WeakPolarHBondContact O-CG 3.23Å; F198-Q201 PolarHBondContact O-N 2.86Å
199L83.4Confident82.9Confident94 Ų9470.1 Ų70.149%0.49240%0.4SS..Hα-helixtrans-67-36178.2-70.7177.3000112.1F195 G196 Q201F195-L199 HydrophobicContact CD1-CD1 3.95Å; F195-L199 HydrophobicContact CD1-CG 4.37Å; F195-L199 HydrophobicContact CE1-CD1 3.47Å; F195-L199 VanDerWaalsContact CE1-CD1 3.47Å; F195-L199 HydrophobicContact CE1-CG 4Å; F195-L199 HydrophobicContact CZ-CD1 4.08Å; F195-L199 HydrophobicContact CZ-CD2 4.31Å; F195-L199 HydrophobicContact CZ-CG 4.22Å; F195-L199 PolarHBondContact O-N 3.43Å; F195-L199 VanDerWaalsContact O-N 3.1Å; G196-L199 PolarHBondContact O-N 3Å; L199-Q201 PolarHBondContact O-N 2.75Å
200A83.9Confident82.9Confident74 Ų7470.4 Ų70.461%0.61239%0.392SS*.THydrogen-bonded Turntrans-77.91.5179.100000114.2G196 F198G196-A200 WeakPolarHBondContact O-CB 3.41Å; G196-A200 PolarHBondContact O-N 2.96Å; F198-A200 VanDerWaalsContact C-N 3.34Å
201Q83.1Confident82.4Confident11 Ų1166.9 Ų66.95%0.05137%0.373CS..PPolyproline II helixtrans-67.1122.3179.1-67.7-172.7-3.200110.3H172 I190 T192 A197 F198 L199 G203H172-Q201 PolarHBondContact NE2-O 2.9Å; I190-Q201 PolarHBondContact O-NE2 3.1Å; I190-Q201 VanDerWaalsContact O-NE2 3.09Å; T192-Q201 HydrophobicContact CG2-CG 4.48Å; T192-Q201 PolarHBondContact OG1-NE2 3.24Å; A197-Q201 WeakPolarHBondContact O-CG 3.48Å; A197-Q201 PolarHBondContact O-N 2.93Å; F198-Q201 WeakPolarHBondContact O-CB 3.34Å; F198-Q201 WeakPolarHBondContact O-CG 3.23Å; F198-Q201 PolarHBondContact O-N 2.86Å; L199-Q201 PolarHBondContact O-N 2.75Å; Q201-G203 PolarHBondContact O-N 2.75Å
202P83.6Confident81.5Confident100 Ų10062.4 Ų62.465%0.64936%0.356SS*.PPolyproline II helixtrans-61.9141178.827.1-34.4000110.4H172H172-P202 PolarHBondContact CE1-O 2.92Å; H172-P202 PolarHBondContact NE2-O 3.43Å; H172-P202 VanDerWaalsContact NE2-O 3.08Å
203G84.9Confident80.4Confident15 Ų1566 Ų6616%0.15537%0.369CS..PPolyproline II helixtrans-52.9138.218000000113.9Y171 Q201Y171-G203 VanDerWaalsContact C-CA 3.48Å; Y171-G203 CarbonylContact O-C 3.59Å; Q201-G203 PolarHBondContact O-N 2.75Å
204C84.6Confident79.4Confident58 Ų5865 Ų6539%0.39236%0.361SS..SBendtrans-81.7-11.8-177.971.80000113.9Y171 H172 P173 C187 C188Y171-C204 PolarHBondContact O-N 3.35Å; Y171-C204 VanDerWaalsContact O-N 3.1Å; H172-C204 PolarHBondContact CE1-N 2.89Å; H172-C204 PolarHBondContact ND1-N 2.86Å; P173-C204 WeakPolarHBondContact CD-SG 3.29Å; C187-C204 WeakPolarHBondContact CB-SG 3.43Å; C187-C204 WeakPolarHBondContact SG-CB 3.09Å; C187-C204 CovalentContact SG-SG 2.09Å; C187-C204 PolarHBondContact SG-SG 2.95Å; C188-C204 HydrophobicContact CB-CB 3.53Å
205R81.8Confident78.6Confident144 Ų14463.5 Ų63.554%0.54335%0.353SS..EExtended strand (participates in β ladder)trans-131.2144.6-179.4-172.4173.7-177.6179.5-0.5110.8T170 Y171 P173T170-R205 CarbonylContact C-O 3.53Å; T170-R205 VanDerWaalsContact CA-O 3.3Å; T170-R205 WeakPolarHBondContact CA-O 3.39Å; Y171-R205 PolarHBondContact N-O 2.85Å; Y171-R205 PolarHBondContact O-N 2.92Å; P173-R205 HydrophobicContact CG-CB 4.29Å
206V83.9Confident78.1Confident97 Ų9764.3 Ų64.359%0.58837%0.369SS*.EExtended strand (participates in β ladder)trans-100.4132.8175.4-171.40000109.4P168 C169 T170P168-V206 HydrophobicContact CB-CG1 3.58Å; P168-V206 HydrophobicContact CG-CG1 4.25Å; C169-V206 CarbonylContact O-C 3.46Å; C169-V206 WeakPolarHBondContact O-CA 3.33Å; T170-V206 HydrophobicContact CG2-CG2 4.05Å
207G80.4Confident77.7Confident26 Ų2663.1 Ų63.127%0.26836%0.355SS..EExtended strand (participates in β ladder)trans-158.4-156.1177.100000112.1C169C169-G207 WeakPolarHBondContact CB-O 3.44Å; C169-G207 PolarHBondContact N-O 2.77Å; C169-G207 PolarHBondContact O-N 2.8Å
208R77.6Confident77.4Confident154 Ų15467.4 Ų67.458%0.58138%0.382SS*.  trans-96.4156174.3-70.2-176.4-179.2-92.74.9111N152 C169N152-R208 PolarHBondContact ND2-O 3.16Å; C169-R208 WeakPolarHBondContact CB-O 3.27Å
209H74.9Confident77.2Confident20 Ų2068.1 Ų68.19%0.09339%0.387CS..  trans-71.8141.8177.7-69.1-78.3000110.9C155 A157 S164 T167 C169 W211C155-H209 PolarHBondContact SG-CE1 2.77Å; C155-H209 PolarHBondContact SG-ND1 3.18Å; A157-H209 WeakPolarHBondContact CB-CE1 3.49Å; S164-H209 PolarHBondContact O-CD2 3.14Å; T167-H209 PolarHBondContact O-CD2 3.41Å; T167-H209 VanDerWaalsContact O-CD2 3.26Å; T167-H209 PolarHBondContact O-NE2 3.39Å; T167-H209 VanDerWaalsContact O-NE2 3.08Å; C169-H209 HydrophobicContact CB-CB 4.26Å; C169-H209 WeakPolarHBondContact CB-ND1 3.22Å; H209-W211 HydrophobicContact CB-CD2 3.73Å; H209-W211 HydrophobicContact CB-CE3 4.27Å; H209-W211 HydrophobicContact CB-CG 4.34Å; H209-W211 HydrophobicContact CB-CH2 3.82Å; H209-W211 HydrophobicContact CB-CZ2 3.17Å; H209-W211 HydrophobicContact CB-CZ3 4.31Å; H209-W211 AromaticContact CD2-CZ2 3.43Å; H209-W211 VanDerWaalsContact CD2-CZ2 3.43Å; H209-W211 WeakPolarHBondContact CD2-CZ2 3.5Å; H209-W211 AromaticContact CG-CE2 3.7Å; H209-W211 AromaticContact CG-CH2 3.57Å; H209-W211 AromaticContact CG-CZ2 3.16Å; H209-W211 AromaticContact ND1-CH2 3.65Å; H209-W211 AromaticContact ND1-CZ2 3.76Å
210D76.2Confident77.5Confident47 Ų4772.1 Ų72.125%0.25140%0.396SS..  trans-99.699169.2-178.13.6000109C150 Q151 N152 G212C150-D210 CarbonylContact C-O 3.52Å; C150-D210 WeakPolarHBondContact CA-O 3.41Å; C150-D210 PolarHBondContact SG-N 2.91Å; Q151-D210 HydrophobicContact CB-CB 4.26Å; Q151-D210 PolarHBondContact N-O 3.41Å; N152-D210 PolarHBondContact ND2-N 2.77Å; D210-G212 PolarHBondContact OD1-N 2.75Å; D210-G212 VanDerWaalsContact OD1-N 3.15Å
211W74.6Confident77.8Confident11 Ų1173.3 Ų73.34%0.04239%0.388CS..  trans-93.4-3.9-178.5-52.3119.1000113.8I144 C150 A157 Y159 D165 H209 K213I144-W211 HydrophobicContact CD1-CB 3.84Å; I144-W211 HydrophobicContact CD1-CG 4.32Å; I144-W211 HydrophobicContact CG1-CB 4.23Å; I144-W211 HydrophobicContact CG2-CB 3.7Å; I144-W211 HydrophobicContact CG2-CG 4.45Å; C150-W211 HydrophobicContact CB-CE3 4.19Å; C150-W211 HydrophobicContact CB-CH2 4.48Å; C150-W211 HydrophobicContact CB-CZ3 3.85Å; A157-W211 HydrophobicContact CB-CH2 3.67Å; A157-W211 HydrophobicContact CB-CZ3 4.17Å; A157-W211 WeakPolarHBondContact O-CZ3 3.43Å; Y159-W211 HydrophobicContact CD2-CB 4.49Å; Y159-W211 AromaticContact CD2-CD1 3.76Å; Y159-W211 AromaticContact CD2-CD2 3.72Å; Y159-W211 HydrophobicContact CD2-CD2 3.72Å; Y159-W211 AromaticContact CD2-CE2 3.61Å; Y159-W211 HydrophobicContact CD2-CE3 4.39Å; Y159-W211 AromaticContact CD2-CG 3.78Å; Y159-W211 HydrophobicContact CD2-CG 3.78Å; Y159-W211 HydrophobicContact CD2-CZ2 4.17Å; Y159-W211 AromaticContact CD2-NE1 3.65Å; Y159-W211 HydrophobicContact CE2-CG 4.44Å; Y159-W211 HydrophobicContact CG-CD2 4.22Å; Y159-W211 HydrophobicContact CG-CG 4.34Å; Y159-W211 VanDerWaalsContact N-CZ3 3.3Å; D165-W211 PolarHBondContact OD1-NE1 2.73Å; H209-W211 HydrophobicContact CB-CD2 3.73Å; H209-W211 HydrophobicContact CB-CE3 4.27Å; H209-W211 HydrophobicContact CB-CG 4.34Å; H209-W211 HydrophobicContact CB-CH2 3.82Å; H209-W211 HydrophobicContact CB-CZ2 3.17Å; H209-W211 HydrophobicContact CB-CZ3 4.31Å; H209-W211 AromaticContact CD2-CZ2 3.43Å; H209-W211 VanDerWaalsContact CD2-CZ2 3.43Å; H209-W211 WeakPolarHBondContact CD2-CZ2 3.5Å; H209-W211 AromaticContact CG-CE2 3.7Å; H209-W211 AromaticContact CG-CH2 3.57Å; H209-W211 AromaticContact CG-CZ2 3.16Å; H209-W211 AromaticContact ND1-CH2 3.65Å; H209-W211 AromaticContact ND1-CZ2 3.76Å; W211-K213 PolarHBondContact O-N 2.81Å; W211-K213 VanDerWaalsContact O-N 3.12Å
212G64.1Low78.2Confident13 Ų1376.1 Ų76.113%0.13440%0.404CS..  trans-69.7115-164.500000111.2D210 Q214 N262D210-G212 PolarHBondContact OD1-N 2.75Å; D210-G212 VanDerWaalsContact OD1-N 3.15Å; G212-Q214 PolarHBondContact O-N 3.15Å; G212-N262 VanDerWaalsContact CA-ND2 3.28Å; G212-N262 WeakPolarHBondContact CA-ND2 3.33Å; G212-N262 PolarHBondContact O-ND2 3.01Å
213K63.6Low78.6Confident100 Ų10074.9 Ų74.944%0.43539%0.386SS..  trans-62.5136.5163.8-70.5-170.5-179.7-169.20108.6S148 W211 L215S148-K213 WeakPolarHBondContact OG-CE 3.21Å; W211-K213 PolarHBondContact O-N 2.81Å; W211-K213 VanDerWaalsContact O-N 3.12Å; K213-L215 PolarHBondContact O-N 3.01Å; K213-L215 VanDerWaalsContact O-N 3.12Å
214Q62.7Low78.9Confident108 Ų10878.8 Ų78.851%0.50540%0.4SS..  trans-62.3115.6170-74.3-165.6-22.400109.1G212 N262 V264G212-Q214 PolarHBondContact O-N 3.15Å; Q214-N262 CarbonylContact C-O 3.53Å; Q214-N262 WeakPolarHBondContact CA-O 3.33Å; Q214-V264 HydrophobicContact CB-CB 4.5Å; Q214-V264 HydrophobicContact CB-CG2 3.54Å; Q214-V264 VanDerWaalsContact CD-CG2 3.46Å; Q214-V264 HydrophobicContact CG-CG2 3.61Å
215L69Low79.2Confident68 Ų6878.8 Ų78.836%0.35640%0.395SS..EExtended strand (participates in β ladder)trans-92.5123.9178-68.3172.2000108.3L143 K213 A217 N262 R263 V264L143-L215 HydrophobicContact CD1-CD1 4.44Å; K213-L215 PolarHBondContact O-N 3.01Å; K213-L215 VanDerWaalsContact O-N 3.12Å; L215-A217 PolarHBondContact O-N 3.37Å; L215-N262 PolarHBondContact N-O 3.49Å; L215-R263 CarbonylContact O-C 3.57Å; L215-R263 WeakPolarHBondContact O-CA 3.47Å; L215-V264 PolarHBondContact O-N 2.81Å
