A0A087XGW3_POEFO Loading...

Zgc:92429

AlphaFold DB , UniProt , Accession A0A087XGW3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 434 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
1M64.9Low81.2Confident197 Ų19766.1 Ų66.197%0.9739%0.389SS*.  0123.60-71.5-178.3-167.300105.9L3M1-L3 PolarHBondContact O-N 2.67Å
2A78.4Confident81.3Confident63 Ų6370.3 Ų70.352%0.52140%0.402SS..  trans-76115.8-177.500000109.9K13 F14A2-K13 HydrophobicContact CB-CB 4.14Å; A2-F14 CarbonylContact C-O 3.58Å; A2-F14 WeakPolarHBondContact CA-O 3.2Å
3L84.3Confident81.8Confident63 Ų6377.3 Ų77.333%0.3343%0.425SS..EExtended strand (participates in β ladder)trans-90.7150176.3-63.7-178000110.3M1 K13 F14 P16 D66M1-L3 PolarHBondContact O-N 2.67Å; L3-K13 CarbonylContact O-C 3.5Å; L3-K13 WeakPolarHBondContact O-CA 3.36Å; L3-F14 HydrophobicContact CB-CE1 4.06Å; L3-F14 HydrophobicContact CB-CZ 4.2Å; L3-F14 PolarHBondContact N-O 3.45Å; L3-F14 VanDerWaalsContact O-CD1 3.26Å; L3-F14 WeakPolarHBondContact O-CD1 3.43Å; L3-F14 PolarHBondContact O-N 3.49Å; L3-P16 HydrophobicContact CD1-CG 3.58Å; L3-P16 HydrophobicContact CG-CG 4.06Å; L3-D66 HydrophobicContact CB-CB 4.39Å; L3-D66 HydrophobicContact CD1-CB 3.83Å
4L85.8Confident82.1Confident72 Ų7272.9 Ų72.938%0.37740%0.4SS..EExtended strand (participates in β ladder)trans-83.1132.5176.6-17271.4000110.3Y6 G11 K13L4-Y6 HydrophobicContact CD2-CE1 4.27Å; L4-Y6 WeakPolarHBondContact O-CD2 3.38Å; L4-G11 WeakPolarHBondContact CD1-O 3.31Å; L4-K13 HydrophobicContact CD1-CG 4.09Å
5C86.6Confident82.3Confident3 Ų372.5 Ų72.52%0.0240%0.397CS..PPolyproline II helixtrans-77.2121.3173.2-173.50000111N7 C10 E12 F14 C24 H64 S65C5-N7 VanDerWaalsContact SG-CB 3.59Å; C5-C10 HydrophobicContact CB-CB 4.38Å; C5-C10 VanDerWaalsContact SG-SG 3.6Å; C5-E12 WeakPolarHBondContact CB-O 2.78Å; C5-E12 PolarHBondContact N-O 3.44Å; C5-F14 HydrophobicContact CB-CD1 3.96Å; C5-F14 HydrophobicContact CB-CE1 4.12Å; C5-C24 VanDerWaalsContact SG-SG 3.64Å; C5-H64 HydrophobicContact CB-CB 4.05Å; C5-H64 PolarHBondContact SG-ND1 3.1Å; C5-S65 CarbonylContact C-O 3.53Å; C5-S65 WeakPolarHBondContact CA-O 3.15Å
6Y83.8Confident82.2Confident91 Ų9171.4 Ų71.436%0.35740%0.395SS..  trans-94.14.7175.9-67.9-81.3000113.9L4 K8 S65 D66 K68L4-Y6 HydrophobicContact CD2-CE1 4.27Å; L4-Y6 WeakPolarHBondContact O-CD2 3.38Å; Y6-K8 PolarHBondContact O-N 3.26Å; Y6-S65 PolarHBondContact N-O 3.25Å; Y6-D66 VanDerWaalsContact CD2-O 3.23Å; Y6-D66 WeakPolarHBondContact CD2-O 3.2Å; Y6-D66 WeakPolarHBondContact CE2-O 3.44Å; Y6-K68 HydrophobicContact CD1-CB 4.1Å; Y6-K68 HydrophobicContact CD1-CG 3.92Å; Y6-K68 HydrophobicContact CD2-CB 4.4Å; Y6-K68 HydrophobicContact CE1-CB 4.17Å; Y6-K68 HydrophobicContact CE1-CD 4.32Å; Y6-K68 HydrophobicContact CE1-CG 3.94Å; Y6-K68 HydrophobicContact CE2-CB 4.44Å; Y6-K68 HydrophobicContact CG-CB 4.22Å; Y6-K68 HydrophobicContact CG-CG 4.5Å
7N85.4Confident82.1Confident30 Ų3076.3 Ų76.316%0.1642%0.42CS..SBendtrans-63.6136.6171.8-67.2-24.4000110.2C5 G9 C10 C24 F26 R63 S65C5-N7 VanDerWaalsContact SG-CB 3.59Å; N7-G9 PolarHBondContact O-N 3.18Å; N7-C10 HydrophobicContact CB-CB 4.38Å; N7-C10 PolarHBondContact O-N 3.41Å; N7-C10 VanDerWaalsContact O-N 3.12Å; N7-C24 PolarHBondContact ND2-SG 3.04Å; N7-F26 HydrophobicContact CB-CB 3.54Å; N7-F26 HydrophobicContact CB-CD1 4.33Å; N7-F26 HydrophobicContact CB-CD2 4.21Å; N7-F26 HydrophobicContact CB-CG 3.79Å; N7-R63 PolarHBondContact ND2-O 3.12Å; N7-S65 VanDerWaalsContact OD1-CB 3.22Å; N7-S65 WeakPolarHBondContact OD1-CB 3.45Å
8K83.6Confident82.1Confident87 Ų8780.9 Ų80.938%0.37844%0.435SS..THydrogen-bonded Turntrans-63118.1-172.3-57178.7-171.3-70.70110.4Y6 F26 H27 W40Y6-K8 PolarHBondContact O-N 3.26Å; K8-F26 CarbonylContact O-C 3.51Å; K8-F26 WeakPolarHBondContact O-CA 3.43Å; K8-F26 WeakPolarHBondContact O-CB 3.36Å; K8-H27 PolarHBondContact O-N 3.16Å; K8-W40 HydrophobicContact CB-CH2 3.81Å; K8-W40 HydrophobicContact CB-CZ3 3.81Å; K8-W40 HydrophobicContact CD-CH2 4.5Å; K8-W40 HydrophobicContact CD-CZ3 3.88Å; K8-W40 HydrophobicContact CG-CZ3 4.4Å
9G79.1Confident82.2Confident46 Ų4677.8 Ų77.847%0.47442%0.418SS..THydrogen-bonded Turntrans86.84.818000000116.2N7N7-G9 PolarHBondContact O-N 3.18Å
10C83.9Confident82.2Confident22 Ų2281.8 Ų81.815%0.14943%0.432CS..THydrogen-bonded Turntrans-94.6-67.8171.8176.80000111.5C5 N7 E12 C24 H64C5-C10 HydrophobicContact CB-CB 4.38Å; C5-C10 VanDerWaalsContact SG-SG 3.6Å; N7-C10 HydrophobicContact CB-CB 4.38Å; N7-C10 PolarHBondContact O-N 3.41Å; N7-C10 VanDerWaalsContact O-N 3.12Å; C10-E12 PolarHBondContact O-N 2.82Å; C10-C24 VanDerWaalsContact CB-SG 3.5Å; C10-C24 PolarHBondContact SG-SG 2Å; C10-H64 PolarHBondContact SG-ND1 3.13Å; C10-H64 VanDerWaalsContact SG-ND1 3.45Å
11G77.6Confident82Confident53 Ų5383.4 Ų83.455%0.54644%0.441SS..  trans63.36.617700000115.9L4L4-G11 WeakPolarHBondContact CD1-O 3.31Å
12E82.7Confident82.9Confident116 Ų11679.4 Ų79.454%0.54242%0.423SS..  trans-82.7155.5-178.9-66.9177.9162.900112C5 C10 H64C5-E12 WeakPolarHBondContact CB-O 2.78Å; C5-E12 PolarHBondContact N-O 3.44Å; C10-E12 PolarHBondContact O-N 2.82Å; E12-H64 IonicContact OE2-CE1 3.3Å
13K87.1Confident83.1Confident162 Ų16278.8 Ų78.870%0.70442%0.415SS*.EExtended strand (participates in β ladder)trans-89.2130.4171.9-62-179.2-177.2179.70109.5A2 L3 L4A2-K13 HydrophobicContact CB-CB 4.14Å; L3-K13 CarbonylContact O-C 3.5Å; L3-K13 WeakPolarHBondContact O-CA 3.36Å; L4-K13 HydrophobicContact CD1-CG 4.09Å
14F85.9Confident83.3Confident16 Ų1675.8 Ų75.87%0.0740%0.399CS..EExtended strand (participates in β ladder)trans-130.5152.1-177.573.5-80.7000111.6A2 L3 C5 N19 H64 D66A2-F14 CarbonylContact C-O 3.58Å; A2-F14 WeakPolarHBondContact CA-O 3.2Å; L3-F14 HydrophobicContact CB-CE1 4.06Å; L3-F14 HydrophobicContact CB-CZ 4.2Å; L3-F14 PolarHBondContact N-O 3.45Å; L3-F14 VanDerWaalsContact O-CD1 3.26Å; L3-F14 WeakPolarHBondContact O-CD1 3.43Å; L3-F14 PolarHBondContact O-N 3.49Å; C5-F14 HydrophobicContact CB-CD1 3.96Å; C5-F14 HydrophobicContact CB-CE1 4.12Å; F14-N19 HydrophobicContact CD2-CB 4.15Å; F14-N19 HydrophobicContact CE2-CB 4.4Å; F14-H64 HydrophobicContact CB-CB 4.11Å; F14-H64 HydrophobicContact CD1-CB 3.25Å; F14-H64 AromaticContact CD1-CG 3.7Å; F14-H64 HydrophobicContact CD2-CB 3.58Å; F14-H64 HydrophobicContact CE1-CB 3.37Å; F14-H64 HydrophobicContact CE2-CB 3.68Å; F14-H64 HydrophobicContact CG-CB 3.35Å; F14-H64 AromaticContact CG-CD2 3.81Å; F14-H64 AromaticContact CG-CG 3.56Å; F14-H64 HydrophobicContact CZ-CB 3.57Å; F14-D66 HydrophobicContact CZ-CB 4.24Å
15D85.3Confident83.3Confident66 Ų6675.9 Ų75.935%0.35340%0.4SS..  trans-90.9127.5170.1-73.7-52.4000109.8D17 K18 N19D15-D17 PolarHBondContact O-N 3.49Å; D15-K18 PolarHBondContact O-N 2.8Å; D15-K18 VanDerWaalsContact O-N 3.12Å; D15-N19 PolarHBondContact O-N 3.22Å
16P81Confident83.4Confident56 Ų5677.6 Ų77.636%0.36441%0.407SS..G310 helixtrans-54.9-36.9-179.7-28.136000113.7L3 K18 N19L3-P16 HydrophobicContact CD1-CG 3.58Å; L3-P16 HydrophobicContact CG-CG 4.06Å; P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.27Å; P16-N19 WeakPolarHBondContact O-CB 3.46Å; P16-N19 PolarHBondContact O-N 3.37Å
17D80.9Confident83.6Confident154 Ų15473.3 Ų73.382%0.82439%0.39SS*.G310 helixtrans-74.2-15-175.9-54.2-53.4000113.6D15D15-D17 PolarHBondContact O-N 3.49Å