216P73Confident79.5Confident122 Ų12275.7 Ų75.779%0.79239%0.392SS*.EExtended strand (participates in β ladder)trans-61.1127.1175.224.9-31.6000109.4
217A76.9Confident79.4Confident16 Ų1677 Ų7713%0.13240%0.395CS..  trans-106.6120.8-179.500000109.9L215 C219 R263 V264L215-A217 PolarHBondContact O-N 3.37Å; A217-C219 VanDerWaalsContact C-N 3.25Å; A217-C219 PolarHBondContact O-N 3.3Å; A217-R263 HydrophobicContact CB-CB 3.87Å; A217-R263 HydrophobicContact CB-CG 4.44Å; A217-V264 PolarHBondContact N-O 2.77Å
218S77.4Confident79.7Confident134 Ų13478.8 Ų78.894%0.93740%0.404SS*.  trans-75.881.3167.1-179.60000109.1
219C82.3Confident80.3Confident19 Ų1973.7 Ų73.713%0.12839%0.388CS..  trans-79.4133.6176.8-640000110.7A217 H221 V234 Y235 F259 F265A217-C219 VanDerWaalsContact C-N 3.25Å; A217-C219 PolarHBondContact O-N 3.3Å; C219-H221 PolarHBondContact O-N 3.49Å; C219-V234 HydrophobicContact CB-CG1 3.92Å; C219-Y235 WeakPolarHBondContact CB-O 3.34Å; C219-F259 VanDerWaalsContact SG-CE2 3.51Å; C219-F265 HydrophobicContact CB-CB 4.33Å; C219-F265 HydrophobicContact CB-CD2 3.53Å; C219-F265 HydrophobicContact CB-CE2 4.01Å; C219-F265 HydrophobicContact CB-CG 4.05Å
220R87.8Confident81.1Confident178 Ų17872.7 Ų72.767%0.67238%0.384SS*.  trans-61.5133.7163.6-178.9178.1173.6-178.4-2.6108.1Y235R220-Y235 HydrophobicContact CB-CD2 4.39Å; R220-Y235 HydrophobicContact CG-CD2 4.16Å; R220-Y235 WeakPolarHBondContact O-CD2 3.23Å; R220-Y235 PolarHBondContact O-N 2.88Å
221H90.4Very high82Confident98 Ų9870.8 Ų70.845%0.45437%0.374SS..EExtended strand (participates in β ladder)trans-132.7150.7170.460.1-81.6000109.2C219 T233 V234 F265C219-H221 PolarHBondContact O-N 3.49Å; H221-T233 CarbonylContact C-O 3.58Å; H221-T233 WeakPolarHBondContact CA-O 3.46Å; H221-T233 WeakPolarHBondContact CB-O 3.39Å; H221-V234 HydrophobicContact CB-CG2 4.18Å; H221-F265 AromaticContact ND1-CZ 3.99Å
222D91.7Very high82.9Confident70 Ų7070.3 Ų70.337%0.37437%0.372SS..EExtended strand (participates in β ladder)trans-137163.7179.2-157-13.6000108.8T233 Y235D222-T233 PolarHBondContact N-O 3.07Å; D222-T233 PolarHBondContact O-N 2.86Å; D222-Y235 HydrophobicContact CB-CE2 4.04Å
223W93.3Very high84.3Confident75 Ų7569.9 Ų69.928%0.28437%0.367SS..EExtended strand (participates in β ladder)trans-141.8143.4174.772.5-72.6000110.6Q225 V230 V231 V232 L304W223-Q225 HydrophobicContact CZ3-CB 4.33Å; W223-Q225 HydrophobicContact CZ3-CG 4.3Å; W223-V230 HydrophobicContact CE3-CG1 4.2Å; W223-V231 CarbonylContact C-O 2.96Å; W223-V231 VanDerWaalsContact CA-O 3.23Å; W223-V231 WeakPolarHBondContact CA-O 3.31Å; W223-V232 HydrophobicContact CB-CG2 4.29Å; W223-L304 HydrophobicContact CB-CD1 4.48Å; W223-L304 HydrophobicContact CB-CD2 3.99Å; W223-L304 HydrophobicContact CD2-CB 3.75Å; W223-L304 HydrophobicContact CD2-CD1 4.35Å; W223-L304 HydrophobicContact CD2-CG 4.44Å; W223-L304 HydrophobicContact CE3-CB 4.17Å; W223-L304 HydrophobicContact CE3-CD1 4.22Å; W223-L304 HydrophobicContact CG-CB 4Å; W223-L304 HydrophobicContact CG-CD1 4.46Å; W223-L304 HydrophobicContact CG-CD2 3.97Å; W223-L304 HydrophobicContact CG-CG 4.37Å; W223-L304 HydrophobicContact CZ2-CB 4.31Å
224H91.4Very high85.7Confident97 Ų9765.2 Ų65.245%0.44935%0.347SS..EExtended strand (participates in β ladder)trans-135.1165.3171.264.892.5000109.5V231H224-V231 PolarHBondContact N-O 2.87Å; H224-V231 WeakPolarHBondContact NE2-CB 3.31Å; H224-V231 PolarHBondContact O-N 3.44Å
225Q90.4Very high87Confident57 Ų5764.3 Ų64.327%0.26634%0.339SS..EExtended strand (participates in β ladder)trans-139.8151.4-178.565.9177.7-3700111.9W223 L229 V230 S300 W301W223-Q225 HydrophobicContact CZ3-CB 4.33Å; W223-Q225 HydrophobicContact CZ3-CG 4.3Å; Q225-L229 CarbonylContact C-O 3.55Å; Q225-L229 WeakPolarHBondContact CA-O 3.49Å; Q225-V230 HydrophobicContact CB-CG2 4.44Å; Q225-S300 PolarHBondContact NE2-OG 3.12Å; Q225-W301 PolarHBondContact NE2-O 2.97Å
226T88.6Confident87.9Confident79 Ų7961.8 Ų61.849%0.48533%0.33SS..  trans-113.5177164.8-48.80000107.4S228 L229 K295T226-S228 PolarHBondContact O-N 2.99Å; T226-S228 VanDerWaalsContact O-N 3.16Å; T226-L229 PolarHBondContact N-O 2.67Å; T226-K295 PolarHBondContact O-NZ 2.88Å
227D82.2Confident88.5Confident124 Ų12463.4 Ų63.466%0.66333%0.327SS*.SBendtrans-55.4-35.1179.5-64.6-24.8000113.4P298 G299D227-P298 WeakPolarHBondContact O-CA 3.3Å; D227-G299 PolarHBondContact O-N 2.85Å; D227-G299 VanDerWaalsContact O-N 3.07Å
228S85.4Confident88.8Confident65 Ų6564.1 Ų64.146%0.45533%0.328SS..SBendtrans-116.2-8.2-175.456.80000115.1T226 K295T226-S228 PolarHBondContact O-N 2.99Å; T226-S228 VanDerWaalsContact O-N 3.16Å; S228-K295 WeakPolarHBondContact O-CB 3.46Å; S228-K295 PolarHBondContact O-N 3.44Å
229L90.1Very high89.3Confident46 Ų4657.7 Ų57.724%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-131140.3-173-169.272.9000110.8Q225 T226 V231 L293 V294Q225-L229 CarbonylContact C-O 3.55Å; Q225-L229 WeakPolarHBondContact CA-O 3.49Å; T226-L229 PolarHBondContact N-O 2.67Å; L229-V231 HydrophobicContact CD2-CG2 3.47Å; L229-V231 VanDerWaalsContact CD2-CG2 3.47Å; L229-V231 HydrophobicContact CG-CG2 3.84Å; L229-L293 WeakPolarHBondContact CD1-O 3.47Å; L229-V294 HydrophobicContact CD1-CG2 3.85Å
230V92.8Very high89.3Confident0 Ų058.7 Ų58.70%029%0.287CS..EExtended strand (participates in β ladder)trans-113.3127.3164.4-178.90000107.3W223 Q225 V232 L293 K295 W301 L304W223-V230 HydrophobicContact CE3-CG1 4.2Å; Q225-V230 HydrophobicContact CB-CG2 4.44Å; V230-V232 HydrophobicContact CG1-CG2 4.46Å; V230-L293 HydrophobicContact CB-CB 4.35Å; V230-L293 PolarHBondContact N-O 2.82Å; V230-L293 WeakPolarHBondContact O-CA 3.31Å; V230-L293 PolarHBondContact O-N 3.03Å; V230-K295 HydrophobicContact CG2-CD 4.15Å; V230-K295 HydrophobicContact CG2-CG 3.92Å; V230-W301 HydrophobicContact CG2-CD2 3.93Å; V230-W301 HydrophobicContact CG2-CE3 3.89Å; V230-W301 HydrophobicContact CG2-CH2 4.13Å; V230-W301 HydrophobicContact CG2-CZ2 4.17Å; V230-W301 HydrophobicContact CG2-CZ3 3.99Å; V230-L304 HydrophobicContact CG1-CD1 3.67Å
231V93.9Very high88.9Confident7 Ų751.7 Ų51.74%0.04227%0.265CS..EExtended strand (participates in β ladder)trans-115.3123.3177.3-176.60000108.3W223 H224 L229 E290 I291W223-V231 CarbonylContact C-O 2.96Å; W223-V231 VanDerWaalsContact CA-O 3.23Å; W223-V231 WeakPolarHBondContact CA-O 3.31Å; H224-V231 PolarHBondContact N-O 2.87Å; H224-V231 WeakPolarHBondContact NE2-CB 3.31Å; H224-V231 PolarHBondContact O-N 3.44Å; L229-V231 HydrophobicContact CD2-CG2 3.47Å; L229-V231 VanDerWaalsContact CD2-CG2 3.47Å; L229-V231 HydrophobicContact CG-CG2 3.84Å; V231-E290 HydrophobicContact CG1-CB 4.24Å; V231-E290 HydrophobicContact CG1-CG 4.26Å; V231-I291 CarbonylContact C-O 3.51Å; V231-I291 WeakPolarHBondContact CA-O 3.38Å
232V94Very high88.3Confident1 Ų151.2 Ų51.21%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-106.4120.4174-176.80000108.1W223 V230 M269 I291 L304W223-V232 HydrophobicContact CB-CG2 4.29Å; V230-V232 HydrophobicContact CG1-CG2 4.46Å; V232-M269 HydrophobicContact CG1-CE 4.42Å; V232-I291 HydrophobicContact CB-CB 4.3Å; V232-I291 PolarHBondContact N-O 3.31Å; V232-I291 PolarHBondContact O-N 3.45Å; V232-L304 HydrophobicContact CG2-CD1 3.87Å; V232-L304 HydrophobicContact CG2-CD2 3.9Å
233T93.7Very high87.6Confident4 Ų453.5 Ų53.53%0.02529%0.285CS..EExtended strand (participates in β ladder)trans-108.9118.6-176.8-54.90000109.4H221 D222 Y235 R288 V289 E290H221-T233 CarbonylContact C-O 3.58Å; H221-T233 WeakPolarHBondContact CA-O 3.46Å; H221-T233 WeakPolarHBondContact CB-O 3.39Å; D222-T233 PolarHBondContact N-O 3.07Å; D222-T233 PolarHBondContact O-N 2.86Å; T233-Y235 HydrophobicContact CG2-CD2 4.46Å; T233-Y235 HydrophobicContact CG2-CE1 4.16Å; T233-Y235 HydrophobicContact CG2-CE2 3.99Å; T233-R288 HydrophobicContact CG2-CB 4.02Å; T233-R288 HydrophobicContact CG2-CG 4.47Å; T233-V289 CarbonylContact C-O 3.57Å; T233-V289 WeakPolarHBondContact CA-O 3.39Å; T233-E290 HydrophobicContact CG2-CG 4.08Å
234V92.9Very high87.3Confident2 Ų250.5 Ų50.51%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-103.1122.4173.2-175.40000108.3C219 H221 I257 F259 F265 R288 V289C219-V234 HydrophobicContact CB-CG1 3.92Å; H221-V234 HydrophobicContact CB-CG2 4.18Å; V234-I257 HydrophobicContact CB-CD1 3.99Å; V234-I257 HydrophobicContact CG1-CD1 4.13Å; V234-I257 HydrophobicContact CG2-CD1 4.02Å; V234-F259 HydrophobicContact CG1-CE2 4.5Å; V234-F259 HydrophobicContact CG1-CZ 4.14Å; V234-F265 HydrophobicContact CB-CE1 4.47Å; V234-F265 HydrophobicContact CG1-CD1 3.7Å; V234-F265 HydrophobicContact CG1-CD2 4.47Å; V234-F265 HydrophobicContact CG1-CE1 3.82Å; V234-F265 HydrophobicContact CG1-CG 4.03Å; V234-F265 HydrophobicContact CG1-CZ 4.25Å; V234-F265 HydrophobicContact CG2-CD1 4.26Å; V234-F265 HydrophobicContact CG2-CE1 3.76Å; V234-F265 HydrophobicContact CG2-CZ 4.39Å; V234-R288 CarbonylContact O-C 3.52Å; V234-R288 VanDerWaalsContact O-CA 3.27Å; V234-R288 WeakPolarHBondContact O-CA 3.5Å; V234-V289 HydrophobicContact CB-CB 4.5Å; V234-V289 PolarHBondContact N-O 3.47Å; V234-V289 PolarHBondContact O-N 3.23Å
235Y90.6Very high87Confident88 Ų8849.6 Ų49.635%0.34527%0.266SS..EExtended strand (participates in β ladder)trans-89130.9-179.5-63.7-88.9000110.6C219 R220 D222 T233 R288C219-Y235 WeakPolarHBondContact CB-O 3.34Å; R220-Y235 HydrophobicContact CB-CD2 4.39Å; R220-Y235 HydrophobicContact CG-CD2 4.16Å; R220-Y235 WeakPolarHBondContact O-CD2 3.23Å; R220-Y235 PolarHBondContact O-N 2.88Å; D222-Y235 HydrophobicContact CB-CE2 4.04Å; T233-Y235 HydrophobicContact CG2-CD2 4.46Å; T233-Y235 HydrophobicContact CG2-CE1 4.16Å; T233-Y235 HydrophobicContact CG2-CE2 3.99Å; Y235-R288 HydrophobicContact CD1-CB 4.23Å
236G86.6Confident87Confident16 Ų1646.9 Ų46.917%0.16525%0.254CS..  trans179.1149.5177.900000110.9S287 R288G236-S287 PolarHBondContact N-O 2.94Å; G236-S287 VanDerWaalsContact N-O 3.16Å; G236-S287 CarbonylContact O-C 3.53Å; G236-S287 WeakPolarHBondContact O-CA 3.44Å; G236-S287 VanDerWaalsContact O-O 3.04Å; G236-R288 PolarHBondContact O-N 3.17Å
237Q86.3Confident87.1Confident155 Ų15546.6 Ų46.672%0.72425%0.246SC*.SBendtrans-86.2131.9-174.8-64.1-172.825.900110.9D260Q237-D260 PolarHBondContact O-N 2.71Å
238I83.3Confident87.4Confident31 Ų3140.7 Ų40.716%0.15921%0.214CC..SBendtrans51.871.2170.3-52175.6000111.1L122 L126 K129 D260 P286L122-I238 HydrophobicContact CD1-CG2 4.46Å; L126-I238 HydrophobicContact CD2-CG2 3.41Å; L126-I238 VanDerWaalsContact CD2-CG2 3.41Å; L126-I238 HydrophobicContact CG-CG2 4.24Å; K129-I238 HydrophobicContact CD-CD1 4.09Å; I238-D260 HydrophobicContact CB-CB 3.98Å; I238-D260 HydrophobicContact CG2-CB 4.37Å; I238-D260 PolarHBondContact O-N 3.07Å; I238-D260 VanDerWaalsContact O-N 3.09Å; I238-P286 PolarHBondContact N-O 3.26Å
239P86.8Confident87.5Confident0 Ų037.8 Ų37.80%019%0.194CC..BIsolated β-bridgetrans-62135172.223.6-31.6000111.1L122 P241 I244 I257 F259 L284 M285 V289L122-P239 HydrophobicContact CD1-CG 4.16Å; L122-P239 HydrophobicContact CD2-CG 3.84Å; P239-P241 VanDerWaalsContact O-CD 3.3Å; P239-P241 WeakPolarHBondContact O-CD 3.47Å; P239-I244 HydrophobicContact CB-CD1 3.42Å; P239-I244 VanDerWaalsContact CB-CD1 3.42Å; P239-I257 HydrophobicContact CB-CG2 4.32Å; P239-F259 HydrophobicContact CB-CD1 4.04Å; P239-F259 HydrophobicContact CB-CE1 4.02Å; P239-L284 HydrophobicContact CG-CB 4.42Å; P239-M285 VanDerWaalsContact CD-O 3.25Å; P239-M285 WeakPolarHBondContact CD-O 3.43Å; P239-M285 VanDerWaalsContact CG-O 3.26Å; P239-M285 WeakPolarHBondContact CG-O 3.48Å; P239-V289 HydrophobicContact CB-CG2 3.75Å; P239-V289 HydrophobicContact CG-CG2 3.84Å
240L83.3Confident87.2Confident40 Ų4039.1 Ų39.121%0.20920%0.199CC..  trans-91.9104.7-178.4-61.8179000111.6L126 A242 F243 I244 V258L126-L240 HydrophobicContact CD2-CD2 3.94Å; L240-A242 PolarHBondContact O-N 3.36Å; L240-A242 VanDerWaalsContact O-N 3.1Å; L240-F243 HydrophobicContact CB-CD2 4.12Å; L240-F243 HydrophobicContact CD1-CD2 4.21Å; L240-F243 PolarHBondContact O-N 2.9Å; L240-I244 WeakPolarHBondContact O-CD1 3.44Å; L240-I244 WeakPolarHBondContact O-CG1 3.49Å; L240-I244 PolarHBondContact O-N 3.44Å; L240-V258 HydrophobicContact CD1-CG1 4.18Å; L240-V258 PolarHBondContact N-O 2.82Å
241P80.3Confident86.8Confident31 Ų3139.4 Ų39.420%0.20120%0.201CC..G310 helixtrans-60.5-30.3-170.1-24.135.1000114.3I118 L126 P239 F243 L284I118-P241 HydrophobicContact CD1-CB 3.64Å; I118-P241 HydrophobicContact CD1-CG 3.8Å; I118-P241 HydrophobicContact CG1-CB 4.2Å; I118-P241 HydrophobicContact CG1-CG 4.2Å; I118-P241 HydrophobicContact CG2-CG 4.33Å; L126-P241 HydrophobicContact CD1-CG 4.12Å; P239-P241 VanDerWaalsContact O-CD 3.3Å; P239-P241 WeakPolarHBondContact O-CD 3.47Å; P241-F243 PolarHBondContact O-N 2.76Å; P241-L284 HydrophobicContact CB-CD1 4Å; P241-L284 HydrophobicContact CG-CD1 4.04Å
242A76.6Confident86.6Confident88 Ų8840.4 Ų40.473%0.72721%0.205SC*.G310 helixtrans-66.4-23179.800000114L240L240-A242 PolarHBondContact O-N 3.36Å; L240-A242 VanDerWaalsContact O-N 3.1Å
243F78.1Confident86.4Confident118 Ų11840.3 Ų40.352%0.51821%0.205SC..G310 helixtrans-115.95.3-174.7-59.1-71.6000113.2L240 P241 H256 V258L240-F243 HydrophobicContact CB-CD2 4.12Å; L240-F243 HydrophobicContact CD1-CD2 4.21Å; L240-F243 PolarHBondContact O-N 2.9Å; P241-F243 PolarHBondContact O-N 2.76Å; F243-H256 PolarHBondContact O-ND1 2.84Å; F243-V258 HydrophobicContact CB-CB 3.84Å; F243-V258 HydrophobicContact CB-CG1 4.44Å; F243-V258 HydrophobicContact CB-CG2 3.68Å
244I85.4Confident86.3Confident11 Ų1141.7 Ų41.76%0.05621%0.211CC..  trans-95.7136.6179.1-67.5167.4000109.6L116 P239 L240 H256 I257 L284L116-I244 HydrophobicContact CD1-CG2 4.4Å; L116-I244 HydrophobicContact CD2-CG2 4.31Å; P239-I244 HydrophobicContact CB-CD1 3.42Å; P239-I244 VanDerWaalsContact CB-CD1 3.42Å; L240-I244 WeakPolarHBondContact O-CD1 3.44Å; L240-I244 WeakPolarHBondContact O-CG1 3.49Å; L240-I244 PolarHBondContact O-N 3.44Å; I244-H256 WeakPolarHBondContact CA-O 3.3Å; I244-I257 HydrophobicContact CD1-CG2 3.9Å; I244-I257 HydrophobicContact CG1-CB 4.42Å; I244-I257 HydrophobicContact CG1-CG2 3.99Å; I244-I257 HydrophobicContact CG2-CG1 4.22Å; I244-L284 HydrophobicContact CD1-CD1 4.08Å; I244-L284 HydrophobicContact CD1-CD2 4.08Å; I244-L284 HydrophobicContact CG2-CD2 4.39Å
245W85.8Confident86.2Confident78 Ų7841.7 Ų41.730%0.29521%0.211SC..EExtended strand (participates in β ladder)trans-144.4137.3167.154.5-92.4000110.1L113 K247 H254 H256L113-W245 HydrophobicContact CD2-CB 3.89Å; W245-K247 HydrophobicContact CE3-CB 4.26Å; W245-K247 HydrophobicContact CE3-CD 3.79Å; W245-K247 HydrophobicContact CE3-CG 3.83Å; W245-K247 HydrophobicContact CZ3-CB 4.3Å; W245-K247 HydrophobicContact CZ3-CD 3.87Å; W245-K247 HydrophobicContact CZ3-CG 4.19Å; W245-H254 HydrophobicContact CZ3-CB 4.07Å; W245-H256 AromaticContact CD1-ND1 3.72Å; W245-H256 HydrophobicContact CD2-CB 3.54Å; W245-H256 AromaticContact CE2-CG 3.5Å; W245-H256 VanDerWaalsContact CE2-CG 3.5Å; W245-H256 AromaticContact CE2-ND1 3.99Å; W245-H256 HydrophobicContact CE3-CB 3.98Å; W245-H256 HydrophobicContact CG-CB 4.08Å; W245-H256 HydrophobicContact CH2-CB 3.76Å; W245-H256 HydrophobicContact CZ2-CB 3.29Å; W245-H256 AromaticContact CZ2-CD2 3.95Å; W245-H256 AromaticContact CZ2-CG 3.68Å; W245-H256 HydrophobicContact CZ3-CB 4.08Å; W245-H256 PolarHBondContact N-O 3.4Å; W245-H256 AromaticContact NE1-CD2 3.99Å; W245-H256 AromaticContact NE1-CE1 3.98Å; W245-H256 AromaticContact NE1-CG 3.3Å; W245-H256 VanDerWaalsContact NE1-CG 3.3Å; W245-H256 AromaticContact NE1-ND1 3.31Å; W245-H256 PolarHBondContact NE1-ND1 2.82Å; W245-H256 PolarHBondContact O-N 2.77Å; W245-H256 VanDerWaalsContact O-O 3.12Å
246V90.3Very high86.2Confident1 Ų138.5 Ų38.51%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-123.8121.9173.3-176.60000107.4L114 L253 H254 V255 V282 I291L114-V246 HydrophobicContact CD1-CG1 3.9Å; L114-V246 HydrophobicContact CG-CG1 4.44Å; L114-V246 PolarHBondContact N-O 2.8Å; V246-L253 HydrophobicContact CG1-CD1 3.68Å; V246-H254 WeakPolarHBondContact CA-O 3.47Å; V246-V255 HydrophobicContact CG1-CG2 4.34Å; V246-V255 HydrophobicContact CG2-CG1 4.35Å; V246-V282 HydrophobicContact CB-CG2 3.69Å; V246-V282 HydrophobicContact CG1-CG2 4.03Å; V246-V282 HydrophobicContact CG2-CG1 4.23Å; V246-V282 HydrophobicContact CG2-CG2 3.74Å; V246-I291 HydrophobicContact CG1-CD1 4.19Å; V246-I291 HydrophobicContact CG1-CG2 4.21Å; V246-I291 HydrophobicContact CG2-CD1 4.31Å; V246-I291 HydrophobicContact CG2-CG1 4.49Å
247K90.7Very high86.3Confident72 Ų7237.7 Ų37.731%0.31319%0.191SC..EExtended strand (participates in β ladder)trans-115123.9-176.9-81179.9-170.1171.80108.1L111 K112 L113 W245 H254L111-K247 HydrophobicContact CB-CB 4.1Å; L111-K247 HydrophobicContact CB-CD 4.47Å; L111-K247 HydrophobicContact CD2-CB 4.44Å; K112-K247 CarbonylContact O-C 3.57Å; K112-K247 WeakPolarHBondContact O-CA 3.14Å; L113-K247 HydrophobicContact CD2-CD 4.28Å; L113-K247 HydrophobicContact CD2-CG 3.51Å; L113-K247 HydrophobicContact CG-CG 4.05Å; W245-K247 HydrophobicContact CE3-CB 4.26Å; W245-K247 HydrophobicContact CE3-CD 3.79Å; W245-K247 HydrophobicContact CE3-CG 3.83Å; W245-K247 HydrophobicContact CZ3-CB 4.3Å; W245-K247 HydrophobicContact CZ3-CD 3.87Å; W245-K247 HydrophobicContact CZ3-CG 4.19Å; K247-H254 HydrophobicContact CB-CB 4.02Å; K247-H254 PolarHBondContact N-O 3.16Å; K247-H254 PolarHBondContact O-N 2.74Å
248A88.8Confident86.3Confident0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-124.3141.617900000110.7K112 L114 E252 L253 I275 V277K112-A248 PolarHBondContact N-O 3.09Å; K112-A248 PolarHBondContact O-N 3.31Å; L114-A248 HydrophobicContact CD1-CB 3.9Å; L114-A248 HydrophobicContact CD2-CB 3.9Å; L114-A248 HydrophobicContact CG-CB 3.88Å; A248-E252 CarbonylContact C-O 3.5Å; A248-E252 WeakPolarHBondContact CA-O 3.45Å; A248-L253 HydrophobicContact CB-CD1 3.85Å; A248-I275 HydrophobicContact CB-CD1 4.13Å; A248-V277 HydrophobicContact CB-CG1 4.2Å
249S87.3Confident86.5Confident4 Ų429.3 Ų29.33%0.02815%0.151CC..  trans-110176.1162.8-175.40000108L109 T251 E252 I275 V277L109-S249 PolarHBondContact O-OG 3.42Å; S249-T251 PolarHBondContact O-N 2.71Å; S249-E252 PolarHBondContact N-O 3.1Å; S249-I275 WeakPolarHBondContact O-CD1 3.19Å; S249-I275 WeakPolarHBondContact O-CG1 3.48Å; S249-V277 VanDerWaalsContact C-CG2 3.49Å