18K81.4Confident83.5Confident159 Ų15975.7 Ų75.769%0.69141%0.407SS*.G310 helixtrans-114.711.1180-65.4178.5-177.2170.50113D15 P16 K20D15-K18 PolarHBondContact O-N 2.8Å; D15-K18 VanDerWaalsContact O-N 3.12Å; P16-K18 VanDerWaalsContact C-N 3.26Å; P16-K18 PolarHBondContact O-N 3.27Å; K18-K20 PolarHBondContact O-N 3.48Å; K18-K20 VanDerWaalsContact O-N 3.17Å
19N84.4Confident83.4Confident22 Ų2272 Ų7212%0.11839%0.394CS..  trans-78.895.9-175.5-171.512.1000111.8F14 D15 P16 R63 H64F14-N19 HydrophobicContact CD2-CB 4.15Å; F14-N19 HydrophobicContact CE2-CB 4.4Å; D15-N19 PolarHBondContact O-N 3.22Å; P16-N19 WeakPolarHBondContact O-CB 3.46Å; P16-N19 PolarHBondContact O-N 3.37Å; N19-R63 PolarHBondContact O-NE 2.93Å; N19-R63 PolarHBondContact O-NH2 3.29Å; N19-R63 WeakPolarHBondContact OD1-CA 3.47Å; N19-H64 PolarHBondContact ND2-N 3.35Å; N19-H64 PolarHBondContact ND2-O 2.82Å; N19-H64 PolarHBondContact OD1-CD2 3.03Å; N19-H64 PolarHBondContact OD1-N 3.47Å
20K82.5Confident83.6Confident158 Ų15873.6 Ų73.669%0.68739%0.394SS*.  trans-86.7161.9176.9-58-179.8-178.2-177.50110.8K18 D22 S23K18-K20 PolarHBondContact O-N 3.48Å; K18-K20 VanDerWaalsContact O-N 3.17Å; K20-D22 PolarHBondContact O-N 2.88Å; K20-D22 VanDerWaalsContact O-N 3.09Å; K20-S23 PolarHBondContact N-OG 3.02Å; K20-S23 WeakPolarHBondContact O-CB 3.4Å; K20-S23 PolarHBondContact O-N 3.13Å; K20-S23 VanDerWaalsContact O-N 3.16Å; K20-S23 PolarHBondContact O-OG 2.94Å
21D78.3Confident83.6Confident115 Ų11574.9 Ų74.962%0.61540%0.403SS*.THydrogen-bonded Turntrans-63.9-13.4-178.5-75.4-18.5000114.8G62 R63D21-G62 CarbonylContact O-C 3.58Å; D21-G62 WeakPolarHBondContact O-CA 3.29Å; D21-G62 PolarHBondContact O-N 3.23Å; D21-R63 WeakPolarHBondContact OD1-CD 3.4Å; D21-R63 WeakPolarHBondContact OD1-CG 3.46Å; D21-R63 IonicContact OD1-NE 2.86Å
22D82.3Confident83.7Confident113 Ų11375.1 Ų75.160%0.60439%0.391SS*.THydrogen-bonded Turntrans-1128178.3-80-49.1000113.9K20 R61K20-D22 PolarHBondContact O-N 2.88Å; K20-D22 VanDerWaalsContact O-N 3.09Å; D22-R61 WeakPolarHBondContact OD1-CB 3.36Å; D22-R61 WeakPolarHBondContact OD1-CD 3.27Å
23S84Confident83.8Confident50 Ų5075.3 Ų75.335%0.3539%0.39SS..SBendtrans-76.2-29.4-170.7-69.50000114.2K20 G62 H64K20-S23 PolarHBondContact N-OG 3.02Å; K20-S23 WeakPolarHBondContact O-CB 3.4Å; K20-S23 PolarHBondContact O-N 3.13Å; K20-S23 VanDerWaalsContact O-N 3.16Å; K20-S23 PolarHBondContact O-OG 2.94Å; S23-G62 PolarHBondContact N-O 3.08Å; S23-H64 PolarHBondContact O-NE2 2.88Å
24C87.1Confident83.2Confident0 Ų074.1 Ų74.10%039%0.387CS..EExtended strand (participates in β ladder)trans-105.9133.8-176.8-1760000111.4C5 N7 C10 F26 R61 G62 H64C5-C24 VanDerWaalsContact SG-SG 3.64Å; N7-C24 PolarHBondContact ND2-SG 3.04Å; C10-C24 VanDerWaalsContact CB-SG 3.5Å; C10-C24 PolarHBondContact SG-SG 2Å; C24-F26 HydrophobicContact CB-CD1 4.41Å; C24-R61 CarbonylContact O-C 3.55Å; C24-R61 VanDerWaalsContact O-CA 3.27Å; C24-R61 WeakPolarHBondContact O-CA 3.4Å; C24-G62 WeakPolarHBondContact CA-O 3.03Å; C24-G62 WeakPolarHBondContact CB-O 3.36Å; C24-G62 PolarHBondContact N-O 3.46Å; C24-G62 PolarHBondContact O-N 3.29Å; C24-H64 HydrophobicContact CB-CB 4.39Å
25L87.6Confident82.8Confident74 Ų7479.7 Ų79.739%0.38742%0.417SS..EExtended strand (participates in β ladder)trans-105.5115.9166.2-72.7169.7000109.7T60 R61L25-T60 WeakPolarHBondContact CA-O 3.45Å; L25-R61 HydrophobicContact CD2-CG 3.37Å; L25-R61 HydrophobicContact CG-CG 4.43Å
26F87.9Confident82.3Confident40 Ų4080.3 Ų80.318%0.17543%0.432CS..EExtended strand (participates in β ladder)trans-142.1168-17769.1-81.4000113.1N7 K8 C24 P28 G58 C59 T60N7-F26 HydrophobicContact CB-CB 3.54Å; N7-F26 HydrophobicContact CB-CD1 4.33Å; N7-F26 HydrophobicContact CB-CD2 4.21Å; N7-F26 HydrophobicContact CB-CG 3.79Å; K8-F26 CarbonylContact O-C 3.51Å; K8-F26 WeakPolarHBondContact O-CA 3.43Å; K8-F26 WeakPolarHBondContact O-CB 3.36Å; C24-F26 HydrophobicContact CB-CD1 4.41Å; F26-P28 HydrophobicContact CE2-CB 4.25Å; F26-G58 VanDerWaalsContact C-CA 3.45Å; F26-G58 CarbonylContact O-C 3.55Å; F26-G58 WeakPolarHBondContact O-CA 3.36Å; F26-C59 PolarHBondContact O-N 3.17Å; F26-C59 VanDerWaalsContact O-N 3.11Å; F26-T60 HydrophobicContact CZ-CG2 4.33Å; F26-T60 PolarHBondContact N-O 3.04Å; F26-T60 PolarHBondContact O-N 3.45Å
27H86.9Confident82.2Confident1 Ų180.5 Ų80.51%0.00543%0.429CS..  trans-99.8117172.7-69.5-63.2000109.9K8 G29 W40 C42 C43 I56 K57 G58 C59K8-H27 PolarHBondContact O-N 3.16Å; H27-G29 PolarHBondContact O-N 3.29Å; H27-W40 HydrophobicContact CB-CB 4.43Å; H27-W40 HydrophobicContact CB-CD2 3.7Å; H27-W40 HydrophobicContact CB-CE3 3.6Å; H27-W40 HydrophobicContact CB-CG 4.08Å; H27-W40 HydrophobicContact CB-CZ3 4.1Å; H27-W40 AromaticContact CD2-CD1 3.59Å; H27-W40 AromaticContact CD2-CD2 3.59Å; H27-W40 AromaticContact CD2-CE2 3.43Å; H27-W40 VanDerWaalsContact CD2-CE2 3.43Å; H27-W40 AromaticContact CD2-CG 3.71Å; H27-W40 AromaticContact CD2-NE1 3.42Å; H27-W40 PolarHBondContact CD2-NE1 2.66Å; H27-W40 AromaticContact CE1-CD1 3.81Å; H27-W40 AromaticContact CG-CD1 3.91Å; H27-W40 AromaticContact CG-CD2 3.6Å; H27-W40 AromaticContact CG-CE2 3.95Å; H27-W40 AromaticContact CG-CG 3.61Å; H27-W40 AromaticContact ND1-CG 3.87Å; H27-W40 AromaticContact NE2-CD1 3.5Å; H27-W40 AromaticContact NE2-CG 3.97Å; H27-W40 AromaticContact NE2-NE1 3.55Å; H27-C42 VanDerWaalsContact CB-SG 3.57Å; H27-C42 PolarHBondContact ND1-SG 3.38Å; H27-C42 VanDerWaalsContact ND1-SG 3.44Å; H27-C43 PolarHBondContact CE1-SG 2.63Å; H27-C43 PolarHBondContact ND1-SG 3.38Å; H27-I56 PolarHBondContact NE2-O 3.11Å; H27-K57 PolarHBondContact CE1-O 3.05Å; H27-K57 PolarHBondContact NE2-O 3.42Å; H27-G58 WeakPolarHBondContact NE2-CA 3.28Å; H27-C59 PolarHBondContact ND1-N 3.21Å
28P85.3Confident82.4Confident79 Ų7975.4 Ų75.451%0.51340%0.4SS..  trans-73.6-18.8173.228.8-34.3000112.4F26 C42 T60F26-P28 HydrophobicContact CE2-CB 4.25Å; P28-C42 HydrophobicContact CG-CB 3.91Å; P28-T60 WeakPolarHBondContact CD-OG1 3.45Å; P28-T60 WeakPolarHBondContact CG-OG1 3.43Å
29G81.4Confident82.6Confident10 Ų1067.9 Ų67.910%0.10337%0.367CS..SBendtrans-80.6164.2179.400000113.9H27 W40 S41 C42H27-G29 PolarHBondContact O-N 3.29Å; G29-W40 VanDerWaalsContact O-CE3 3.31Å; G29-S41 VanDerWaalsContact CA-OG 3.22Å; G29-S41 WeakPolarHBondContact CA-OG 3.39Å; G29-C42 PolarHBondContact N-SG 2.84Å; G29-C42 VanDerWaalsContact N-SG 3.41Å
30V81.9Confident82.7Confident79 Ų7967.8 Ų67.848%0.47937%0.365SS..PPolyproline II helixtrans-82.3150.5169.3-630000111.6I32 S41V30-I32 HydrophobicContact CG2-CG2 4.47Å; V30-I32 PolarHBondContact O-N 2.82Å; V30-S41 PolarHBondContact N-OG 3.26Å; V30-S41 PolarHBondContact O-N 2.9Å; V30-S41 PolarHBondContact O-OG 3.4Å
31P83.6Confident82.8Confident50 Ų5063.4 Ų63.433%0.32535%0.354SS..EExtended strand (participates in β ladder)trans-57.1131.6165.8-24.135.4000111F33 W40 F53P31-F33 HydrophobicContact CB-CE2 3.74Å; P31-F33 HydrophobicContact CB-CZ 3.73Å; P31-W40 HydrophobicContact CG-CE3 4.1Å; P31-W40 HydrophobicContact CG-CH2 3.84Å; P31-W40 HydrophobicContact CG-CZ3 3.56Å; P31-F53 HydrophobicContact CB-CE1 4.47Å; P31-F53 HydrophobicContact CB-CZ 3.77Å; P31-F53 HydrophobicContact CG-CZ 4.22Å
32I79.7Confident83Confident57 Ų5760.1 Ų60.129%0.29234%0.34SS..EExtended strand (participates in β ladder)trans-117.8134.7174.856168.1000109.3V30 G39V30-I32 HydrophobicContact CG2-CG2 4.47Å; V30-I32 PolarHBondContact O-N 2.82Å; I32-G39 VanDerWaalsContact CG1-O 3.27Å; I32-G39 WeakPolarHBondContact CG1-O 3.47Å; I32-G39 PolarHBondContact N-O 3.15Å; I32-G39 PolarHBondContact O-N 3.34Å