250Q84.8Confident86.2Confident74 Ų7431.9 Ų31.935%0.34617%0.165SC..SBendtrans-58.8-22.4177.9-73.6-17415.400113.1P105 L109 V274 I275 V277P105-Q250 HydrophobicContact CG-CB 4.41Å; L109-Q250 HydrophobicContact CD1-CG 4.27Å; Q250-V274 HydrophobicContact CB-CG1 4.11Å; Q250-V274 CarbonylContact O-C 3.59Å; Q250-V274 VanDerWaalsContact O-CA 3.29Å; Q250-V274 WeakPolarHBondContact O-CA 3.49Å; Q250-I275 PolarHBondContact O-N 3.29Å; Q250-V277 HydrophobicContact CG-CG2 4.37Å
251T84.4Confident85.6Confident6 Ų631.1 Ų31.14%0.03717%0.167CC..SBendtrans-1374.1-177.158.60000114.7R104 S249 K270 L271 V274R104-T251 HydrophobicContact CG-CG2 3.93Å; S249-T251 PolarHBondContact O-N 2.71Å; T251-K270 CarbonylContact O-C 3.53Å; T251-L271 PolarHBondContact O-N 3.35Å; T251-V274 HydrophobicContact CG2-CG2 4.21Å
252E88.8Confident85.2Confident28 Ų2831 Ų3113%0.13117%0.165CC..EExtended strand (participates in β ladder)trans-137.1144.5-177.6-62.8-169.1149.300110.3S107 A248 S249 M269 K270S107-E252 PolarHBondContact OG-OE1 3.3Å; S107-E252 VanDerWaalsContact OG-OE1 3.13Å; A248-E252 CarbonylContact C-O 3.5Å; A248-E252 WeakPolarHBondContact CA-O 3.45Å; S249-E252 PolarHBondContact N-O 3.1Å; E252-M269 WeakPolarHBondContact CA-O 3.14Å; E252-K270 HydrophobicContact CG-CG 4.3Å; E252-K270 WeakPolarHBondContact OE1-CE 3.39Å; E252-K270 IonicContact OE1-NZ 3.02Å; E252-K270 PolarHBondContact OE1-NZ 2.8Å
253L90.1Very high85.3Confident0 Ų033.8 Ų33.80%016%0.156CC..EExtended strand (participates in β ladder)trans-131.1126.4177.1-179.775.4000109.6L114 V246 A248 V255 Q268 M269 L271 I291 L293L114-L253 HydrophobicContact CD1-CD1 4.47Å; V246-L253 HydrophobicContact CG1-CD1 3.68Å; A248-L253 HydrophobicContact CB-CD1 3.85Å; L253-V255 HydrophobicContact CD1-CG2 4.47Å; L253-V255 HydrophobicContact CD2-CG2 3.76Å; L253-V255 HydrophobicContact CG-CG2 3.79Å; L253-Q268 WeakPolarHBondContact O-CA 3.47Å; L253-M269 HydrophobicContact CB-CG 3.66Å; L253-M269 HydrophobicContact CB-SD 4.34Å; L253-M269 HydrophobicContact CD2-CE 4.16Å; L253-M269 HydrophobicContact CD2-CG 4Å; L253-M269 HydrophobicContact CD2-SD 3.59Å; L253-M269 VanDerWaalsContact CD2-SD 3.59Å; L253-M269 HydrophobicContact CG-CG 4.28Å; L253-M269 HydrophobicContact CG-SD 4.49Å; L253-M269 PolarHBondContact N-O 2.79Å; L253-M269 PolarHBondContact O-N 3.46Å; L253-L271 HydrophobicContact CB-CD2 4.26Å; L253-L271 HydrophobicContact CB-CG 4.46Å; L253-I291 HydrophobicContact CD1-CG2 4.27Å; L253-I291 HydrophobicContact CD2-CD1 4.38Å; L253-I291 HydrophobicContact CD2-CG2 4.34Å; L253-L293 HydrophobicContact CD1-CD2 4.17Å; L253-L293 HydrophobicContact CD2-CD1 4.16Å
254H90.6Very high85.7Confident33 Ų3328.8 Ų28.815%0.15314%0.136CC..EExtended strand (participates in β ladder)trans-117.1119.1177.2-72.9-151.6000108.1W245 V246 K247 Q268W245-H254 HydrophobicContact CZ3-CB 4.07Å; V246-H254 WeakPolarHBondContact CA-O 3.47Å; K247-H254 HydrophobicContact CB-CB 4.02Å; K247-H254 PolarHBondContact N-O 3.16Å; K247-H254 PolarHBondContact O-N 2.74Å; H254-Q268 PolarHBondContact CE1-NE2 3.47Å; H254-Q268 PolarHBondContact ND1-NE2 3.09Å
255V91.6Very high85.8Confident2 Ų229.1 Ų29.11%0.01214%0.137CC..EExtended strand (participates in β ladder)trans-117.8130.3-175-175.40000108.3V246 L253 I257 F265 Q266 A267 I291V246-V255 HydrophobicContact CG1-CG2 4.34Å; V246-V255 HydrophobicContact CG2-CG1 4.35Å; L253-V255 HydrophobicContact CD1-CG2 4.47Å; L253-V255 HydrophobicContact CD2-CG2 3.76Å; L253-V255 HydrophobicContact CG-CG2 3.79Å; V255-I257 HydrophobicContact CG1-CD1 3.48Å; V255-I257 VanDerWaalsContact CG1-CD1 3.48Å; V255-I257 HydrophobicContact CG1-CG1 3.71Å; V255-F265 HydrophobicContact CG1-CD1 4.26Å; V255-F265 HydrophobicContact CG1-CE1 4.28Å; V255-Q266 WeakPolarHBondContact O-CA 3.11Å; V255-A267 HydrophobicContact CB-CB 4.4Å; V255-A267 PolarHBondContact N-O 3.22Å; V255-A267 PolarHBondContact O-N 3.03Å; V255-I291 HydrophobicContact CB-CD1 4.43Å; V255-I291 HydrophobicContact CG1-CD1 3.91Å; V255-I291 HydrophobicContact CG2-CD1 3.6Å
256H90.1Very high85.9Confident20 Ų2031.4 Ų31.49%0.09315%0.151CC..EExtended strand (participates in β ladder)trans-135.1113.3169.2-179.7-84000108.8F243 I244 W245 F265F243-H256 PolarHBondContact O-ND1 2.84Å; I244-H256 WeakPolarHBondContact CA-O 3.3Å; W245-H256 AromaticContact CD1-ND1 3.72Å; W245-H256 HydrophobicContact CD2-CB 3.54Å; W245-H256 AromaticContact CE2-CG 3.5Å; W245-H256 VanDerWaalsContact CE2-CG 3.5Å; W245-H256 AromaticContact CE2-ND1 3.99Å; W245-H256 HydrophobicContact CE3-CB 3.98Å; W245-H256 HydrophobicContact CG-CB 4.08Å; W245-H256 HydrophobicContact CH2-CB 3.76Å; W245-H256 HydrophobicContact CZ2-CB 3.29Å; W245-H256 AromaticContact CZ2-CD2 3.95Å; W245-H256 AromaticContact CZ2-CG 3.68Å; W245-H256 HydrophobicContact CZ3-CB 4.08Å; W245-H256 PolarHBondContact N-O 3.4Å; W245-H256 AromaticContact NE1-CD2 3.99Å; W245-H256 AromaticContact NE1-CE1 3.98Å; W245-H256 AromaticContact NE1-CG 3.3Å; W245-H256 VanDerWaalsContact NE1-CG 3.3Å; W245-H256 AromaticContact NE1-ND1 3.31Å; W245-H256 PolarHBondContact NE1-ND1 2.82Å; W245-H256 PolarHBondContact O-N 2.77Å; W245-H256 VanDerWaalsContact O-O 3.12Å; H256-F265 WeakPolarHBondContact CA-O 3.39Å
257I89.3Confident85.8Confident0 Ų032.3 Ų32.30%016%0.158CC..EExtended strand (participates in β ladder)trans-124.2126.6-177.3-59162.9000109V234 P239 I244 V255 F259 V264 F265 V289V234-I257 HydrophobicContact CB-CD1 3.99Å; V234-I257 HydrophobicContact CG1-CD1 4.13Å; V234-I257 HydrophobicContact CG2-CD1 4.02Å; P239-I257 HydrophobicContact CB-CG2 4.32Å; I244-I257 HydrophobicContact CD1-CG2 3.9Å; I244-I257 HydrophobicContact CG1-CB 4.42Å; I244-I257 HydrophobicContact CG1-CG2 3.99Å; I244-I257 HydrophobicContact CG2-CG1 4.22Å; V255-I257 HydrophobicContact CG1-CD1 3.48Å; V255-I257 VanDerWaalsContact CG1-CD1 3.48Å; V255-I257 HydrophobicContact CG1-CG1 3.71Å; I257-F259 HydrophobicContact CB-CE2 4.12Å; I257-F259 HydrophobicContact CB-CZ 4.25Å; I257-F259 HydrophobicContact CG2-CD1 4.21Å; I257-F259 HydrophobicContact CG2-CD2 4.05Å; I257-F259 HydrophobicContact CG2-CE1 3.73Å; I257-F259 HydrophobicContact CG2-CE2 3.54Å; I257-F259 HydrophobicContact CG2-CG 4.37Å; I257-F259 HydrophobicContact CG2-CZ 3.38Å; I257-V264 CarbonylContact O-C 3.58Å; I257-V264 WeakPolarHBondContact O-CA 3.27Å; I257-F265 HydrophobicContact CB-CB 4.43Å; I257-F265 HydrophobicContact CD1-CD1 4.27Å; I257-F265 PolarHBondContact N-O 3.16Å; I257-F265 PolarHBondContact O-N 3.07Å; I257-V289 HydrophobicContact CD1-CB 3.92Å; I257-V289 HydrophobicContact CD1-CG1 3.79Å; I257-V289 HydrophobicContact CD1-CG2 4.16Å; I257-V289 HydrophobicContact CG2-CG2 4.13Å
258V86.1Confident85.8Confident5 Ų533.9 Ų33.93%0.0317%0.167CC..EExtended strand (participates in β ladder)trans-105.3122.9171.1-173.40000107.9L240 F243 R263 V264L240-V258 HydrophobicContact CD1-CG1 4.18Å; L240-V258 PolarHBondContact N-O 2.82Å; F243-V258 HydrophobicContact CB-CB 3.84Å; F243-V258 HydrophobicContact CB-CG1 4.44Å; F243-V258 HydrophobicContact CB-CG2 3.68Å; V258-R263 WeakPolarHBondContact CA-O 3.32Å; V258-V264 HydrophobicContact CG1-CG2 4.27Å; V258-V264 HydrophobicContact CG2-CG2 4.03Å
259F87.1Confident85.7Confident4 Ų434.3 Ų34.32%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-100.2169.5174.8-63.6-76.7000110.2C219 V234 P239 I257 N262 R263 F265 V289C219-F259 VanDerWaalsContact SG-CE2 3.51Å; V234-F259 HydrophobicContact CG1-CE2 4.5Å; V234-F259 HydrophobicContact CG1-CZ 4.14Å; P239-F259 HydrophobicContact CB-CD1 4.04Å; P239-F259 HydrophobicContact CB-CE1 4.02Å; I257-F259 HydrophobicContact CB-CE2 4.12Å; I257-F259 HydrophobicContact CB-CZ 4.25Å; I257-F259 HydrophobicContact CG2-CD1 4.21Å; I257-F259 HydrophobicContact CG2-CD2 4.05Å; I257-F259 HydrophobicContact CG2-CE1 3.73Å; I257-F259 HydrophobicContact CG2-CE2 3.54Å; I257-F259 HydrophobicContact CG2-CG 4.37Å; I257-F259 HydrophobicContact CG2-CZ 3.38Å; F259-N262 PolarHBondContact O-N 3.31Å; F259-R263 HydrophobicContact CB-CB 4.14Å; F259-R263 PolarHBondContact N-O 2.8Å; F259-R263 PolarHBondContact O-N 3.41Å; F259-F265 HydrophobicContact CE2-CB 3.95Å; F259-V289 HydrophobicContact CE1-CG2 4.32Å
260D80.6Confident85.8Confident54 Ų5437.9 Ų37.929%0.28918%0.184SC..THydrogen-bonded Turntrans-56.5147.2174.2-171.246.4000113.3K129 Q237 I238K129-D260 WeakPolarHBondContact CE-OD1 3.46Å; K129-D260 WeakPolarHBondContact CE-OD2 3.38Å; K129-D260 IonicContact NZ-OD1 3.38Å; K129-D260 PolarHBondContact NZ-OD1 2.81Å; K129-D260 IonicContact NZ-OD2 3.2Å; K129-D260 PolarHBondContact NZ-OD2 3.05Å; Q237-D260 PolarHBondContact O-N 2.71Å; I238-D260 HydrophobicContact CB-CB 3.98Å; I238-D260 HydrophobicContact CG2-CB 4.37Å; I238-D260 PolarHBondContact O-N 3.07Å; I238-D260 VanDerWaalsContact O-N 3.09Å
261G71.9Confident86Confident25 Ų2534.3 Ų34.326%0.25817%0.167SC..THydrogen-bonded Turntrans72.529-17300000114R263G261-R263 PolarHBondContact O-N 3Å
262N71.4Confident86.1Confident28 Ų2837.4 Ų37.415%0.1518%0.178CC..THydrogen-bonded Turntrans56.531177.9-64.930.7000113.7G212 Q214 L215 F259G212-N262 VanDerWaalsContact CA-ND2 3.28Å; G212-N262 WeakPolarHBondContact CA-ND2 3.33Å; G212-N262 PolarHBondContact O-ND2 3.01Å; Q214-N262 CarbonylContact C-O 3.53Å; Q214-N262 WeakPolarHBondContact CA-O 3.33Å; L215-N262 PolarHBondContact N-O 3.49Å; F259-N262 PolarHBondContact O-N 3.31Å