33F84.7Confident83Confident120 Ų12056 Ų5653%0.52632%0.32SS..EExtended strand (participates in β ladder)trans-130.1101.6179.9-53.1-71.3000108.6P31 K38 F53P31-F33 HydrophobicContact CB-CE2 3.74Å; P31-F33 HydrophobicContact CB-CZ 3.73Å; F33-K38 HydrophobicContact CD1-CB 3.85Å; F33-K38 HydrophobicContact CD1-CD 4.23Å; F33-K38 HydrophobicContact CD1-CG 3.8Å; F33-K38 HydrophobicContact CE1-CB 4.02Å; F33-K38 HydrophobicContact CE1-CD 4.25Å; F33-K38 HydrophobicContact CE1-CG 4.19Å; F33-F53 HydrophobicContact CE1-CD1 4.23Å; F33-F53 AromaticContact CE1-CE1 3.99Å; F33-F53 HydrophobicContact CE1-CE1 3.99Å; F33-F53 HydrophobicContact CE1-CZ 4.28Å; F33-F53 AromaticContact CZ-CE1 3.99Å; F33-F53 HydrophobicContact CZ-CE1 3.99Å; F33-F53 HydrophobicContact CZ-CZ 4.27Å
34H75.2Confident82.8Confident138 Ų13863.6 Ų63.664%0.63935%0.346SS*.EExtended strand (participates in β ladder)trans-144141.9-179.7-160-82.7000110.2A36 L37H34-A36 VanDerWaalsContact C-N 3.34Å; H34-A36 PolarHBondContact O-N 3.38Å; H34-L37 PolarHBondContact N-O 2.99Å; H34-L37 VanDerWaalsContact N-O 3.1Å; H34-L37 WeakPolarHBondContact O-CB 3.33Å; H34-L37 PolarHBondContact O-N 3.35Å; H34-L37 VanDerWaalsContact O-O 3.12Å
35D77.9Confident82.5Confident132 Ų13270.9 Ų70.971%0.70638%0.378SS*.THydrogen-bonded Turntrans49.845.9179.7-60.8-38.3000114.8L37D35-L37 PolarHBondContact O-N 3.05Å
36A73.9Confident82.4Confident80 Ų8075 Ų7566%0.66139%0.389SS*.THydrogen-bonded Turntrans60.33.2-176.100000115.6H34H34-A36 VanDerWaalsContact C-N 3.34Å; H34-A36 PolarHBondContact O-N 3.38Å
37L79.4Confident82.2Confident59 Ų5973.6 Ų73.631%0.30938%0.383SS..EExtended strand (participates in β ladder)trans-96.5135.5175.3-70166000110.4H34 D35 R46 T48H34-L37 PolarHBondContact N-O 2.99Å; H34-L37 VanDerWaalsContact N-O 3.1Å; H34-L37 WeakPolarHBondContact O-CB 3.33Å; H34-L37 PolarHBondContact O-N 3.35Å; H34-L37 VanDerWaalsContact O-O 3.12Å; D35-L37 PolarHBondContact O-N 3.05Å; L37-R46 HydrophobicContact CB-CB 4.16Å; L37-R46 HydrophobicContact CD2-CB 4.05Å; L37-T48 HydrophobicContact CD2-CG2 3.82Å
38K84Confident82.1Confident47 Ų4778.1 Ų78.120%0.20441%0.411CS..EExtended strand (participates in β ladder)trans-115.7133-178.4-47.8-174.3174.859.90108.1F33 R46 T47 T48 F50 F53F33-K38 HydrophobicContact CD1-CB 3.85Å; F33-K38 HydrophobicContact CD1-CD 4.23Å; F33-K38 HydrophobicContact CD1-CG 3.8Å; F33-K38 HydrophobicContact CE1-CB 4.02Å; F33-K38 HydrophobicContact CE1-CD 4.25Å; F33-K38 HydrophobicContact CE1-CG 4.19Å; K38-R46 CarbonylContact O-C 3.57Å; K38-R46 VanDerWaalsContact O-CA 3.3Å; K38-R46 WeakPolarHBondContact O-CA 3.19Å; K38-T47 WeakPolarHBondContact CB-O 3.46Å; K38-T47 PolarHBondContact N-O 3.47Å; K38-T47 PolarHBondContact O-N 2.93Å; K38-T48 PolarHBondContact NZ-O 3.09Å; K38-F50 HydrophobicContact CD-CB 4.21Å; K38-F50 HydrophobicContact CD-CD2 3.79Å; K38-F50 HydrophobicContact CD-CG 4.48Å; K38-F53 HydrophobicContact CB-CB 3.92Å; K38-F53 HydrophobicContact CB-CD2 3.95Å; K38-F53 HydrophobicContact CB-CG 3.89Å; K38-F53 HydrophobicContact CD-CB 4.43Å
39G87.3Confident82Confident1 Ų178 Ų781%0.0141%0.406CS..EExtended strand (participates in β ladder)trans-164.8177.5-177.700000112.4I32 F53I32-G39 VanDerWaalsContact CG1-O 3.27Å; I32-G39 WeakPolarHBondContact CG1-O 3.47Å; I32-G39 PolarHBondContact N-O 3.15Å; I32-G39 PolarHBondContact O-N 3.34Å; G39-F53 VanDerWaalsContact C-CE2 3.5Å; G39-F53 WeakPolarHBondContact O-CE2 3.24Å
40W86.4Confident82.1Confident21 Ų2182.5 Ų82.58%0.0842%0.423CS..EExtended strand (participates in β ladder)trans-102.8136.5172.8-64.491.4000108.5K8 H27 G29 P31 C42 C43 F53K8-W40 HydrophobicContact CB-CH2 3.81Å; K8-W40 HydrophobicContact CB-CZ3 3.81Å; K8-W40 HydrophobicContact CD-CH2 4.5Å; K8-W40 HydrophobicContact CD-CZ3 3.88Å; K8-W40 HydrophobicContact CG-CZ3 4.4Å; H27-W40 HydrophobicContact CB-CB 4.43Å; H27-W40 HydrophobicContact CB-CD2 3.7Å; H27-W40 HydrophobicContact CB-CE3 3.6Å; H27-W40 HydrophobicContact CB-CG 4.08Å; H27-W40 HydrophobicContact CB-CZ3 4.1Å; H27-W40 AromaticContact CD2-CD1 3.59Å; H27-W40 AromaticContact CD2-CD2 3.59Å; H27-W40 AromaticContact CD2-CE2 3.43Å; H27-W40 VanDerWaalsContact CD2-CE2 3.43Å; H27-W40 AromaticContact CD2-CG 3.71Å; H27-W40 AromaticContact CD2-NE1 3.42Å; H27-W40 PolarHBondContact CD2-NE1 2.66Å; H27-W40 AromaticContact CE1-CD1 3.81Å; H27-W40 AromaticContact CG-CD1 3.91Å; H27-W40 AromaticContact CG-CD2 3.6Å; H27-W40 AromaticContact CG-CE2 3.95Å; H27-W40 AromaticContact CG-CG 3.61Å; H27-W40 AromaticContact ND1-CG 3.87Å; H27-W40 AromaticContact NE2-CD1 3.5Å; H27-W40 AromaticContact NE2-CG 3.97Å; H27-W40 AromaticContact NE2-NE1 3.55Å; G29-W40 VanDerWaalsContact O-CE3 3.31Å; P31-W40 HydrophobicContact CG-CE3 4.1Å; P31-W40 HydrophobicContact CG-CH2 3.84Å; P31-W40 HydrophobicContact CG-CZ3 3.56Å; W40-C42 PolarHBondContact O-N 3.02Å; W40-C42 VanDerWaalsContact O-N 3.09Å; W40-C43 HydrophobicContact CB-CB 4.19Å; W40-C43 CarbonylContact O-C 3.46Å; W40-C43 PolarHBondContact O-N 2.91Å; W40-F53 AromaticContact CD1-CE2 3.7Å; W40-F53 HydrophobicContact CD2-CE2 4.2Å; W40-F53 HydrophobicContact CD2-CZ 4.28Å; W40-F53 AromaticContact CE2-CE2 3.78Å; W40-F53 AromaticContact CE2-CZ 3.71Å; W40-F53 HydrophobicContact CG-CE2 4.17Å; W40-F53 HydrophobicContact CZ2-CE2 4.37Å; W40-F53 AromaticContact CZ2-CZ 3.85Å; W40-F53 HydrophobicContact CZ2-CZ 3.85Å; W40-F53 AromaticContact NE1-CE2 3.42Å; W40-F53 AromaticContact NE1-CZ 3.8Å
41S83.7Confident82.2Confident65 Ų6582.4 Ų82.446%0.45543%0.426SS..THydrogen-bonded Turntrans-57.1-25.417743.80000113.6G29 V30 C43G29-S41 VanDerWaalsContact CA-OG 3.22Å; G29-S41 WeakPolarHBondContact CA-OG 3.39Å; V30-S41 PolarHBondContact N-OG 3.26Å; V30-S41 PolarHBondContact O-N 2.9Å; V30-S41 PolarHBondContact O-OG 3.4Å; S41-C43 VanDerWaalsContact C-N 3.34Å
42C83.2Confident82.2Confident46 Ų4685.2 Ų85.231%0.31144%0.435SS..THydrogen-bonded Turntrans-82.5-4.417557.90000114.5H27 P28 G29 W40 C59H27-C42 VanDerWaalsContact CB-SG 3.57Å; H27-C42 PolarHBondContact ND1-SG 3.38Å; H27-C42 VanDerWaalsContact ND1-SG 3.44Å; P28-C42 HydrophobicContact CG-CB 3.91Å; G29-C42 PolarHBondContact N-SG 2.84Å; G29-C42 VanDerWaalsContact N-SG 3.41Å; W40-C42 PolarHBondContact O-N 3.02Å; W40-C42 VanDerWaalsContact O-N 3.09Å; C42-C59 PolarHBondContact SG-SG 2.78Å
43C81.9Confident82.5Confident27 Ų2782.8 Ų82.818%0.18242%0.422CS..  trans-128.6144.3-176.5-70.80000112.1H27 W40 S41 K45 C59H27-C43 PolarHBondContact CE1-SG 2.63Å; H27-C43 PolarHBondContact ND1-SG 3.38Å; W40-C43 HydrophobicContact CB-CB 4.19Å; W40-C43 CarbonylContact O-C 3.46Å; W40-C43 PolarHBondContact O-N 2.91Å; S41-C43 VanDerWaalsContact C-N 3.34Å; C43-K45 VanDerWaalsContact C-N 3.34Å; C43-C59 WeakPolarHBondContact SG-CB 3.45Å
44K79.8Confident82.4Confident210 Ų21082.4 Ų82.491%0.91343%0.425SS*.SBendtrans-81.9-12.2171.9-65.8-178.1-178.5179.50113.6R46K44-R46 PolarHBondContact O-N 3.49Å
45K81.3Confident82.8Confident152 Ų15280.2 Ų80.266%0.66143%0.425SS*.  trans-69.5124.4177.9-68.2-171.9179.1-174.60109.8C43C43-K45 VanDerWaalsContact C-N 3.34Å
46R85Confident83Confident162 Ų16274.7 Ų74.761%0.61140%0.395SS*.EExtended strand (participates in β ladder)trans-128.3134.2178.2-62.7-178.2-173.4176.50.4108.6L37 K38 K44L37-R46 HydrophobicContact CB-CB 4.16Å; L37-R46 HydrophobicContact CD2-CB 4.05Å; K38-R46 CarbonylContact O-C 3.57Å; K38-R46 VanDerWaalsContact O-CA 3.3Å; K38-R46 WeakPolarHBondContact O-CA 3.19Å; K44-R46 PolarHBondContact O-N 3.49Å