263R78.7Confident85.8Confident146 Ų14636.6 Ų36.655%0.55118%0.177SC*.EExtended strand (participates in β ladder)trans-84123.9178.2-76-179.6-171.6-91.50.7110.5L215 A217 V258 F259 G261L215-R263 CarbonylContact O-C 3.57Å; L215-R263 WeakPolarHBondContact O-CA 3.47Å; A217-R263 HydrophobicContact CB-CB 3.87Å; A217-R263 HydrophobicContact CB-CG 4.44Å; V258-R263 WeakPolarHBondContact CA-O 3.32Å; F259-R263 HydrophobicContact CB-CB 4.14Å; F259-R263 PolarHBondContact N-O 2.8Å; F259-R263 PolarHBondContact O-N 3.41Å; G261-R263 PolarHBondContact O-N 3Å
264V85.7Confident85.6Confident14 Ų1438 Ų389%0.08519%0.186CC..EExtended strand (participates in β ladder)trans-116.7125-174.2-176.60000112Q214 L215 A217 I257 V258Q214-V264 HydrophobicContact CB-CB 4.5Å; Q214-V264 HydrophobicContact CB-CG2 3.54Å; Q214-V264 VanDerWaalsContact CD-CG2 3.46Å; Q214-V264 HydrophobicContact CG-CG2 3.61Å; L215-V264 PolarHBondContact O-N 2.81Å; A217-V264 PolarHBondContact N-O 2.77Å; I257-V264 CarbonylContact O-C 3.58Å; I257-V264 WeakPolarHBondContact O-CA 3.27Å; V258-V264 HydrophobicContact CG1-CG2 4.27Å; V258-V264 HydrophobicContact CG2-CG2 4.03Å
265F87.6Confident85.5Confident17 Ų1736.5 Ų36.58%0.07518%0.179CC..EExtended strand (participates in β ladder)trans-105.1119.6169.8179.4-101000110C219 H221 V234 V255 H256 I257 F259 A267C219-F265 HydrophobicContact CB-CB 4.33Å; C219-F265 HydrophobicContact CB-CD2 3.53Å; C219-F265 HydrophobicContact CB-CE2 4.01Å; C219-F265 HydrophobicContact CB-CG 4.05Å; H221-F265 AromaticContact ND1-CZ 3.99Å; V234-F265 HydrophobicContact CB-CE1 4.47Å; V234-F265 HydrophobicContact CG1-CD1 3.7Å; V234-F265 HydrophobicContact CG1-CD2 4.47Å; V234-F265 HydrophobicContact CG1-CE1 3.82Å; V234-F265 HydrophobicContact CG1-CG 4.03Å; V234-F265 HydrophobicContact CG1-CZ 4.25Å; V234-F265 HydrophobicContact CG2-CD1 4.26Å; V234-F265 HydrophobicContact CG2-CE1 3.76Å; V234-F265 HydrophobicContact CG2-CZ 4.39Å; V255-F265 HydrophobicContact CG1-CD1 4.26Å; V255-F265 HydrophobicContact CG1-CE1 4.28Å; H256-F265 WeakPolarHBondContact CA-O 3.39Å; I257-F265 HydrophobicContact CB-CB 4.43Å; I257-F265 HydrophobicContact CD1-CD1 4.27Å; I257-F265 PolarHBondContact N-O 3.16Å; I257-F265 PolarHBondContact O-N 3.07Å; F259-F265 HydrophobicContact CE2-CB 3.95Å; F265-A267 HydrophobicContact CE1-CB 3.68Å; F265-A267 HydrophobicContact CZ-CB 3.75Å
266Q88.7Confident85.3Confident126 Ų12638.9 Ų38.959%0.58919%0.192SC*.EExtended strand (participates in β ladder)trans-123.6125.1175.8-173176.3-8.600109.9V255V255-Q266 WeakPolarHBondContact O-CA 3.11Å
267A88.2Confident85.1Confident20 Ų2038.7 Ų38.717%0.16519%0.192CC..EExtended strand (participates in β ladder)trans-138.4140.8179.100000111.5V255 F265V255-A267 HydrophobicContact CB-CB 4.4Å; V255-A267 PolarHBondContact N-O 3.22Å; V255-A267 PolarHBondContact O-N 3.03Å; F265-A267 HydrophobicContact CE1-CB 3.68Å; F265-A267 HydrophobicContact CZ-CB 3.75Å
268Q89.2Confident84.9Confident106 Ų10645.6 Ų45.650%0.49522%0.224SC..EExtended strand (participates in β ladder)trans-125.3126.2170.4-67.3-179.1-1200108.5L253 H254 K313L253-Q268 WeakPolarHBondContact O-CA 3.47Å; H254-Q268 PolarHBondContact CE1-NE2 3.47Å; H254-Q268 PolarHBondContact ND1-NE2 3.09Å; Q268-K313 WeakPolarHBondContact O-CE 3.14Å; Q268-K313 PolarHBondContact O-NZ 3.36Å
269M88.1Confident84.9Confident9 Ų951.4 Ų51.44%0.04425%0.251CS..EExtended strand (participates in β ladder)trans-135.8136.5-176.962.2-178.77400110.5V232 E252 L253 L271 L304 E305V232-M269 HydrophobicContact CG1-CE 4.42Å; E252-M269 WeakPolarHBondContact CA-O 3.14Å; L253-M269 HydrophobicContact CB-CG 3.66Å; L253-M269 HydrophobicContact CB-SD 4.34Å; L253-M269 HydrophobicContact CD2-CE 4.16Å; L253-M269 HydrophobicContact CD2-CG 4Å; L253-M269 HydrophobicContact CD2-SD 3.59Å; L253-M269 VanDerWaalsContact CD2-SD 3.59Å; L253-M269 HydrophobicContact CG-CG 4.28Å; L253-M269 HydrophobicContact CG-SD 4.49Å; L253-M269 PolarHBondContact N-O 2.79Å; L253-M269 PolarHBondContact O-N 3.46Å; M269-L271 HydrophobicContact CG-CD2 4.27Å; M269-L271 HydrophobicContact SD-CD2 4.3Å; M269-L304 HydrophobicContact CE-CD2 4.41Å; M269-L304 HydrophobicContact SD-CD2 3.71Å; M269-L304 HydrophobicContact SD-CG 4.17Å; M269-E305 HydrophobicContact CB-CG 3.82Å; M269-E305 WeakPolarHBondContact CB-OE1 3.4Å
270K89.2Confident85.1Confident78 Ų7851.2 Ų51.234%0.33925%0.25SS..EExtended strand (participates in β ladder)trans-96112.1173.8-59.4-166.6179.7-118.90107.8T251 E252 E305 H306 A309T251-K270 CarbonylContact O-C 3.53Å; E252-K270 HydrophobicContact CG-CG 4.3Å; E252-K270 WeakPolarHBondContact OE1-CE 3.39Å; E252-K270 IonicContact OE1-NZ 3.02Å; E252-K270 PolarHBondContact OE1-NZ 2.8Å; K270-E305 CarbonylContact O-C 3.56Å; K270-E305 WeakPolarHBondContact O-CA 3.29Å; K270-H306 PolarHBondContact O-N 3.13Å; K270-A309 HydrophobicContact CB-CB 3.75Å; K270-A309 HydrophobicContact CD-CB 3.99Å; K270-A309 HydrophobicContact CG-CB 3.95Å
271L89.3Confident85.7Confident0 Ų050.1 Ų50.10%025%0.246CC..BIsolated β-bridgetrans-66.2147.1-172.4-58.7173.4000111.2R104 T251 L253 M269 I275 L293 W301 L304R104-L271 PolarHBondContact NH2-O 3.09Å; T251-L271 PolarHBondContact O-N 3.35Å; L253-L271 HydrophobicContact CB-CD2 4.26Å; L253-L271 HydrophobicContact CB-CG 4.46Å; M269-L271 HydrophobicContact CG-CD2 4.27Å; M269-L271 HydrophobicContact SD-CD2 4.3Å; L271-I275 HydrophobicContact CD1-CD1 3.61Å; L271-I275 HydrophobicContact CD1-CG1 3.86Å; L271-I275 HydrophobicContact CD1-CG2 3.89Å; L271-L293 HydrophobicContact CD1-CD1 4.09Å; L271-L293 HydrophobicContact CD2-CD1 4.05Å; L271-W301 HydrophobicContact CB-CH2 3.9Å; L271-W301 HydrophobicContact CB-CZ3 3.93Å; L271-W301 HydrophobicContact CD1-CH2 4.46Å; L271-W301 HydrophobicContact CD2-CZ3 4.23Å; L271-L304 CarbonylContact C-O 3.6Å; L271-L304 WeakPolarHBondContact CA-O 3.46Å; L271-L304 HydrophobicContact CD2-CD1 4.25Å
272W85Confident86.8Confident71 Ų7148.9 Ų48.927%0.26923%0.234SC..SBendtrans-64.3-50.1176.9-175.690.7000111.3R104 W301 Q303 L304R104-W272 PolarHBondContact NH1-O 3.32Å; W272-W301 HydrophobicContact CB-CD2 4.24Å; W272-W301 HydrophobicContact CB-CE3 3.93Å; W272-W301 HydrophobicContact CB-CZ3 4.46Å; W272-W301 HydrophobicContact CD2-CB 4.39Å; W272-W301 HydrophobicContact CD2-CG 4.37Å; W272-W301 HydrophobicContact CE3-CB 3.93Å; W272-W301 AromaticContact CE3-CD1 3.52Å; W272-W301 HydrophobicContact CE3-CD2 4.03Å; W272-W301 AromaticContact CE3-CG 3.56Å; W272-W301 HydrophobicContact CE3-CG 3.56Å; W272-W301 AromaticContact CE3-NE1 3.97Å; W272-W301 AromaticContact CZ3-CD1 3.73Å; W272-W301 HydrophobicContact CZ3-CG 4.17Å; W272-Q303 WeakPolarHBondContact CB-O 3.28Å; W272-L304 PolarHBondContact N-O 3.08Å
273G83.8Confident87.8Confident11 Ų1149.3 Ų49.311%0.11324%0.239CC..SBendtrans-105.1-175.2178.900000114.4
274V85.3Confident88.4Confident28 Ų2842.4 Ų42.417%0.1721%0.213CC..  trans-93.2136.8176.7-177.50000109.7Q250 T251 A296Q250-V274 HydrophobicContact CB-CG1 4.11Å; Q250-V274 CarbonylContact O-C 3.59Å; Q250-V274 VanDerWaalsContact O-CA 3.29Å; Q250-V274 WeakPolarHBondContact O-CA 3.49Å; T251-V274 HydrophobicContact CG2-CG2 4.21Å; V274-A296 HydrophobicContact CB-CB 4.07Å; V274-A296 HydrophobicContact CG1-CB 3.79Å; V274-A296 WeakPolarHBondContact O-CB 3.45Å; V274-A296 PolarHBondContact O-N 3.45Å
275I88.7Confident88.7Confident2 Ų243.3 Ų43.31%0.0122%0.217CC..EExtended strand (participates in β ladder)trans-115.5150.2178.362.2162.1000112.4A248 S249 Q250 L271 V277 L293 V294 W301A248-I275 HydrophobicContact CB-CD1 4.13Å; S249-I275 WeakPolarHBondContact O-CD1 3.19Å; S249-I275 WeakPolarHBondContact O-CG1 3.48Å; Q250-I275 PolarHBondContact O-N 3.29Å; L271-I275 HydrophobicContact CD1-CD1 3.61Å; L271-I275 HydrophobicContact CD1-CG1 3.86Å; L271-I275 HydrophobicContact CD1-CG2 3.89Å; I275-V277 HydrophobicContact CD1-CG2 4.42Å; I275-V277 HydrophobicContact CG1-CG2 4.35Å; I275-V277 PolarHBondContact O-N 3.19Å; I275-L293 HydrophobicContact CD1-CB 4.32Å; I275-L293 HydrophobicContact CD1-CD1 4.35Å; I275-L293 HydrophobicContact CD1-CD2 3.87Å; I275-L293 HydrophobicContact CD1-CG 4.41Å; I275-L293 HydrophobicContact CG2-CB 4.12Å; I275-V294 CarbonylContact C-O 3.49Å; I275-V294 WeakPolarHBondContact CA-O 3.47Å; I275-V294 WeakPolarHBondContact CB-O 3.43Å; I275-W301 HydrophobicContact CG2-CH2 3.7Å; I275-W301 HydrophobicContact CG2-CZ2 3.99Å
276N86.8Confident88.8Confident53 Ų5344.4 Ų44.428%0.28323%0.226SC..EExtended strand (participates in β ladder)trans-85.4101166.3-171.2-15.4000109.8E278 Q279 S280 V294N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.08Å; N276-E278 PolarHBondContact OD1-N 3.47Å; N276-E278 VanDerWaalsContact OD1-N 3.16Å; N276-Q279 PolarHBondContact ND2-OE1 2.75Å; N276-Q279 PolarHBondContact O-N 3.1Å; N276-S280 PolarHBondContact O-N 3.45Å; N276-S280 PolarHBondContact O-OG 3.14Å; N276-V294 HydrophobicContact CB-CB 4.44Å; N276-V294 HydrophobicContact CB-CG1 4.4Å; N276-V294 PolarHBondContact N-O 2.8Å