47T84.4Confident83.5Confident10 Ų1079.3 Ų79.36%0.06140%0.4CS..EExtended strand (participates in β ladder)trans-123147.7-179.260.80000109.2K38 D49 E52 F53 I56K38-T47 WeakPolarHBondContact CB-O 3.46Å; K38-T47 PolarHBondContact N-O 3.47Å; K38-T47 PolarHBondContact O-N 2.93Å; T47-D49 PolarHBondContact OG1-O 3.1Å; T47-E52 HydrophobicContact CG2-CB 4.01Å; T47-E52 HydrophobicContact CG2-CG 3.68Å; T47-F53 WeakPolarHBondContact OG1-CA 3.49Å; T47-F53 WeakPolarHBondContact OG1-CB 3.36Å; T47-F53 PolarHBondContact OG1-N 3.35Å; T47-I56 HydrophobicContact CG2-CD1 4.21Å
48T83.4Confident83.8Confident96 Ų9677 Ų7759%0.58939%0.391SS*.SBendtrans-84.2-27.2172.249.30000110.9L37 K38L37-T48 HydrophobicContact CD2-CG2 3.82Å; K38-T48 PolarHBondContact NZ-O 3.09Å
49D84.6Confident83.9Confident75 Ų7577.7 Ų77.740%0.40140%0.401SS..SBendtrans-85.5143177.4-176.456.8000113.2T47 S51 E52 F53T47-D49 PolarHBondContact OG1-O 3.1Å; D49-S51 WeakPolarHBondContact OD2-CA 3.16Å; D49-S51 WeakPolarHBondContact OD2-CB 3.21Å; D49-S51 PolarHBondContact OD2-N 3.07Å; D49-E52 HydrophobicContact CB-CB 4.06Å; D49-E52 PolarHBondContact OD2-N 3.5Å; D49-F53 PolarHBondContact O-N 2.79Å
50F83Confident83.8Confident105 Ų10580.3 Ų80.346%0.46142%0.417SS..Hα-helixtrans-79.1-33.7-178.1-168.4-97.7000112.6K38 F53 L54K38-F50 HydrophobicContact CD-CB 4.21Å; K38-F50 HydrophobicContact CD-CD2 3.79Å; K38-F50 HydrophobicContact CD-CG 4.48Å; F50-F53 WeakPolarHBondContact O-CB 3.46Å; F50-F53 PolarHBondContact O-N 3.06Å; F50-L54 HydrophobicContact CD1-CD1 3.99Å; F50-L54 HydrophobicContact CD1-CG 4.4Å; F50-L54 HydrophobicContact CE1-CD1 3.7Å; F50-L54 HydrophobicContact CE1-CG 4.16Å; F50-L54 PolarHBondContact O-N 3.18Å; F50-L54 VanDerWaalsContact O-N 3.15Å
51S84.7Confident84Confident77 Ų7787.2 Ų87.254%0.53844%0.443SS..Hα-helixtrans-71.3-39.1178.2-47.20000110.6D49 F53 L54 S55D49-S51 WeakPolarHBondContact OD2-CA 3.16Å; D49-S51 WeakPolarHBondContact OD2-CB 3.21Å; D49-S51 PolarHBondContact OD2-N 3.07Å; S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 2.59Å; S51-L54 PolarHBondContact O-N 3.43Å; S51-S55 WeakPolarHBondContact O-CB 3.21Å; S51-S55 PolarHBondContact O-N 3.01Å; S51-S55 VanDerWaalsContact O-N 3.14Å; S51-S55 PolarHBondContact O-OG 2.99Å
52E83.3Confident84.1Confident110 Ų11084.7 Ų84.751%0.51443%0.427SS..Hα-helixtrans-63.5-38.6173-157.5-172.7170.700111.7T47 D49 S55 I56T47-E52 HydrophobicContact CG2-CB 4.01Å; T47-E52 HydrophobicContact CG2-CG 3.68Å; D49-E52 HydrophobicContact CB-CB 4.06Å; D49-E52 PolarHBondContact OD2-N 3.5Å; E52-S55 CarbonylContact O-C 3.58Å; E52-S55 PolarHBondContact O-N 3.27Å; E52-S55 VanDerWaalsContact O-N 3.15Å; E52-I56 WeakPolarHBondContact O-CG1 3.48Å; E52-I56 PolarHBondContact O-N 3.03Å
53F85Confident84.3Confident6 Ų689.1 Ų89.13%0.02644%0.437CS..Hα-helixtrans-60.9-46.4175.8167.2-105.9000112.7P31 F33 K38 G39 W40 T47 D49 F50 S51 S55 I56P31-F53 HydrophobicContact CB-CE1 4.47Å; P31-F53 HydrophobicContact CB-CZ 3.77Å; P31-F53 HydrophobicContact CG-CZ 4.22Å; F33-F53 HydrophobicContact CE1-CD1 4.23Å; F33-F53 AromaticContact CE1-CE1 3.99Å; F33-F53 HydrophobicContact CE1-CE1 3.99Å; F33-F53 HydrophobicContact CE1-CZ 4.28Å; F33-F53 AromaticContact CZ-CE1 3.99Å; F33-F53 HydrophobicContact CZ-CE1 3.99Å; F33-F53 HydrophobicContact CZ-CZ 4.27Å; K38-F53 HydrophobicContact CB-CB 3.92Å; K38-F53 HydrophobicContact CB-CD2 3.95Å; K38-F53 HydrophobicContact CB-CG 3.89Å; K38-F53 HydrophobicContact CD-CB 4.43Å; G39-F53 VanDerWaalsContact C-CE2 3.5Å; G39-F53 WeakPolarHBondContact O-CE2 3.24Å; W40-F53 AromaticContact CD1-CE2 3.7Å; W40-F53 HydrophobicContact CD2-CE2 4.2Å; W40-F53 HydrophobicContact CD2-CZ 4.28Å; W40-F53 AromaticContact CE2-CE2 3.78Å; W40-F53 AromaticContact CE2-CZ 3.71Å; W40-F53 HydrophobicContact CG-CE2 4.17Å; W40-F53 HydrophobicContact CZ2-CE2 4.37Å; W40-F53 AromaticContact CZ2-CZ 3.85Å; W40-F53 HydrophobicContact CZ2-CZ 3.85Å; W40-F53 AromaticContact NE1-CE2 3.42Å; W40-F53 AromaticContact NE1-CZ 3.8Å; T47-F53 WeakPolarHBondContact OG1-CA 3.49Å; T47-F53 WeakPolarHBondContact OG1-CB 3.36Å; T47-F53 PolarHBondContact OG1-N 3.35Å; D49-F53 PolarHBondContact O-N 2.79Å; F50-F53 WeakPolarHBondContact O-CB 3.46Å; F50-F53 PolarHBondContact O-N 3.06Å; S51-F53 VanDerWaalsContact C-N 3.33Å; S51-F53 PolarHBondContact O-N 2.59Å; F53-S55 PolarHBondContact O-N 2.75Å; F53-I56 HydrophobicContact CD2-CD1 3.99Å; F53-I56 WeakPolarHBondContact O-CB 3.34Å; F53-I56 WeakPolarHBondContact O-CG1 3.32Å; F53-I56 PolarHBondContact O-N 3.1Å
54L82.8Confident84.5Confident112 Ų11288.7 Ų88.759%0.58643%0.433SS*.Hα-helixtrans-64.6-27.2176-69.5174.6000112.3F50 S51 I56F50-L54 HydrophobicContact CD1-CD1 3.99Å; F50-L54 HydrophobicContact CD1-CG 4.4Å; F50-L54 HydrophobicContact CE1-CD1 3.7Å; F50-L54 HydrophobicContact CE1-CG 4.16Å; F50-L54 PolarHBondContact O-N 3.18Å; F50-L54 VanDerWaalsContact O-N 3.15Å; S51-L54 PolarHBondContact O-N 3.43Å; L54-I56 VanDerWaalsContact C-N 3.33Å
55S83.7Confident84.7Confident91 Ų9180.3 Ų80.364%0.63640%0.4SS*.THydrogen-bonded Turntrans-84.3-2.6179.6-56.10000113.6S51 E52 F53 K57S51-S55 WeakPolarHBondContact O-CB 3.21Å; S51-S55 PolarHBondContact O-N 3.01Å; S51-S55 VanDerWaalsContact O-N 3.14Å; S51-S55 PolarHBondContact O-OG 2.99Å; E52-S55 CarbonylContact O-C 3.58Å; E52-S55 PolarHBondContact O-N 3.27Å; E52-S55 VanDerWaalsContact O-N 3.15Å; F53-S55 PolarHBondContact O-N 2.75Å; S55-K57 PolarHBondContact O-N 2.86Å
56I83.3Confident84.8Confident17 Ų1777.4 Ų77.49%0.08739%0.392CS..  trans-67.4106.7176.6-58.6175.3000109.1H27 T47 E52 F53 L54H27-I56 PolarHBondContact NE2-O 3.11Å; T47-I56 HydrophobicContact CG2-CD1 4.21Å; E52-I56 WeakPolarHBondContact O-CG1 3.48Å; E52-I56 PolarHBondContact O-N 3.03Å; F53-I56 HydrophobicContact CD2-CD1 3.99Å; F53-I56 WeakPolarHBondContact O-CB 3.34Å; F53-I56 WeakPolarHBondContact O-CG1 3.32Å; F53-I56 PolarHBondContact O-N 3.1Å; L54-I56 VanDerWaalsContact C-N 3.33Å
57K83.8Confident84.6Confident176 Ų17674.4 Ų74.477%0.76539%0.391SS*.  trans-55.4143175-61.5-169.3178.3-172.80111.8H27 S55H27-K57 PolarHBondContact CE1-O 3.05Å; H27-K57 PolarHBondContact NE2-O 3.42Å; S55-K57 PolarHBondContact O-N 2.86Å
58G85.8Confident84.2Confident11 Ų1180.9 Ų80.911%0.11342%0.419CS..  trans-51.2141.5176.600000113.6F26 H27F26-G58 VanDerWaalsContact C-CA 3.45Å; F26-G58 CarbonylContact O-C 3.55Å; F26-G58 WeakPolarHBondContact O-CA 3.36Å; H27-G58 WeakPolarHBondContact NE2-CA 3.28Å
59C85.8Confident83.5Confident62 Ų6279.4 Ų79.442%0.41941%0.411SS..SBendtrans-93.6-10.2179.363.40000114.8F26 H27 C42 C43F26-C59 PolarHBondContact O-N 3.17Å; F26-C59 VanDerWaalsContact O-N 3.11Å; H27-C59 PolarHBondContact ND1-N 3.21Å; C42-C59 PolarHBondContact SG-SG 2.78Å; C43-C59 WeakPolarHBondContact SG-CB 3.45Å
60T85.9Confident82.2Confident55 Ų5584.9 Ų84.934%0.33743%0.434SS..EExtended strand (participates in β ladder)trans-122.3138.2-178.2-52.80000110.2L25 F26 P28L25-T60 WeakPolarHBondContact CA-O 3.45Å; F26-T60 HydrophobicContact CZ-CG2 4.33Å; F26-T60 PolarHBondContact N-O 3.04Å; F26-T60 PolarHBondContact O-N 3.45Å; P28-T60 WeakPolarHBondContact CD-OG1 3.45Å; P28-T60 WeakPolarHBondContact CG-OG1 3.43Å
61R88.7Confident81Confident166 Ų16688 Ų8863%0.62645%0.45SS*.EExtended strand (participates in β ladder)trans-91.1140.3171.8-72.6179.7-177.4177.40110D22 C24 L25D22-R61 WeakPolarHBondContact OD1-CB 3.36Å; D22-R61 WeakPolarHBondContact OD1-CD 3.27Å; C24-R61 CarbonylContact O-C 3.55Å; C24-R61 VanDerWaalsContact O-CA 3.27Å; C24-R61 WeakPolarHBondContact O-CA 3.4Å; L25-R61 HydrophobicContact CD2-CG 3.37Å; L25-R61 HydrophobicContact CG-CG 4.43Å