277V86.4Confident88.9Confident15 Ų1541.8 Ų41.89%0.09122%0.222CC..EExtended strand (participates in β ladder)trans-63.4-30.7-176.7-174.50000112.7K112 L114 A248 S249 Q250 I275 S280K112-V277 HydrophobicContact CB-CG1 3.77Å; K112-V277 HydrophobicContact CD-CG1 4.07Å; K112-V277 HydrophobicContact CG-CG1 4.33Å; L114-V277 HydrophobicContact CD2-CG1 3.83Å; L114-V277 WeakPolarHBondContact CD2-O 3.36Å; A248-V277 HydrophobicContact CB-CG1 4.2Å; S249-V277 VanDerWaalsContact C-CG2 3.49Å; Q250-V277 HydrophobicContact CG-CG2 4.37Å; I275-V277 HydrophobicContact CD1-CG2 4.42Å; I275-V277 HydrophobicContact CG1-CG2 4.35Å; I275-V277 PolarHBondContact O-N 3.19Å; V277-S280 PolarHBondContact O-N 3.2Å
278E85.8Confident89.1Confident146 Ų14645 Ų4568%0.68223%0.229SC*.EExtended strand (participates in β ladder)trans-77.1-24.8-175.1-61.4-174.817200113K112 N276K112-E278 IonicContact NZ-OE1 2.6Å; K112-E278 PolarHBondContact NZ-OE1 3.09Å; N276-E278 VanDerWaalsContact C-N 3.27Å; N276-E278 PolarHBondContact O-N 3.08Å; N276-E278 PolarHBondContact OD1-N 3.47Å; N276-E278 VanDerWaalsContact OD1-N 3.16Å
279Q85.7Confident89.3Confident126 Ų12639.9 Ų39.959%0.58921%0.206SC*.EExtended strand (participates in β ladder)trans-97.6-4.1176.9-63.6-178.5-39.100112.6N276 V294N276-Q279 PolarHBondContact ND2-OE1 2.75Å; N276-Q279 PolarHBondContact O-N 3.1Å; Q279-V294 HydrophobicContact CB-CB 4.04Å; Q279-V294 HydrophobicContact CB-CG1 4.32Å; Q279-V294 HydrophobicContact CB-CG2 3.82Å; Q279-V294 VanDerWaalsContact O-CG2 3.3Å; Q279-V294 WeakPolarHBondContact O-CG2 3.33Å
280S91.7Very high89.6Confident1 Ų141.2 Ų41.21%0.00721%0.212CC..EExtended strand (participates in β ladder)trans-83.8147.2177.9-60.80000110.3P115 N276 V277 S292 L293 V294P115-S280 WeakPolarHBondContact CD-O 3.47Å; N276-S280 PolarHBondContact O-N 3.45Å; N276-S280 PolarHBondContact O-OG 3.14Å; V277-S280 PolarHBondContact O-N 3.2Å; S280-S292 CarbonylContact C-O 3.5Å; S280-S292 WeakPolarHBondContact CA-O 3.34Å; S280-S292 WeakPolarHBondContact CB-O 3.45Å; S280-L293 WeakPolarHBondContact OG-CA 3.34Å; S280-V294 PolarHBondContact OG-N 2.99Å; S280-V294 VanDerWaalsContact OG-N 3.1Å
281S92.5Very high89.9Confident30 Ų3037.5 Ų37.521%0.2120%0.196CC..EExtended strand (participates in β ladder)trans-148.2164.8-176.4660000111.7S292S281-S292 PolarHBondContact N-O 3.37Å; S281-S292 PolarHBondContact O-N 3.2Å
282V94.3Very high90.1Very high0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-119.6134.9175.2-174.60000108.4L114 P115 L116 N117 V246 L284 V289 E290 I291L114-V282 HydrophobicContact CB-CG2 3.88Å; L114-V282 HydrophobicContact CD1-CG2 4.15Å; P115-V282 PolarHBondContact O-N 2.86Å; L116-V282 CarbonylContact C-O 3.57Å; L116-V282 HydrophobicContact CD2-CB 3.67Å; L116-V282 HydrophobicContact CD2-CG1 3.94Å; L116-V282 HydrophobicContact CD2-CG2 4Å; N117-V282 WeakPolarHBondContact CB-O 3.49Å; N117-V282 PolarHBondContact N-O 3.22Å; N117-V282 PolarHBondContact ND2-O 3.22Å; V246-V282 HydrophobicContact CB-CG2 3.69Å; V246-V282 HydrophobicContact CG1-CG2 4.03Å; V246-V282 HydrophobicContact CG2-CG1 4.23Å; V246-V282 HydrophobicContact CG2-CG2 3.74Å; V282-L284 HydrophobicContact CG1-CD2 3.98Å; V282-V289 HydrophobicContact CG1-CG1 3.67Å; V282-E290 CarbonylContact C-O 3.58Å; V282-E290 WeakPolarHBondContact CA-O 3.17Å; V282-I291 HydrophobicContact CG1-CG1 4.22Å; V282-I291 HydrophobicContact CG2-CG1 4.35Å; V282-I291 HydrophobicContact CG2-CG2 4.37Å
283S92.4Very high90.4Very high37 Ų3735.1 Ų35.126%0.25919%0.19SC..EExtended strand (participates in β ladder)trans-116.5119.8176.9-650000109.2N117 E290N117-S283 CarbonylContact O-C 3.6Å; N117-S283 WeakPolarHBondContact O-CA 3.48Å; S283-E290 PolarHBondContact N-O 3.29Å; S283-E290 PolarHBondContact O-N 2.98Å
284L92.6Very high90.8Very high0 Ų036.1 Ų36.10%019%0.193CC..EExtended strand (participates in β ladder)trans-96.7122.9-179.9-54-179.3000109.8N117 I118 S119 L122 P239 P241 I244 V282 V289N117-L284 PolarHBondContact O-N 3.48Å; I118-L284 HydrophobicContact CG1-CD1 4.31Å; S119-L284 VanDerWaalsContact CB-O 3.31Å; S119-L284 WeakPolarHBondContact CB-O 3.45Å; S119-L284 PolarHBondContact N-O 2.86Å; S119-L284 PolarHBondContact OG-O 2.96Å; L122-L284 HydrophobicContact CD2-CB 3.41Å; L122-L284 VanDerWaalsContact CD2-CB 3.41Å; P239-L284 HydrophobicContact CG-CB 4.42Å; P241-L284 HydrophobicContact CB-CD1 4Å; P241-L284 HydrophobicContact CG-CD1 4.04Å; I244-L284 HydrophobicContact CD1-CD1 4.08Å; I244-L284 HydrophobicContact CD1-CD2 4.08Å; I244-L284 HydrophobicContact CG2-CD2 4.39Å; V282-L284 HydrophobicContact CG1-CD2 3.98Å; L284-V289 HydrophobicContact CD2-CB 4.19Å; L284-V289 HydrophobicContact CD2-CG1 3.64Å; L284-V289 HydrophobicContact CD2-CG2 3.64Å
285M91.9Very high91Very high33 Ų3335.2 Ų35.216%0.16319%0.187CC..EExtended strand (participates in β ladder)trans-120.8162.3176.1-71.2169.2-85.900110.8P239 S287 R288 E290P239-M285 VanDerWaalsContact CD-O 3.25Å; P239-M285 WeakPolarHBondContact CD-O 3.43Å; P239-M285 VanDerWaalsContact CG-O 3.26Å; P239-M285 WeakPolarHBondContact CG-O 3.48Å; M285-S287 PolarHBondContact O-N 3.24Å; M285-S287 VanDerWaalsContact O-N 3.13Å; M285-R288 CarbonylContact C-O 3.6Å; M285-R288 WeakPolarHBondContact CA-O 3.33Å; M285-R288 HydrophobicContact CB-CG 4.02Å; M285-R288 WeakPolarHBondContact CB-O 3.34Å; M285-R288 HydrophobicContact CE-CG 3.62Å; M285-R288 PolarHBondContact N-O 2.89Å; M285-R288 PolarHBondContact O-N 3.19Å; M285-R288 HydrophobicContact SD-CG 4.04Å; M285-R288 PolarHBondContact SD-NE 3.34Å; M285-E290 HydrophobicContact CE-CB 3.88Å; M285-E290 HydrophobicContact CE-CG 3.44Å; M285-E290 VanDerWaalsContact CE-CG 3.44Å; M285-E290 WeakPolarHBondContact CE-OE1 3.4Å; M285-E290 VanDerWaalsContact CE-OE2 3.31Å; M285-E290 WeakPolarHBondContact CE-OE2 3.28Å
286P89.1Confident90.8Very high41 Ų4137.5 Ų37.527%0.26621%0.206SC..THydrogen-bonded Turntrans-55.3-31.5-179.1-27.234.1000115.2A121 L122 A125 I238A121-P286 HydrophobicContact CB-CG 3.87Å; L122-P286 HydrophobicContact CB-CG 4.29Å; A125-P286 HydrophobicContact CB-CB 4.48Å; I238-P286 PolarHBondContact N-O 3.26Å
287S90.3Very high90.5Very high71 Ų7136.9 Ų36.950%0.49720%0.203SC..THydrogen-bonded Turntrans-118.2-2.5-173.557.20000114.4G236 M285G236-S287 PolarHBondContact N-O 2.94Å; G236-S287 VanDerWaalsContact N-O 3.16Å; G236-S287 CarbonylContact O-C 3.53Å; G236-S287 WeakPolarHBondContact O-CA 3.44Å; G236-S287 VanDerWaalsContact O-O 3.04Å; M285-S287 PolarHBondContact O-N 3.24Å; M285-S287 VanDerWaalsContact O-N 3.13Å
288R92.4Very high90Very high86 Ų8639.8 Ų39.833%0.32522%0.222SC..EExtended strand (participates in β ladder)trans-163.6157.4-174.960.4-175.6-177.4165.713.4112.4T233 V234 Y235 G236 M285 E290T233-R288 HydrophobicContact CG2-CB 4.02Å; T233-R288 HydrophobicContact CG2-CG 4.47Å; V234-R288 CarbonylContact O-C 3.52Å; V234-R288 VanDerWaalsContact O-CA 3.27Å; V234-R288 WeakPolarHBondContact O-CA 3.5Å; Y235-R288 HydrophobicContact CD1-CB 4.23Å; G236-R288 PolarHBondContact O-N 3.17Å; M285-R288 CarbonylContact C-O 3.6Å; M285-R288 WeakPolarHBondContact CA-O 3.33Å; M285-R288 HydrophobicContact CB-CG 4.02Å; M285-R288 WeakPolarHBondContact CB-O 3.34Å; M285-R288 HydrophobicContact CE-CG 3.62Å; M285-R288 PolarHBondContact N-O 2.89Å; M285-R288 PolarHBondContact O-N 3.19Å; M285-R288 HydrophobicContact SD-CG 4.04Å; M285-R288 PolarHBondContact SD-NE 3.34Å; R288-E290 IonicContact CZ-OE1 2.91Å; R288-E290 IonicContact NE-OE1 3.37Å; R288-E290 PolarHBondContact NE-OE1 3.4Å; R288-E290 IonicContact NH1-OE1 3.15Å; R288-E290 PolarHBondContact NH1-OE1 3.22Å; R288-E290 VanDerWaalsContact NH1-OE1 3.15Å; R288-E290 IonicContact NH2-OE1 3.01Å; R288-E290 PolarHBondContact NH2-OE1 3.34Å
289V93.6Very high89.6Confident0 Ų034.4 Ų34.40%021%0.206CC..EExtended strand (participates in β ladder)trans-117.9121.1171.6173.80000108T233 V234 P239 I257 F259 V282 L284 I291T233-V289 CarbonylContact C-O 3.57Å; T233-V289 WeakPolarHBondContact CA-O 3.39Å; V234-V289 HydrophobicContact CB-CB 4.5Å; V234-V289 PolarHBondContact N-O 3.47Å; V234-V289 PolarHBondContact O-N 3.23Å; P239-V289 HydrophobicContact CB-CG2 3.75Å; P239-V289 HydrophobicContact CG-CG2 3.84Å; I257-V289 HydrophobicContact CD1-CB 3.92Å; I257-V289 HydrophobicContact CD1-CG1 3.79Å; I257-V289 HydrophobicContact CD1-CG2 4.16Å; I257-V289 HydrophobicContact CG2-CG2 4.13Å; F259-V289 HydrophobicContact CE1-CG2 4.32Å; V282-V289 HydrophobicContact CG1-CG1 3.67Å; L284-V289 HydrophobicContact CD2-CB 4.19Å; L284-V289 HydrophobicContact CD2-CG1 3.64Å; L284-V289 HydrophobicContact CD2-CG2 3.64Å; V289-I291 HydrophobicContact CG1-CG1 4.37Å
290E95.3Very high89.4Confident37 Ų3732.8 Ų32.817%0.17321%0.209CC..EExtended strand (participates in β ladder)trans-104.2120177.8-79.2177.6-17700110V231 T233 V282 S283 M285 R288V231-E290 HydrophobicContact CG1-CB 4.24Å; V231-E290 HydrophobicContact CG1-CG 4.26Å; T233-E290 HydrophobicContact CG2-CG 4.08Å; V282-E290 CarbonylContact C-O 3.58Å; V282-E290 WeakPolarHBondContact CA-O 3.17Å; S283-E290 PolarHBondContact N-O 3.29Å; S283-E290 PolarHBondContact O-N 2.98Å; M285-E290 HydrophobicContact CE-CB 3.88Å; M285-E290 HydrophobicContact CE-CG 3.44Å; M285-E290 VanDerWaalsContact CE-CG 3.44Å; M285-E290 WeakPolarHBondContact CE-OE1 3.4Å; M285-E290 VanDerWaalsContact CE-OE2 3.31Å; M285-E290 WeakPolarHBondContact CE-OE2 3.28Å; R288-E290 IonicContact CZ-OE1 2.91Å; R288-E290 IonicContact NE-OE1 3.37Å; R288-E290 PolarHBondContact NE-OE1 3.4Å; R288-E290 IonicContact NH1-OE1 3.15Å; R288-E290 PolarHBondContact NH1-OE1 3.22Å; R288-E290 VanDerWaalsContact NH1-OE1 3.15Å; R288-E290 IonicContact NH2-OE1 3.01Å; R288-E290 PolarHBondContact NH2-OE1 3.34Å