62G87Confident79.2Confident12 Ų1289.8 Ų89.812%0.12446%0.46CS..EExtended strand (participates in β ladder)trans-169.6-167.7176.900000112.1D21 S23 C24D21-G62 CarbonylContact O-C 3.58Å; D21-G62 WeakPolarHBondContact O-CA 3.29Å; D21-G62 PolarHBondContact O-N 3.23Å; S23-G62 PolarHBondContact N-O 3.08Å; C24-G62 WeakPolarHBondContact CA-O 3.03Å; C24-G62 WeakPolarHBondContact CB-O 3.36Å; C24-G62 PolarHBondContact N-O 3.46Å; C24-G62 PolarHBondContact O-N 3.29Å
63R87.6Confident77.4Confident139 Ų13992.6 Ų92.653%0.52548%0.478SS..  trans-79.9147.1172.2-59.1-176.982.3-176.9-0.5110.7N7 N19 D21N7-R63 PolarHBondContact ND2-O 3.12Å; N19-R63 PolarHBondContact O-NE 2.93Å; N19-R63 PolarHBondContact O-NH2 3.29Å; N19-R63 WeakPolarHBondContact OD1-CA 3.47Å; D21-R63 WeakPolarHBondContact OD1-CD 3.4Å; D21-R63 WeakPolarHBondContact OD1-CG 3.46Å; D21-R63 IonicContact OD1-NE 2.86Å
64H86.1Confident75.4Confident19 Ų1999 Ų999%0.08850%0.502CS..  trans-66.4146.1168.9-59.8-88.7000110.5C5 C10 E12 F14 N19 S23 C24C5-H64 HydrophobicContact CB-CB 4.05Å; C5-H64 PolarHBondContact SG-ND1 3.1Å; C10-H64 PolarHBondContact SG-ND1 3.13Å; C10-H64 VanDerWaalsContact SG-ND1 3.45Å; E12-H64 IonicContact OE2-CE1 3.3Å; F14-H64 HydrophobicContact CB-CB 4.11Å; F14-H64 HydrophobicContact CD1-CB 3.25Å; F14-H64 AromaticContact CD1-CG 3.7Å; F14-H64 HydrophobicContact CD2-CB 3.58Å; F14-H64 HydrophobicContact CE1-CB 3.37Å; F14-H64 HydrophobicContact CE2-CB 3.68Å; F14-H64 HydrophobicContact CG-CB 3.35Å; F14-H64 AromaticContact CG-CD2 3.81Å; F14-H64 AromaticContact CG-CG 3.56Å; F14-H64 HydrophobicContact CZ-CB 3.57Å; N19-H64 PolarHBondContact ND2-N 3.35Å; N19-H64 PolarHBondContact ND2-O 2.82Å; N19-H64 PolarHBondContact OD1-CD2 3.03Å; N19-H64 PolarHBondContact OD1-N 3.47Å; S23-H64 PolarHBondContact O-NE2 2.88Å; C24-H64 HydrophobicContact CB-CB 4.39Å
65S83.9Confident73.6Confident33 Ų3399 Ų9923%0.23151%0.508CS..  trans-118.1130.5177.2-177.60000110.3C5 Y6 N7 V67C5-S65 CarbonylContact C-O 3.53Å; C5-S65 WeakPolarHBondContact CA-O 3.15Å; Y6-S65 PolarHBondContact N-O 3.25Å; N7-S65 VanDerWaalsContact OD1-CB 3.22Å; N7-S65 WeakPolarHBondContact OD1-CB 3.45Å; S65-V67 PolarHBondContact OG-N 3.13Å
66D84.1Confident71.4Confident91 Ų91104.1 Ų104.149%0.48752%0.522SS..  trans-88.6-5.8171.963.9-41.5000112.5L3 Y6 F14 K68L3-D66 HydrophobicContact CB-CB 4.39Å; L3-D66 HydrophobicContact CD1-CB 3.83Å; Y6-D66 VanDerWaalsContact CD2-O 3.23Å; Y6-D66 WeakPolarHBondContact CD2-O 3.2Å; Y6-D66 WeakPolarHBondContact CE2-O 3.44Å; F14-D66 HydrophobicContact CZ-CB 4.24Å; D66-K68 PolarHBondContact O-N 3.22Å
67V79.4Confident69.3Low99 Ų99109.5 Ų109.560%0.656%0.555SS**SBendtrans-81110.4178.5-176.10000109.5S65 P69S65-V67 PolarHBondContact OG-N 3.13Å; V67-P69 WeakPolarHBondContact O-CD 3.03Å
68K77.1Confident67.1Low146 Ų146106.6 Ų106.664%0.63556%0.557SS**PPolyproline II helixtrans-60.4116.2170.3-165.8-179.8-159.5-175.50109.1Y6 D66 Q70Y6-K68 HydrophobicContact CD1-CB 4.1Å; Y6-K68 HydrophobicContact CD1-CG 3.92Å; Y6-K68 HydrophobicContact CD2-CB 4.4Å; Y6-K68 HydrophobicContact CE1-CB 4.17Å; Y6-K68 HydrophobicContact CE1-CD 4.32Å; Y6-K68 HydrophobicContact CE1-CG 3.94Å; Y6-K68 HydrophobicContact CE2-CB 4.44Å; Y6-K68 HydrophobicContact CG-CB 4.22Å; Y6-K68 HydrophobicContact CG-CG 4.5Å; D66-K68 PolarHBondContact O-N 3.22Å; K68-Q70 PolarHBondContact O-N 3.42Å
69P68.3Low64.7Low66 Ų66111.5 Ų111.543%0.42959%0.589SS.*PPolyproline II helixtrans-56.8129.8175.6-23.733.1000109.6V67 E71V67-P69 WeakPolarHBondContact O-CD 3.03Å; P69-E71 PolarHBondContact O-N 2.72Å
70Q56.6Low62.2Low190 Ų190116.6 Ų116.689%0.88861%0.613SS**PPolyproline II helixtrans-60.8127.2172.2-70.3-173-9.800108.3K68 P72K68-Q70 PolarHBondContact O-N 3.42Å; Q70-P72 WeakPolarHBondContact O-CD 3.5Å
71E57.2Low60.1Low170 Ų170123.9 Ų123.979%0.79464%0.64SS**PPolyproline II helixtrans-59.1123.2173.9-74.2179.4-179.700108P69 L73P69-E71 PolarHBondContact O-N 2.72Å; E71-L73 PolarHBondContact O-N 3.16Å
72P48Very low57.5Low115 Ų115121 Ų12175%0.74765%0.645SS**  trans-60.9115.9177.921.4-29.3000108.8Q70 R74Q70-P72 WeakPolarHBondContact O-CD 3.5Å; P72-R74 PolarHBondContact O-N 3.39Å
73L44.3Very low55Low169 Ų169129.4 Ų129.489%0.88568%0.681SS**PPolyproline II helixtrans-58.6116.8172-64.8173000107.7E71E71-L73 PolarHBondContact O-N 3.16Å
74R43Very low52.8Low141 Ų141131.6 Ų131.653%0.53270%0.699SS.*PPolyproline II helixtrans-79126.7-176.6-75.8-175.6-93.3170.5-0.7109.3P72 Q95P72-R74 PolarHBondContact O-N 3.39Å; R74-Q95 HydrophobicContact CB-CG 4.34Å
75P46.9Very low50.2Low110 Ų110140.6 Ų140.671%0.71474%0.738SS**PPolyproline II helixtrans-67.8151.8175.5-18.130.7000113.3
76E36.2Very low48.2Very low200 Ų200145.2 Ų145.294%0.93577%0.767SS**PPolyproline II helixtrans-73.4149.2-177.6-60.8-176.8152.200113.5
77V40.3Very low45.8Very low129 Ų129145.2 Ų145.278%0.78278%0.78SS**  trans-127.1122.5176.1-171.70000111.1
78S36.5Very low43.7Very low116 Ų116145.5 Ų145.581%0.81179%0.787SS**  trans-91.2132165.247.20000110.4
79S34.8Very low42Very low113 Ų113146.2 Ų146.279%0.7980%0.797SS**  trans-99.1113.7-178.6-56.50000111.5
80D34Very low40.7Very low170 Ų170154 Ų15491%0.90982%0.818SS**  trans-141.8134.5154.4-119.1-45.9000110.8
81K43Very low40Very low208 Ų208152.1 Ų152.190%0.90481%0.809SS**  trans-92.2111.1-173.6-110.8-176.5175.1-179.20109
82S32.6Very low39.4Very low104 Ų104152 Ų15273%0.72781%0.812SS**  trans-160.7124.9148.9-156.60000113.6
83E34.7Very low39.4Very low189 Ų189151.3 Ų151.388%0.88380%0.801SS**  trans56.1141.6149.6-63.6-175.8169.800123.2
84M41.5Very low39.2Very low186 Ų186153 Ų15392%0.91680%0.798SS**  trans-74.9139.5-166-67.6170.1168.500114.8
85K31.4Very low39.5Very low207 Ų207151 Ų15190%0.979%0.794SS**  trans-163.7147.2131.4-103.3171.8-168.6-1800110.6
86P42.9Very low39.5Very low130 Ų130148 Ų14884%0.84478%0.784SS**  trans-92.4121.5-167.234.5-28.8000111.7
87A32.5Very low40.3Very low91 Ų91144.4 Ų144.475%0.75278%0.778SS**  trans-146.4117.5164.700000110.2
88S35.7Very low41.2Very low106 Ų106144.4 Ų144.474%0.74177%0.767SS**  trans47.8103.5157.763.10000119.2R90S88-R90 PolarHBondContact O-N 2.76Å
89D42.3Very low42.3Very low160 Ų160142.1 Ų142.186%0.85675%0.751SS**  trans29.377.3130.3-15929.7000116.8
90R39.7Very low43.5Very low230 Ų230139.1 Ų139.187%0.86873%0.733SS**  trans-130.6109.3156.9-75-172.8167.8-177.2-3.6107.9S88 I92S88-R90 PolarHBondContact O-N 2.76Å; R90-I92 PolarHBondContact O-N 3.4Å
91E43.3Very low44.7Very low150 Ų150137.7 Ų137.770%0.70172%0.721SS**  trans-50.1120.8177-71.1179.4149.200110.9I93E91-I93 PolarHBondContact O-N 3.4Å; E91-I93 VanDerWaalsContact O-N 3.1Å
92I43.2Very low45.5Very low168 Ų168129.5 Ų129.586%0.86269%0.692SS**  trans-78.893.1175.4-59.1166.2000107.1R90 Y94R90-I92 PolarHBondContact O-N 3.4Å; I92-Y94 PolarHBondContact O-N 2.95Å
93I49.6Very low46.9Very low100 Ų100125.5 Ų125.551%0.51366%0.663SS.*  trans-80.2104176.2-58174.2000108.9E91 Q95E91-I93 PolarHBondContact O-N 3.4Å; E91-I93 VanDerWaalsContact O-N 3.1Å; I93-Q95 PolarHBondContact O-N 2.9Å
94Y39.7Very low48.1Very low206 Ų206121.5 Ų121.581%0.80864%0.644SS**  trans-72.2115.6174.3-171.4-101.4000110.7I92I92-Y94 PolarHBondContact O-N 2.95Å
95Q49Very low49Very low97 Ų97121.7 Ų121.745%0.45364%0.64SS.*PPolyproline II helixtrans-100.3132.7168.4-70.8-157.5-4500110.8R74 I93R74-Q95 HydrophobicContact CB-CG 4.34Å; I93-Q95 PolarHBondContact O-N 2.9Å
96G47.3Very low50.5Low49 Ų49117.6 Ų117.651%0.50562%0.624SS.*PPolyproline II helixtrans-72.3167.6168.600000112.9
97P52.9Low51.8Low124 Ų124114.7 Ų114.781%0.80560%0.596SS**PPolyproline II helixtrans-56.8146.7-179.721.1-30.7000112.6S99P97-S99 PolarHBondContact O-N 3.07Å
98K58.3Low53.7Low128 Ų128112.2 Ų112.256%0.55757%0.572SS**PPolyproline II helixtrans-49.7135.9176.8-70.6-175.4175.8-174.60110.3L103 E106K98-L103 HydrophobicContact CB-CD2 4.46Å; K98-L103 HydrophobicContact CB-CG 4.46Å; K98-L103 HydrophobicContact CD-CD2 4.34Å; K98-E106 IonicContact NZ-OE2 3.6Å
99S60.1Low55.2Low68 Ų68110.7 Ų110.748%0.47656%0.561SS.*PPolyproline II helixtrans-65.7149.8178.663.90000111.4P97 E101 A102 L103P97-S99 PolarHBondContact O-N 3.07Å; S99-E101 PolarHBondContact O-N 3.23Å; S99-E101 VanDerWaalsContact O-N 3.16Å; S99-A102 PolarHBondContact O-N 2.92Å; S99-L103 PolarHBondContact O-N 3.28Å
100A59.4Low56.4Low50 Ų50105.1 Ų105.141%0.41354%0.535SS..Hα-helixtrans-56.9-30.5179.500000113L103 Q104A100-L103 PolarHBondContact O-N 3.15Å; A100-Q104 WeakPolarHBondContact O-CG 3.33Å; A100-Q104 PolarHBondContact O-N 2.93Å; A100-Q104 VanDerWaalsContact O-N 3.08Å
101E59.4Low57.7Low140 Ų140101.3 Ų101.365%0.65453%0.532SS*.Hα-helixtrans-70.4-36.1180-60.7175.8129.100113.1S99 L103 Q104 K105S99-E101 PolarHBondContact O-N 3.23Å; S99-E101 VanDerWaalsContact O-N 3.16Å; E101-L103 VanDerWaalsContact C-N 3.31Å; E101-Q104 PolarHBondContact O-N 3.27Å; E101-K105 PolarHBondContact O-N 2.91Å
102A60.9Low59.2Low36 Ų3698.1 Ų98.130%0.29852%0.517SS..Hα-helixtrans-67.5-37.4175.400000110.9S99 K105 E106S99-A102 PolarHBondContact O-N 2.92Å; A102-K105 PolarHBondContact O-N 3.26Å; A102-E106 PolarHBondContact O-N 2.97Å
103L60.5Low60.6Low21 Ų2195.6 Ų95.611%0.1151%0.511CS..Hα-helixtrans-70-32178.2-62.7167.9000112.6K98 S99 A100 E101 N304 V306K98-L103 HydrophobicContact CB-CD2 4.46Å; K98-L103 HydrophobicContact CB-CG 4.46Å; K98-L103 HydrophobicContact CD-CD2 4.34Å; S99-L103 PolarHBondContact O-N 3.28Å; A100-L103 PolarHBondContact O-N 3.15Å; E101-L103 VanDerWaalsContact C-N 3.31Å; L103-N304 HydrophobicContact CD2-CB 4.06Å; L103-N304 WeakPolarHBondContact CD2-ND2 3.41Å; L103-V306 HydrophobicContact CD1-CB 4.46Å; L103-V306 HydrophobicContact CD1-CG1 4.29Å; L103-V306 HydrophobicContact CD1-CG2 3.65Å
104Q60.8Low62.2Low105 Ų10594.2 Ų94.249%0.49150%0.503SS..Hα-helixtrans-69.7-35.1172.8-76.6177.6-10.800112.4A100 E101 R107A100-Q104 WeakPolarHBondContact O-CG 3.33Å; A100-Q104 PolarHBondContact O-N 2.93Å; A100-Q104 VanDerWaalsContact O-N 3.08Å; E101-Q104 PolarHBondContact O-N 3.27Å; Q104-R107 WeakPolarHBondContact O-CB 3.41Å; Q104-R107 PolarHBondContact O-N 3.39Å
105K60.3Low64.4Low190 Ų19087.7 Ų87.783%0.82649%0.485SS*.Hα-helixtrans-71-32.3177.1-76.1-177.8178.5-179.80113.6E101 A102 R107E101-K105 PolarHBondContact O-N 2.91Å; A102-K105 PolarHBondContact O-N 3.26Å; K105-R107 PolarHBondContact O-N 3.2Å
106E62.9Low66.2Low121 Ų12189.8 Ų89.857%0.56549%0.493SS*.THydrogen-bonded Turntrans-83.25.1177-69.1-179.1178.500113K98 A102 P108K98-E106 IonicContact NZ-OE2 3.6Å; A102-E106 PolarHBondContact O-N 2.97Å; E106-P108 VanDerWaalsContact O-CD 3.26Å; E106-P108 WeakPolarHBondContact O-CD 3.47Å
107R70.1Confident68.1Low69 Ų6987.9 Ų87.926%0.2647%0.471SS..PPolyproline II helixtrans-68119.9-174.8-173.7169178.4154.6-9.7111.1Q104 K105 T258 F278 W279 V281 D313Q104-R107 WeakPolarHBondContact O-CB 3.41Å; Q104-R107 PolarHBondContact O-N 3.39Å; K105-R107 PolarHBondContact O-N 3.2Å; R107-T258 HydrophobicContact CG-CG2 3.99Å; R107-F278 VanDerWaalsContact CZ-O 3.25Å; R107-F278 PolarHBondContact NH1-O 3.35Å; R107-F278 PolarHBondContact NH2-O 2.86Å; R107-W279 PolarHBondContact NH1-O 3.37Å; R107-V281 HydrophobicContact CG-CG2 4.29Å; R107-D313 IonicContact CZ-OD2 2.85Å; R107-D313 IonicContact NH1-OD2 3.45Å; R107-D313 PolarHBondContact NH1-OD2 2.85Å; R107-D313 IonicContact NH2-OD2 3.96Å
108P71.4Confident69.8Low39 Ų3985.8 Ų85.825%0.25346%0.457SS..PPolyproline II helixtrans-62.6152174.3-20.833.5000112E106 P257 V281E106-P108 VanDerWaalsContact O-CD 3.26Å; E106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-P257 HydrophobicContact CG-CB 4.41Å; P108-V281 HydrophobicContact CG-CG1 4.19Å
109S69.3Low71.2Confident73 Ų7384.1 Ų84.151%0.5145%0.451SS..PPolyproline II helixtrans-63.3140.6177.5175.50000112N111 Q112S109-N111 PolarHBondContact O-N 3.3Å; S109-N111 VanDerWaalsContact O-N 3.16Å; S109-N111 PolarHBondContact OG-N 3.36Å; S109-Q112 PolarHBondContact O-N 3.38Å
110S66.1Low72.5Confident43 Ų4387.6 Ų87.630%0.30146%0.458SS..THydrogen-bonded Turntrans-62.2-18.9179.4-164.70000114.3N256 T258 V259S110-N256 PolarHBondContact O-ND2 3.44Å; S110-T258 WeakPolarHBondContact CA-OG1 3.36Å; S110-V259 WeakPolarHBondContact OG-CG2 3.28Å
111N67.4Low74Confident150 Ų15087.7 Ų87.780%0.80245%0.453SS*.THydrogen-bonded Turntrans-91.111.4-175.3-67.5-24.4000114.3S109S109-N111 PolarHBondContact O-N 3.3Å; S109-N111 VanDerWaalsContact O-N 3.16Å; S109-N111 PolarHBondContact OG-N 3.36Å
112Q74Confident75.4Confident84 Ų8482.3 Ų82.339%0.39343%0.431SS..SBendtrans-63153.2174-81.9-176.54.200112.3S109 M114 N256S109-Q112 PolarHBondContact O-N 3.38Å; Q112-M114 PolarHBondContact O-N 3.31Å; Q112-N256 WeakPolarHBondContact CB-ND2 3.24Å; Q112-N256 WeakPolarHBondContact CB-OD1 3.49Å; Q112-N256 PolarHBondContact N-ND2 2.77Å; Q112-N256 VanDerWaalsContact O-CG 3.3Å; Q112-N256 PolarHBondContact O-ND2 2.81Å; Q112-N256 PolarHBondContact O-OD1 3.36Å
113P72.9Confident76.6Confident114 Ų11483.9 Ų83.974%0.7444%0.444SS*.PPolyproline II helixtrans-63.5130.2-178.125.8-34.2000111.2N256P113-N256 PolarHBondContact O-OD1 2.78Å
114M83.8Confident78Confident71 Ų7186.4 Ų86.435%0.3546%0.464SS..PPolyproline II helixtrans-74142.5-178.8-54.9-157.6-179.600111.4Q112 E254 N256 V259 I261Q112-M114 PolarHBondContact O-N 3.31Å; M114-E254 HydrophobicContact CB-CB 4.12Å; M114-E254 HydrophobicContact SD-CB 4.31Å; M114-N256 HydrophobicContact CG-CB 4.46Å; M114-V259 HydrophobicContact CE-CG1 4.1Å; M114-I261 HydrophobicContact CE-CD1 3.39Å; M114-I261 HydrophobicContact CE-CG1 3.83Å; M114-I261 HydrophobicContact SD-CB 4.32Å; M114-I261 HydrophobicContact SD-CD1 3.47Å; M114-I261 WeakPolarHBondContact SD-CD1 3.14Å; M114-I261 HydrophobicContact SD-CG1 3.67Å
115T85.3Confident79.1Confident69 Ų6981.4 Ų81.442%0.42344%0.44SS..EExtended strand (participates in β ladder)trans-109.7128.4176.4-56.90000109.5L117 A255T115-L117 PolarHBondContact O-N 3.43Å; T115-A255 PolarHBondContact N-O 3.42Å; T115-A255 PolarHBondContact O-N 3.39Å
116K87.2Confident80.3Confident142 Ų14275.1 Ų75.162%0.61742%0.417SS*.EExtended strand (participates in β ladder)trans-65.6123.4171.6-76.2-175.1176.9-171.10109.9S252 E254K116-S252 WeakPolarHBondContact CE-OG 3.47Å; K116-E254 WeakPolarHBondContact CE-OE1 3.17Å; K116-E254 HydrophobicContact CG-CG 3.56Å; K116-E254 IonicContact NZ-OE1 3.2Å
117L87.6Confident81.4Confident9 Ų974.6 Ų74.65%0.04742%0.415CS..PPolyproline II helixtrans-77.5138.7-179.9-66.3-175.3000110.6T115 H119 V253 A255 L260 A284 V289 I298 L300T115-L117 PolarHBondContact O-N 3.43Å; L117-H119 PolarHBondContact O-N 2.94Å; L117-V253 HydrophobicContact CD1-CG1 4.15Å; L117-V253 PolarHBondContact N-O 3.45Å; L117-A255 HydrophobicContact CD1-CB 3.77Å; L117-A255 HydrophobicContact CD2-CB 3.93Å; L117-A255 HydrophobicContact CG-CB 3.79Å; L117-L260 HydrophobicContact CD1-CD1 4.32Å; L117-A284 HydrophobicContact CD2-CB 4.47Å; L117-A284 WeakPolarHBondContact CD2-O 3.42Å; L117-V289 HydrophobicContact CB-CG2 3.8Å; L117-V289 HydrophobicContact CD1-CG2 4.14Å; L117-I298 HydrophobicContact CD1-CG2 4.11Å; L117-L300 HydrophobicContact CD1-CD2 4.01Å