291I95Very high89.1Confident0 Ų033.1 Ų33.10%021%0.21CC..EExtended strand (participates in β ladder)trans-102.5106.5176.4-55.9166.8000106.9L114 V231 V232 V246 L253 V255 V282 V289 L293L114-I291 HydrophobicContact CD1-CG2 4.2Å; V231-I291 CarbonylContact C-O 3.51Å; V231-I291 WeakPolarHBondContact CA-O 3.38Å; V232-I291 HydrophobicContact CB-CB 4.3Å; V232-I291 PolarHBondContact N-O 3.31Å; V232-I291 PolarHBondContact O-N 3.45Å; V246-I291 HydrophobicContact CG1-CD1 4.19Å; V246-I291 HydrophobicContact CG1-CG2 4.21Å; V246-I291 HydrophobicContact CG2-CD1 4.31Å; V246-I291 HydrophobicContact CG2-CG1 4.49Å; L253-I291 HydrophobicContact CD1-CG2 4.27Å; L253-I291 HydrophobicContact CD2-CD1 4.38Å; L253-I291 HydrophobicContact CD2-CG2 4.34Å; V255-I291 HydrophobicContact CB-CD1 4.43Å; V255-I291 HydrophobicContact CG1-CD1 3.91Å; V255-I291 HydrophobicContact CG2-CD1 3.6Å; V282-I291 HydrophobicContact CG1-CG1 4.22Å; V282-I291 HydrophobicContact CG2-CG1 4.35Å; V282-I291 HydrophobicContact CG2-CG2 4.37Å; V289-I291 HydrophobicContact CG1-CG1 4.37Å; I291-L293 HydrophobicContact CG2-CD2 3.69Å; I291-L293 HydrophobicContact CG2-CG 4.06Å
292S93.4Very high88.7Confident21 Ų2135.7 Ų35.715%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-93.4109.5-179.6-69.20000110S280 S281S280-S292 CarbonylContact C-O 3.5Å; S280-S292 WeakPolarHBondContact CA-O 3.34Å; S280-S292 WeakPolarHBondContact CB-O 3.45Å; S281-S292 PolarHBondContact N-O 3.37Å; S281-S292 PolarHBondContact O-N 3.2Å
293L92.4Very high88.2Confident0 Ų040.1 Ų40.10%025%0.253CS..EExtended strand (participates in β ladder)trans-107.5116.1-178.9-54.2176.9000110.4L114 L229 V230 L253 L271 I275 S280 I291L114-L293 HydrophobicContact CD1-CD2 3.91Å; L229-L293 WeakPolarHBondContact CD1-O 3.47Å; V230-L293 HydrophobicContact CB-CB 4.35Å; V230-L293 PolarHBondContact N-O 2.82Å; V230-L293 WeakPolarHBondContact O-CA 3.31Å; V230-L293 PolarHBondContact O-N 3.03Å; L253-L293 HydrophobicContact CD1-CD2 4.17Å; L253-L293 HydrophobicContact CD2-CD1 4.16Å; L271-L293 HydrophobicContact CD1-CD1 4.09Å; L271-L293 HydrophobicContact CD2-CD1 4.05Å; I275-L293 HydrophobicContact CD1-CB 4.32Å; I275-L293 HydrophobicContact CD1-CD1 4.35Å; I275-L293 HydrophobicContact CD1-CD2 3.87Å; I275-L293 HydrophobicContact CD1-CG 4.41Å; I275-L293 HydrophobicContact CG2-CB 4.12Å; S280-L293 WeakPolarHBondContact OG-CA 3.34Å; I291-L293 HydrophobicContact CG2-CD2 3.69Å; I291-L293 HydrophobicContact CG2-CG 4.06Å
294V90.8Very high87.9Confident31 Ų3139 Ų3919%0.18825%0.245CC..EExtended strand (participates in β ladder)trans-78.9124.5178.3178.10000109.3L229 I275 N276 Q279 S280L229-V294 HydrophobicContact CD1-CG2 3.85Å; I275-V294 CarbonylContact C-O 3.49Å; I275-V294 WeakPolarHBondContact CA-O 3.47Å; I275-V294 WeakPolarHBondContact CB-O 3.43Å; N276-V294 HydrophobicContact CB-CB 4.44Å; N276-V294 HydrophobicContact CB-CG1 4.4Å; N276-V294 PolarHBondContact N-O 2.8Å; Q279-V294 HydrophobicContact CB-CB 4.04Å; Q279-V294 HydrophobicContact CB-CG1 4.32Å; Q279-V294 HydrophobicContact CB-CG2 3.82Å; Q279-V294 VanDerWaalsContact O-CG2 3.3Å; Q279-V294 WeakPolarHBondContact O-CG2 3.33Å; S280-V294 PolarHBondContact OG-N 2.99Å; S280-V294 VanDerWaalsContact OG-N 3.1Å
295K90.3Very high87.6Confident10 Ų1040.5 Ų40.54%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-68.5134.7176.3-61.8174.8178.6174.40109.1T226 S228 V230 D297 G299 W301T226-K295 PolarHBondContact O-NZ 2.88Å; S228-K295 WeakPolarHBondContact O-CB 3.46Å; S228-K295 PolarHBondContact O-N 3.44Å; V230-K295 HydrophobicContact CG2-CD 4.15Å; V230-K295 HydrophobicContact CG2-CG 3.92Å; K295-D297 VanDerWaalsContact C-N 3.28Å; K295-D297 WeakPolarHBondContact CB-O 3.45Å; K295-G299 WeakPolarHBondContact CD-O 3.43Å; K295-G299 PolarHBondContact NZ-O 2.78Å; K295-W301 HydrophobicContact CG-CZ2 4.2Å
296A84.8Confident87Confident49 Ų4940.9 Ų40.941%0.40525%0.253SS..SBendtrans-67.3-35.6173.800000111.1V274V274-A296 HydrophobicContact CB-CB 4.07Å; V274-A296 HydrophobicContact CG1-CB 3.79Å; V274-A296 WeakPolarHBondContact O-CB 3.45Å; V274-A296 PolarHBondContact O-N 3.45Å
297D79.8Confident86.2Confident40 Ų4042 Ų4221%0.21426%0.26CS..SBendtrans-122.5126.9178-61.9-84.1000110L100 K295 G299L100-D297 HydrophobicContact CD1-CB 3.64Å; L100-D297 HydrophobicContact CD2-CB 3.89Å; L100-D297 WeakPolarHBondContact CD2-OD1 3.13Å; L100-D297 WeakPolarHBondContact CD2-OD2 3.44Å; L100-D297 HydrophobicContact CG-CB 4.42Å; K295-D297 VanDerWaalsContact C-N 3.28Å; K295-D297 WeakPolarHBondContact CB-O 3.45Å; D297-G299 PolarHBondContact O-N 2.82Å
298P76.5Confident85.3Confident76 Ų7643.6 Ų43.649%0.49426%0.263SS..  trans-66128.2178.926-31.5000109.9P94 D227P94-P298 HydrophobicContact CB-CG 4.21Å; P94-P298 HydrophobicContact CG-CG 4.3Å; D227-P298 WeakPolarHBondContact O-CA 3.3Å
299G77.5Confident84.1Confident33 Ų3339.8 Ų39.834%0.3425%0.25SS..  trans169.1155.4-175.200000112.3D227 K295 D297D227-G299 PolarHBondContact O-N 2.85Å; D227-G299 VanDerWaalsContact O-N 3.07Å; K295-G299 WeakPolarHBondContact CD-O 3.43Å; K295-G299 PolarHBondContact NZ-O 2.78Å; D297-G299 PolarHBondContact O-N 2.82Å
300S81.6Confident82.7Confident93 Ų9343.3 Ų43.365%0.6527%0.268SS*.  trans-82132.8177.7-176.10000111.1Q225Q225-S300 PolarHBondContact NE2-OG 3.12Å
301W84.8Confident81.1Confident8 Ų843.9 Ų43.93%0.0328%0.279CS..  trans-92.1126.6173.7-67.614.7000108.9Q225 V230 L271 W272 I275 K295 Q303 L304Q225-W301 PolarHBondContact NE2-O 2.97Å; V230-W301 HydrophobicContact CG2-CD2 3.93Å; V230-W301 HydrophobicContact CG2-CE3 3.89Å; V230-W301 HydrophobicContact CG2-CH2 4.13Å; V230-W301 HydrophobicContact CG2-CZ2 4.17Å; V230-W301 HydrophobicContact CG2-CZ3 3.99Å; L271-W301 HydrophobicContact CB-CH2 3.9Å; L271-W301 HydrophobicContact CB-CZ3 3.93Å; L271-W301 HydrophobicContact CD1-CH2 4.46Å; L271-W301 HydrophobicContact CD2-CZ3 4.23Å; W272-W301 HydrophobicContact CB-CD2 4.24Å; W272-W301 HydrophobicContact CB-CE3 3.93Å; W272-W301 HydrophobicContact CB-CZ3 4.46Å; W272-W301 HydrophobicContact CD2-CB 4.39Å; W272-W301 HydrophobicContact CD2-CG 4.37Å; W272-W301 HydrophobicContact CE3-CB 3.93Å; W272-W301 AromaticContact CE3-CD1 3.52Å; W272-W301 HydrophobicContact CE3-CD2 4.03Å; W272-W301 AromaticContact CE3-CG 3.56Å; W272-W301 HydrophobicContact CE3-CG 3.56Å; W272-W301 AromaticContact CE3-NE1 3.97Å; W272-W301 AromaticContact CZ3-CD1 3.73Å; W272-W301 HydrophobicContact CZ3-CG 4.17Å; I275-W301 HydrophobicContact CG2-CH2 3.7Å; I275-W301 HydrophobicContact CG2-CZ2 3.99Å; K295-W301 HydrophobicContact CG-CZ2 4.2Å; W301-Q303 VanDerWaalsContact C-N 3.26Å; W301-Q303 PolarHBondContact O-N 2.87Å; W301-L304 HydrophobicContact CZ3-CD1 4.38Å
302A83.2Confident79.7Confident84 Ų8450.8 Ų50.869%0.69431%0.309SS*.SBendtrans-67.9-30.6177.200000112.3
303Q85.4Confident78.3Confident92 Ų9254.3 Ų54.343%0.4332%0.322SS..  trans-145.4158179.5-66.8-178.3-19.900109.4W272 W301W272-Q303 WeakPolarHBondContact CB-O 3.28Å; W301-Q303 VanDerWaalsContact C-N 3.26Å; W301-Q303 PolarHBondContact O-N 2.87Å
304L85.7Confident76.8Confident15 Ų1557.3 Ų57.38%0.07935%0.347CS..SBendtrans-70.9-43.7173.8-176.963.8000111.6W223 V230 V232 M269 L271 W272 W301W223-L304 HydrophobicContact CB-CD1 4.48Å; W223-L304 HydrophobicContact CB-CD2 3.99Å; W223-L304 HydrophobicContact CD2-CB 3.75Å; W223-L304 HydrophobicContact CD2-CD1 4.35Å; W223-L304 HydrophobicContact CD2-CG 4.44Å; W223-L304 HydrophobicContact CE3-CB 4.17Å; W223-L304 HydrophobicContact CE3-CD1 4.22Å; W223-L304 HydrophobicContact CG-CB 4Å; W223-L304 HydrophobicContact CG-CD1 4.46Å; W223-L304 HydrophobicContact CG-CD2 3.97Å; W223-L304 HydrophobicContact CG-CG 4.37Å; W223-L304 HydrophobicContact CZ2-CB 4.31Å; V230-L304 HydrophobicContact CG1-CD1 3.67Å; V232-L304 HydrophobicContact CG2-CD1 3.87Å; V232-L304 HydrophobicContact CG2-CD2 3.9Å; M269-L304 HydrophobicContact CE-CD2 4.41Å; M269-L304 HydrophobicContact SD-CD2 3.71Å; M269-L304 HydrophobicContact SD-CG 4.17Å; L271-L304 CarbonylContact C-O 3.6Å; L271-L304 WeakPolarHBondContact CA-O 3.46Å; L271-L304 HydrophobicContact CD2-CD1 4.25Å; W272-L304 PolarHBondContact N-O 3.08Å; W301-L304 HydrophobicContact CZ3-CD1 4.38Å
305E86.6Confident75.1Confident30 Ų3066 Ų6614%0.1438%0.377CS..BIsolated β-bridgetrans-99.9149.1-177.1-68.1-162.4-14900113M269 K270 L310 K313M269-E305 HydrophobicContact CB-CG 3.82Å; M269-E305 WeakPolarHBondContact CB-OE1 3.4Å; K270-E305 CarbonylContact O-C 3.56Å; K270-E305 WeakPolarHBondContact O-CA 3.29Å; E305-L310 HydrophobicContact CB-CD1 4.36Å; E305-L310 HydrophobicContact CB-CD2 4.19Å; E305-L310 HydrophobicContact CB-CG 4.05Å; E305-K313 IonicContact OE1-NZ 2.83Å; E305-K313 PolarHBondContact OE1-NZ 2.87Å; E305-K313 IonicContact OE2-NZ 2.8Å; E305-K313 PolarHBondContact OE2-NZ 2.9Å