118P87.2Confident82.1Confident80 Ų8072.3 Ų72.352%0.51941%0.411SS..PPolyproline II helixtrans-65.3127.517427.6-33.2000109.4V289P118-V289 PolarHBondContact O-N 3.14Å
119H88Confident82.6Confident92 Ų9270.5 Ų70.543%0.42640%0.399SS..EExtended strand (participates in β ladder)trans-102.5137.5176.463.5-90.3000110.9L117 V289 M291L117-H119 PolarHBondContact O-N 2.94Å; H119-V289 CarbonylContact C-O 3.56Å; H119-V289 WeakPolarHBondContact CA-O 3.49Å; H119-V289 HydrophobicContact CB-CB 3.94Å; H119-V289 HydrophobicContact CB-CG1 4.29Å; H119-M291 HydrophobicContact CB-SD 4.44Å
120K89Confident83.2Confident142 Ų14273.2 Ų73.262%0.61740%0.404SS*.EExtended strand (participates in β ladder)trans-108122.7173.2-66.8-177.3-178.9179.10108.1V289 N290 M291K120-V289 PolarHBondContact N-O 3.45Å; K120-N290 WeakPolarHBondContact O-CA 3.44Å; K120-M291 PolarHBondContact O-N 3.28Å
121V89.6Confident83.8Confident52 Ų5279.8 Ų79.832%0.31543%0.427SS..EExtended strand (participates in β ladder)trans-95.2124.3177.6-176.90000108.9L125 V126 P248V121-L125 HydrophobicContact CG1-CB 4.23Å; V121-L125 HydrophobicContact CG1-CD2 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.38Å; V121-V126 HydrophobicContact CG1-CG2 3.68Å; V121-P248 HydrophobicContact CG2-CB 3.66Å; V121-P248 HydrophobicContact CG2-CG 4.23Å
122S89.2Confident83.9Confident26 Ų2677.2 Ų77.218%0.18241%0.413CS..  trans-71.2143.1173.861.50000111.3S124 L125 V126 M291 V292S122-S124 PolarHBondContact O-N 3.4Å; S122-S124 VanDerWaalsContact O-N 3.15Å; S122-L125 WeakPolarHBondContact O-CB 3.47Å; S122-L125 PolarHBondContact O-N 3.33Å; S122-V126 PolarHBondContact O-N 3.18Å; S122-M291 WeakPolarHBondContact CB-O 3.5Å; S122-M291 PolarHBondContact N-O 3.02Å; S122-M291 PolarHBondContact OG-O 3.47Å; S122-V292 WeakPolarHBondContact OG-CA 3.32Å
123A87.2Confident83.4Confident70 Ų7075.1 Ų75.158%0.57941%0.414SS*.Hα-helixtrans-57-32178.100000112.8L125 V126 Q127A123-L125 VanDerWaalsContact C-N 3.33Å; A123-L125 PolarHBondContact O-N 3.27Å; A123-V126 PolarHBondContact O-N 2.99Å; A123-Q127 WeakPolarHBondContact O-CG 3.3Å; A123-Q127 PolarHBondContact O-N 3.2Å; A123-Q127 VanDerWaalsContact O-N 3.12Å
124S88.1Confident82.6Confident74 Ų7471.7 Ų71.752%0.51739%0.389SS..Hα-helixtrans-66.4-32175.7-50.90000113.1S122 A128S122-S124 PolarHBondContact O-N 3.4Å; S122-S124 VanDerWaalsContact O-N 3.15Å; S124-A128 WeakPolarHBondContact O-CB 3.43Å; S124-A128 PolarHBondContact O-N 2.87Å; S124-A128 VanDerWaalsContact O-N 3.11Å
125L84.9Confident81Confident0 Ų072 Ų720%039%0.392CS..Hα-helixtrans-70.1-43.4175.2-179.962.2000110.7V121 S122 A123 Q127 A128 L129 M291 P293V121-L125 HydrophobicContact CG1-CB 4.23Å; V121-L125 HydrophobicContact CG1-CD2 4.1Å; V121-L125 HydrophobicContact CG1-CG 4.38Å; S122-L125 WeakPolarHBondContact O-CB 3.47Å; S122-L125 PolarHBondContact O-N 3.33Å; A123-L125 VanDerWaalsContact C-N 3.33Å; A123-L125 PolarHBondContact O-N 3.27Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.84Å; L125-A128 WeakPolarHBondContact O-CB 3.31Å; L125-A128 PolarHBondContact O-N 3.38Å; L125-A128 VanDerWaalsContact O-N 3.1Å; L125-L129 HydrophobicContact CD1-CD1 4.31Å; L125-L129 HydrophobicContact CD1-CG 4.16Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 HydrophobicContact CG-CG 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 2.92Å; L125-M291 HydrophobicContact CD2-CB 3.59Å; L125-P293 HydrophobicContact CB-CG 4.26Å
126V85.9Confident79.4Confident57 Ų5773.5 Ų73.535%0.34539%0.39SS..Hα-helixtrans-56.2-49.9175.9-176.40000110.6V121 S122 A123 A128 L129 E130V121-V126 HydrophobicContact CG1-CG2 3.68Å; S122-V126 PolarHBondContact O-N 3.18Å; A123-V126 PolarHBondContact O-N 2.99Å; V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 3.5Å; V126-L129 PolarHBondContact O-N 3.11Å; V126-E130 WeakPolarHBondContact O-CG 3.29Å; V126-E130 PolarHBondContact O-N 2.83Å
127Q85.7Confident77.6Confident110 Ų11069.4 Ų69.451%0.51438%0.379SS..Hα-helixtrans-62.4-33.6177.6-69.4177.412.100113.4A123 L125 K131A123-Q127 WeakPolarHBondContact O-CG 3.3Å; A123-Q127 PolarHBondContact O-N 3.2Å; A123-Q127 VanDerWaalsContact O-N 3.12Å; L125-Q127 VanDerWaalsContact C-N 3.34Å; L125-Q127 PolarHBondContact O-N 2.84Å; Q127-K131 WeakPolarHBondContact O-CB 3.45Å; Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.39Å; Q127-K131 PolarHBondContact O-N 3.32Å; Q127-K131 VanDerWaalsContact O-N 3.14Å
128A83.5Confident75.4Confident21 Ų2173.3 Ų73.317%0.17441%0.412CS..Hα-helixtrans-70.7-39.5176.700000111.6S124 L125 V126 K131 L132 P293S124-A128 WeakPolarHBondContact O-CB 3.43Å; S124-A128 PolarHBondContact O-N 2.87Å; S124-A128 VanDerWaalsContact O-N 3.11Å; L125-A128 WeakPolarHBondContact O-CB 3.31Å; L125-A128 PolarHBondContact O-N 3.38Å; L125-A128 VanDerWaalsContact O-N 3.1Å; V126-A128 VanDerWaalsContact C-N 3.28Å; V126-A128 PolarHBondContact O-N 3.5Å; A128-K131 PolarHBondContact O-N 2.9Å; A128-L132 WeakPolarHBondContact O-CB 3.3Å; A128-L132 WeakPolarHBondContact O-CD1 3.35Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.25Å; A128-L132 VanDerWaalsContact O-N 3.13Å; A128-P293 HydrophobicContact CB-CB 4.49Å
129L83.1Confident73.3Confident2 Ų274.1 Ų74.11%0.0141%0.409CS..Hα-helixtrans-67.6-41.6176.3-67.7174.4000111.7L125 V126 K131 L132 G133 L134 N245 P248L125-L129 HydrophobicContact CD1-CD1 4.31Å; L125-L129 HydrophobicContact CD1-CG 4.16Å; L125-L129 HydrophobicContact CG-CD1 4.06Å; L125-L129 HydrophobicContact CG-CG 4.34Å; L125-L129 WeakPolarHBondContact O-CG 3.45Å; L125-L129 PolarHBondContact O-N 2.92Å; V126-L129 PolarHBondContact O-N 3.11Å; L129-K131 PolarHBondContact O-N 3.26Å; L129-L132 CarbonylContact O-C 3.49Å; L129-L132 PolarHBondContact O-N 2.97Å; L129-G133 PolarHBondContact O-N 2.83Å; L129-L134 HydrophobicContact CD2-CB 4.03Å; L129-L134 HydrophobicContact CD2-CD1 3.82Å; L129-L134 PolarHBondContact O-N 2.82Å; L129-N245 HydrophobicContact CD2-CB 4.3Å; L129-P248 HydrophobicContact CD1-CG 4.46Å
130E81.8Confident71.1Confident130 Ų13071.6 Ų71.661%0.60740%0.402SS*.Hα-helixtrans-58.5-46.9173.6-75.3175.7173.600111.7V126 L132 G133V126-E130 WeakPolarHBondContact O-CG 3.29Å; V126-E130 PolarHBondContact O-N 2.83Å; E130-L132 VanDerWaalsContact C-N 3.27Å; E130-L132 PolarHBondContact O-N 3.43Å; E130-G133 PolarHBondContact O-N 2.96Å
131K79.3Confident69Low181 Ų18172.4 Ų72.479%0.78741%0.408SS*.Hα-helixtrans-63.4-31.6177.4-77.4177.6-177.8-177.70113.4Q127 A128 L129Q127-K131 WeakPolarHBondContact O-CB 3.45Å; Q127-K131 VanDerWaalsContact O-CG 3.31Å; Q127-K131 WeakPolarHBondContact O-CG 3.39Å; Q127-K131 PolarHBondContact O-N 3.32Å; Q127-K131 VanDerWaalsContact O-N 3.14Å; A128-K131 PolarHBondContact O-N 2.9Å; L129-K131 PolarHBondContact O-N 3.26Å
132L68.7Low66.6Low96 Ų9678.5 Ų78.550%0.50343%0.43SS..Hα-helixtrans-90-3.7-179.8-68.6168.2000112.8A128 L129 E130 L134 N245A128-L132 WeakPolarHBondContact O-CB 3.3Å; A128-L132 WeakPolarHBondContact O-CD1 3.35Å; A128-L132 VanDerWaalsContact O-CG 3.29Å; A128-L132 WeakPolarHBondContact O-CG 3.41Å; A128-L132 PolarHBondContact O-N 3.25Å; A128-L132 VanDerWaalsContact O-N 3.13Å; L129-L132 CarbonylContact O-C 3.49Å; L129-L132 PolarHBondContact O-N 2.97Å; E130-L132 VanDerWaalsContact C-N 3.27Å; E130-L132 PolarHBondContact O-N 3.43Å; L132-L134 HydrophobicContact CB-CD1 3.74Å; L132-L134 HydrophobicContact CB-CG 3.8Å; L132-L134 HydrophobicContact CD1-CD1 4.01Å; L132-L134 PolarHBondContact O-N 3.28Å; L132-N245 HydrophobicContact CD1-CB 4.04Å; L132-N245 VanDerWaalsContact CD1-CG 3.48Å; L132-N245 WeakPolarHBondContact CD1-ND2 3.5Å