306H79.2Confident73.3Confident41 Ų4169.2 Ų69.219%0.1941%0.405CS..  trans-68.4136.8173-162.5-89.5000110.6K270 D308 A309 L310K270-H306 PolarHBondContact O-N 3.13Å; H306-D308 IonicContact CE1-OD2 2.69Å; H306-D308 PolarHBondContact CE1-OD2 2.85Å; H306-D308 PolarHBondContact ND1-N 3.18Å; H306-D308 IonicContact ND1-OD2 2.86Å; H306-D308 PolarHBondContact ND1-OD2 3.29Å; H306-D308 PolarHBondContact O-N 3.38Å; H306-D308 VanDerWaalsContact O-N 3.12Å; H306-A309 WeakPolarHBondContact O-CA 3.27Å; H306-A309 WeakPolarHBondContact O-CB 3.04Å; H306-A309 PolarHBondContact O-N 2.75Å; H306-L310 PolarHBondContact O-N 2.95Å
307P71.4Confident71.4Confident64 Ų6469.8 Ų69.842%0.41642%0.415SS..Hα-helixtrans-53.5-37.2-177.6-27.833.8000114.1A309 L310 A311P307-A309 VanDerWaalsContact C-N 3.27Å; P307-A309 PolarHBondContact O-N 3.47Å; P307-L310 PolarHBondContact O-N 2.91Å; P307-A311 WeakPolarHBondContact O-CB 3.4Å; P307-A311 PolarHBondContact O-N 3.34Å
308D70.9Confident69.5Low105 Ų10573.9 Ų73.956%0.56144%0.442SS*.Hα-helixtrans-63.2-30.7176.6-65-27.7000113.6H306 K312H306-D308 IonicContact CE1-OD2 2.69Å; H306-D308 PolarHBondContact CE1-OD2 2.85Å; H306-D308 PolarHBondContact ND1-N 3.18Å; H306-D308 IonicContact ND1-OD2 2.86Å; H306-D308 PolarHBondContact ND1-OD2 3.29Å; H306-D308 PolarHBondContact O-N 3.38Å; H306-D308 VanDerWaalsContact O-N 3.12Å; D308-K312 WeakPolarHBondContact O-CB 3.36Å; D308-K312 VanDerWaalsContact O-CG 3.31Å; D308-K312 WeakPolarHBondContact O-CG 3.49Å; D308-K312 PolarHBondContact O-N 3.09Å; D308-K312 VanDerWaalsContact O-N 3.09Å
309A67.6Low67.7Low7 Ų776 Ų766%0.05845%0.453CS..Hα-helixtrans-74.7-41.1177.100000110.8K270 H306 P307 K312 K313K270-A309 HydrophobicContact CB-CB 3.75Å; K270-A309 HydrophobicContact CD-CB 3.99Å; K270-A309 HydrophobicContact CG-CB 3.95Å; H306-A309 WeakPolarHBondContact O-CA 3.27Å; H306-A309 WeakPolarHBondContact O-CB 3.04Å; H306-A309 PolarHBondContact O-N 2.75Å; P307-A309 VanDerWaalsContact C-N 3.27Å; P307-A309 PolarHBondContact O-N 3.47Å; A309-K312 PolarHBondContact O-N 3.25Å; A309-K313 WeakPolarHBondContact O-CG 3.31Å; A309-K313 PolarHBondContact O-N 2.77Å
310L64.9Low65.7Low73 Ų7381.5 Ų81.538%0.38247%0.473SS..Hα-helixtrans-62.3-43172.7-67.4172.4000111.3E305 H306 P307 K312 K313 A314E305-L310 HydrophobicContact CB-CD1 4.36Å; E305-L310 HydrophobicContact CB-CD2 4.19Å; E305-L310 HydrophobicContact CB-CG 4.05Å; H306-L310 PolarHBondContact O-N 2.95Å; P307-L310 PolarHBondContact O-N 2.91Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.35Å; L310-K313 PolarHBondContact O-N 3.35Å; L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 2.93Å
311A61.5Low63.4Low49 Ų4984.9 Ų84.941%0.40548%0.479SS..Hα-helixtrans-64-36.2176.600000112.8P307 R315P307-A311 WeakPolarHBondContact O-CB 3.4Å; P307-A311 PolarHBondContact O-N 3.34Å; A311-R315 WeakPolarHBondContact O-CG 3.46Å; A311-R315 PolarHBondContact O-N 3.08Å
312K65Low61Low145 Ų14592.8 Ų92.863%0.6352%0.518SS*.Hα-helixtrans-69.6-41.4173.7-77.8176.3-179.1-1790112.3D308 A309 L310 R315 A316D308-K312 WeakPolarHBondContact O-CB 3.36Å; D308-K312 VanDerWaalsContact O-CG 3.31Å; D308-K312 WeakPolarHBondContact O-CG 3.49Å; D308-K312 PolarHBondContact O-N 3.09Å; D308-K312 VanDerWaalsContact O-N 3.09Å; A309-K312 PolarHBondContact O-N 3.25Å; L310-K312 VanDerWaalsContact C-N 3.34Å; L310-K312 PolarHBondContact O-N 3.35Å; K312-R315 PolarHBondContact O-N 3.43Å; K312-A316 WeakPolarHBondContact O-CB 3.44Å; K312-A316 PolarHBondContact O-N 3.11Å
313K64.6Low58.5Low96 Ų9695.1 Ų95.142%0.41752%0.519SS..Hα-helixtrans-62.9-42.7174.3-74.8176.1175.81750111.4Q268 E305 A309 L310 R315 A316 G317Q268-K313 WeakPolarHBondContact O-CE 3.14Å; Q268-K313 PolarHBondContact O-NZ 3.36Å; E305-K313 IonicContact OE1-NZ 2.83Å; E305-K313 PolarHBondContact OE1-NZ 2.87Å; E305-K313 IonicContact OE2-NZ 2.8Å; E305-K313 PolarHBondContact OE2-NZ 2.9Å; A309-K313 WeakPolarHBondContact O-CG 3.31Å; A309-K313 PolarHBondContact O-N 2.77Å; L310-K313 PolarHBondContact O-N 3.35Å; K313-R315 PolarHBondContact O-N 3.47Å; K313-A316 PolarHBondContact O-N 2.91Å; K313-G317 PolarHBondContact O-N 2.84Å
314A60.2Low56.2Low63 Ų6398.8 Ų98.852%0.52154%0.537SS..Hα-helixtrans-62.9-39.717600000112.6L310 A316 G317 V318L310-A314 WeakPolarHBondContact O-CB 3.33Å; L310-A314 PolarHBondContact O-N 2.93Å; A314-A316 VanDerWaalsContact C-N 3.34Å; A314-G317 PolarHBondContact O-N 3.03Å; A314-V318 WeakPolarHBondContact O-CG2 3.23Å
315R56.1Low53.9Low214 Ų214107.1 Ų107.181%0.80858%0.575SS**Hα-helixtrans-69.9-29.2174.8-73.8178.1176.7-172.2-0.2113.5A311 K312 K313A311-R315 WeakPolarHBondContact O-CG 3.46Å; A311-R315 PolarHBondContact O-N 3.08Å; K312-R315 PolarHBondContact O-N 3.43Å; K313-R315 PolarHBondContact O-N 3.47Å
316A52.8Low51.5Low77 Ų77114.6 Ų114.664%0.63661%0.61SS**Hα-helixtrans-80.3-26.217600000113K312 K313 A314K312-A316 WeakPolarHBondContact O-CB 3.44Å; K312-A316 PolarHBondContact O-N 3.11Å; K313-A316 PolarHBondContact O-N 2.91Å; A314-A316 VanDerWaalsContact C-N 3.34Å
317G44.1Very low49.3Very low61 Ų61118.5 Ų118.563%0.62964%0.642SS**G310 helixtrans-82.8-0.2-177.700000116.4K313 A314K313-G317 PolarHBondContact O-N 2.84Å; A314-G317 PolarHBondContact O-N 3.03Å
318V40.5Very low47.5Very low126 Ų126122.1 Ų122.176%0.76466%0.658SS**G310 helixtrans-89.95-178.5174.70000113A314A314-V318 WeakPolarHBondContact O-CG2 3.23Å
319V39Very low45.8Very low120 Ų120123.9 Ų123.973%0.72767%0.667SS**G310 helixtrans-108.69.5-175.8-175.50000114.3
320L34.8Very low44.3Very low148 Ų148128.4 Ų128.478%0.77570%0.698SS**SBendtrans-130.4106.6174-68.7172.1000112.4
321E33.4Very low43.2Very low164 Ų164132.2 Ų132.277%0.76672%0.719SS**  trans73.583.1146.7-61177.4166.500117.1
322M34.7Very low42.3Very low174 Ų174137.4 Ų137.486%0.85774%0.74SS**  trans-92.785.9146.8-166.2154.574.600106.1E324M322-E324 PolarHBondContact O-N 2.94Å
323D30.6Very low41.2Very low133 Ų133136.9 Ų136.971%0.71174%0.744SS**  trans-83.8103.6160.7-87.3-87.2000106.6E325D323-E325 PolarHBondContact O-N 3.3Å
324E37.2Very low39.9Very low170 Ų170139.3 Ų139.379%0.79476%0.761SS**  trans-61.7103.6162.1-75.8170.212800107.7M322 E326M322-E324 PolarHBondContact O-N 2.94Å; E324-E326 PolarHBondContact O-N 3.36Å
325E36.1Very low38.8Very low189 Ų189141.7 Ų141.788%0.88377%0.774SS**  trans-75.7101.4157.7-73.8-170.116900107.7D323 S327D323-E325 PolarHBondContact O-N 3.3Å; E325-S327 PolarHBondContact O-N 3.37Å
326E36.4Very low38.1Very low187 Ų187141.7 Ų141.787%0.87477%0.774SS**  trans-53.8116.6157-77.5-170.7144.100108.8E324E324-E326 PolarHBondContact O-N 3.36Å
327S32.9Very low37.5Very low124 Ų124143.9 Ų143.987%0.86778%0.779SS**  trans-95.9102.4162.263.10000108.5E325E325-S327 PolarHBondContact O-N 3.37Å
328D34.4Very low37.4Very low140 Ų140148.9 Ų148.975%0.74979%0.786SS**  trans-92.1146.8166.3-155.21.8000110.3
329D34.9Very low37.5Very low141 Ų141151.8 Ų151.875%0.75479%0.792SS**  trans64.8110.1165.4-85.1-49.7000121.2
330S35.8Very low37.8Very low102 Ų102155.1 Ų155.171%0.71380%0.799SS**  162.9124.584.2-171.30000110.7
331D43Very low38.2Very low153 Ų153156.9 Ų156.982%0.81880%0.804SS**  trans-51.5136159.5-81.6-58.2000111.1
332D42.3Very low38.6Very low158 Ų158157.6 Ų157.685%0.84581%0.807SS**  trans-160.294.4143.4-99.8-39.3000110.5
333D41.2Very low38.9Very low135 Ų135157.7 Ų157.772%0.72281%0.805SS**  trans24.1112138.1-126.9-11000121.1
334L37.8Very low39.6Very low147 Ų147160.5 Ų160.577%0.7781%0.814SS**  trans27.9126.6131-51.7178.5000120.3
335S37.1Very low40Very low112 Ų112156.4 Ų156.478%0.78381%0.81SS**  -167.6125.6107.870.70000112.9
336W40.6Very low40.5Very low214 Ų214156.6 Ų156.681%0.81181%0.813SS**  trans-69.8136.9161.1-77.868.1000111
337T39.8Very low40.8Very low123 Ų123151 Ų15176%0.75581%0.805SS**  trans-146.4106.6148.837.70000109.1
338E42Very low41.1Very low166 Ų166158.3 Ų158.378%0.77683%0.825SS**  trans-66.2126.9153.8-67.1166.2134.600107.5
339E44.6Very low41.4Very low188 Ų188159.2 Ų159.288%0.87983%0.829SS**  trans-142.1119.9160.1-100.7170.8-167.600109.1
340E44.6Very low41.8Very low189 Ų189160.2 Ų160.288%0.88383%0.833SS**  trans-71.9147.5169-58.5171.2140.200109.9
341E43.8Very low42.1Very low185 Ų185163.4 Ų163.486%0.86484%0.839SS**  trans-175.6102.8147.8-106.4171.7-174.500106.7
342E40.3Very low42Very low180 Ų180164 Ų16484%0.84184%0.841SS**  63.7123.289.6-90.6-172.5170.300115.7
343E42Very low42Very low176 Ų176164.4 Ų164.482%0.82284%0.84SS**  trans29.9134.8154.8-58.3-163.3146.600121.3
344E45.7Very low42.1Very low192 Ų192166.3 Ų166.390%0.89785%0.848SS**  -155.8130.6105.6-80.2-137.9148.800111.3
345A45Very low42.4Very low84 Ų84167.7 Ų167.769%0.69485%0.854SS**  trans-96157.3162.100000109.3
346M45.3Very low42.8Very low193 Ų193172 Ų17295%0.95186%0.859SS**  trans83.7131.6-178.3-52.9-159.4-68.200113.5
347G43.3Very low43Very low68 Ų68168.5 Ų168.570%0.70186%0.864SS**  cis155.7131.66.800000106.7
348E39.3Very low43.3Very low278 Ų278172.6 Ų172.6100%1.29987%0.873SS**  trans-1720142-103.5-174.4141.200109.7

Retrieved 348 of 348 residues in 161.2 ms (Link to these results)

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