133G62.7Low64.3Low40 Ų4082.8 Ų82.841%0.41245%0.446SS..THydrogen-bonded Turntrans65.419.3-179.700000114.2L129 E130 D135 R136L129-G133 PolarHBondContact O-N 2.83Å; E130-G133 PolarHBondContact O-N 2.96Å; G133-D135 VanDerWaalsContact C-N 3.27Å; G133-D135 PolarHBondContact O-N 3.46Å; G133-R136 PolarHBondContact O-N 3.41Å
134L58.1Low62.5Low41 Ų4184 Ų8422%0.21544%0.439CS..THydrogen-bonded Turntrans-76.6-10.2-170.4-70.5170.7000114.1L129 L132 N245L129-L134 HydrophobicContact CD2-CB 4.03Å; L129-L134 HydrophobicContact CD2-CD1 3.82Å; L129-L134 PolarHBondContact O-N 2.82Å; L132-L134 HydrophobicContact CB-CD1 3.74Å; L132-L134 HydrophobicContact CB-CG 3.8Å; L132-L134 HydrophobicContact CD1-CD1 4.01Å; L132-L134 PolarHBondContact O-N 3.28Å; L134-N245 HydrophobicContact CD1-CB 4.3Å
135D49.6Very low60.7Low77 Ų7784.2 Ų84.241%0.41244%0.441SS..THydrogen-bonded Turntrans-89.6-5.4176.7-61.6-34.3000113.2G133 S137G133-D135 VanDerWaalsContact C-N 3.27Å; G133-D135 PolarHBondContact O-N 3.46Å; D135-S137 VanDerWaalsContact C-N 3.35Å; D135-S137 PolarHBondContact O-N 3.01Å
136R51.1Low59Low102 Ų10291.7 Ų91.739%0.38548%0.476SS..G310 helixtrans-89.119.2-177.1-71.9177.269.686.610.3114.9G133 A138 E139 S140G133-R136 PolarHBondContact O-N 3.41Å; R136-A138 PolarHBondContact O-N 2.97Å; R136-A138 VanDerWaalsContact O-N 3.07Å; R136-E139 HydrophobicContact CB-CB 4.37Å; R136-E139 IonicContact CZ-OE1 3.9Å; R136-E139 IonicContact CZ-OE2 2.98Å; R136-E139 IonicContact NE-OE2 2.74Å; R136-E139 IonicContact NH1-OE1 3.98Å; R136-E139 PolarHBondContact NH1-OE1 3.39Å; R136-E139 IonicContact NH1-OE2 3.58Å; R136-E139 PolarHBondContact NH1-OE2 3.27Å; R136-E139 IonicContact NH2-OE1 3.8Å; R136-E139 PolarHBondContact NH2-OE1 3.17Å; R136-E139 IonicContact NH2-OE2 3.42Å; R136-E139 PolarHBondContact NH2-OE2 3.29Å; R136-E139 PolarHBondContact O-N 3.02Å; R136-S140 PolarHBondContact O-N 2.92Å; R136-S140 PolarHBondContact O-OG 3.18Å
137S48.8Very low57.7Low56 Ų5696.1 Ų96.139%0.39250%0.497SS..G310 helixtrans-60.4-21.5-179.4-670000113.8D135 S140D135-S137 VanDerWaalsContact C-N 3.35Å; D135-S137 PolarHBondContact O-N 3.01Å; S137-S140 PolarHBondContact O-OG 3.47Å
138A42.2Very low56.8Low90 Ų9092 Ų9274%0.74448%0.479SS*.G310 helixtrans-91.5-16.6174.400000114R136R136-A138 PolarHBondContact O-N 2.97Å; R136-A138 VanDerWaalsContact O-N 3.07Å
139E42Very low56.4Low98 Ų9898.2 Ų98.246%0.45851%0.507SS..THydrogen-bonded Turntrans-97.9-19.4177.1-108.4-171.7109.300112.6R136R136-E139 HydrophobicContact CB-CB 4.37Å; R136-E139 IonicContact CZ-OE1 3.9Å; R136-E139 IonicContact CZ-OE2 2.98Å; R136-E139 IonicContact NE-OE2 2.74Å; R136-E139 IonicContact NH1-OE1 3.98Å; R136-E139 PolarHBondContact NH1-OE1 3.39Å; R136-E139 IonicContact NH1-OE2 3.58Å; R136-E139 PolarHBondContact NH1-OE2 3.27Å; R136-E139 IonicContact NH2-OE1 3.8Å; R136-E139 PolarHBondContact NH2-OE1 3.17Å; R136-E139 IonicContact NH2-OE2 3.42Å; R136-E139 PolarHBondContact NH2-OE2 3.29Å; R136-E139 PolarHBondContact O-N 3.02Å
140S43.7Very low56.3Low39 Ų39105 Ų10527%0.27354%0.538SS..Hα-helixtrans-68.4-34.8178.151.90000112.4R136 S137 K142 K143 E144R136-S140 PolarHBondContact O-N 2.92Å; R136-S140 PolarHBondContact O-OG 3.18Å; S137-S140 PolarHBondContact O-OG 3.47Å; S140-K142 PolarHBondContact O-N 3.34Å; S140-K142 VanDerWaalsContact O-N 3.13Å; S140-K143 PolarHBondContact O-N 2.92Å; S140-E144 WeakPolarHBondContact O-CB 3.46Å; S140-E144 WeakPolarHBondContact O-CG 3.34Å; S140-E144 PolarHBondContact O-N 3.32Å
141E44Very low56.3Low158 Ų158101.1 Ų101.174%0.73853%0.534SS*.Hα-helixtrans-64.1-22-179.7-63.9-165.9151.200113.8
142K39.1Very low56.5Low180 Ų18094.4 Ų94.478%0.78351%0.508SS*.Hα-helixtrans-98.4-18178.7-72.4-174.9179.4179.70114.6S140S140-K142 PolarHBondContact O-N 3.34Å; S140-K142 VanDerWaalsContact O-N 3.13Å
143K41.4Very low57.4Low117 Ų11798.7 Ų98.751%0.50952%0.517SS..Hα-helixtrans-100.4-15.7175.1-79.9-174.4175.3-178.40113.4S140 S145 E146S140-K143 PolarHBondContact O-N 2.92Å; K143-S145 PolarHBondContact O-N 3.48Å; K143-E146 PolarHBondContact O-N 3.49Å; K143-E146 VanDerWaalsContact O-N 3.13Å
144E49.9Very low58.6Low94 Ų9497.2 Ų97.244%0.43950%0.501SS..THydrogen-bonded Turntrans-66.4-18.8-178.4-90175.4175.900114.5S140 V148S140-E144 WeakPolarHBondContact O-CB 3.46Å; S140-E144 WeakPolarHBondContact O-CG 3.34Å; S140-E144 PolarHBondContact O-N 3.32Å; E144-V148 WeakPolarHBondContact O-CG2 3.2Å
145S49.8Very low59.8Low79 Ų79101.3 Ų101.355%0.55252%0.517SS*.THydrogen-bonded Turntrans-81.7-2017357.70000113.8K143K143-S145 PolarHBondContact O-N 3.48Å
146E49.3Very low61.6Low158 Ų15898.9 Ų98.974%0.73850%0.504SS*.THydrogen-bonded Turntrans-90-22-175.5-77-175.7149.300113.7K143K143-E146 PolarHBondContact O-N 3.49Å; K143-E146 VanDerWaalsContact O-N 3.13Å
147D57.1Low63.2Low149 Ų14997.1 Ų97.180%0.79751%0.505SS*.SBendtrans-105.19.5-173.5-98.8-18.5000114.9M149D147-M149 PolarHBondContact O-N 3.14Å
148V67.3Low64.8Low23 Ų2395.8 Ų95.814%0.13950%0.5CS..  trans-74.3112.5176.5-173.30000109.6E144 T152 Y163 W215E144-V148 WeakPolarHBondContact O-CG2 3.2Å; V148-T152 HydrophobicContact CG1-CG2 4.14Å; V148-Y163 HydrophobicContact CB-CD1 3.94Å; V148-Y163 HydrophobicContact CB-CE1 3.78Å; V148-Y163 HydrophobicContact CG1-CD1 3.48Å; V148-Y163 VanDerWaalsContact CG1-CD1 3.48Å; V148-Y163 HydrophobicContact CG1-CD2 4.41Å; V148-Y163 HydrophobicContact CG1-CE1 3.88Å; V148-Y163 HydrophobicContact CG1-CG 3.78Å; V148-Y163 WeakPolarHBondContact O-CE1 3.29Å; V148-W215 HydrophobicContact CG1-CB 3.78Å; V148-W215 HydrophobicContact CG1-CG 4.19Å; V148-W215 HydrophobicContact CG2-CB 4.08Å
149M76.5Confident66.9Low153 Ų15392.1 Ų92.175%0.75447%0.468SS*.  trans-67.2141.3176.9-78.1-152.8-75.600112.1D147 G151 T152D147-M149 PolarHBondContact O-N 3.14Å; M149-G151 PolarHBondContact O-N 3.19Å; M149-T152 WeakPolarHBondContact O-CB 3.1Å; M149-T152 PolarHBondContact O-N 2.9Å; M149-T152 VanDerWaalsContact O-N 3.16Å; M149-T152 PolarHBondContact O-OG1 3.13Å
150H80Confident68.9Low143 Ų14393.9 Ų93.966%0.66247%0.474SS*.THydrogen-bonded Turntrans-56.6132.8172.5-69.9-139.4000109Y163 E164H150-Y163 WeakPolarHBondContact CA-O 3.36Å; H150-E164 PolarHBondContact CE1-O 2.96Å; H150-E164 VanDerWaalsContact CE1-O 3.26Å; H150-E164 PolarHBondContact ND1-O 2.87Å
151G81.1Confident70.9Confident50 Ų5094.3 Ų94.352%0.51548%0.475SS..THydrogen-bonded Turntrans98.9-1.9-173.100000115M149 R153 V162 Y163M149-G151 PolarHBondContact O-N 3.19Å; G151-R153 PolarHBondContact O-N 3.35Å; G151-V162 VanDerWaalsContact C-CG1 3.42Å; G151-V162 VanDerWaalsContact CA-CG1 3.41Å; G151-V162 WeakPolarHBondContact O-CG1 3.29Å; G151-Y163 PolarHBondContact N-O 3.41Å
152T85Confident73Confident40 Ų4089.1 Ų89.125%0.24545%0.454CS..PPolyproline II helixtrans-72122.7177.4-58.70000110.7V148 M149 Y163 W215V148-T152 HydrophobicContact CG1-CG2 4.14Å; M149-T152 WeakPolarHBondContact O-CB 3.1Å; M149-T152 PolarHBondContact O-N 2.9Å; M149-T152 VanDerWaalsContact O-N 3.16Å; M149-T152 PolarHBondContact O-OG1 3.13Å; T152-Y163 WeakPolarHBondContact O-CB 3.49Å; T152-Y163 PolarHBondContact O-N 2.74Å; T152-W215 HydrophobicContact CG2-CB 4.38Å; T152-W215 WeakPolarHBondContact O-CZ3 3.37Å
153R87.1Confident75.3Confident185 Ų18581.5 Ų81.570%0.69842%0.421SS*.BIsolated β-bridgetrans-77.8143.9177.3-59.2-174.2-177.9-179.40111.4G151 K155 V162G151-R153 PolarHBondContact O-N 3.35Å; R153-K155 PolarHBondContact O-N 2.88Å; R153-V162 HydrophobicContact CG-CG2 4.28Å
154C87.6Confident77.3Confident10 Ų1082.9 Ų82.97%0.06843%0.429CS..PPolyproline II helixtrans-55.9134.5172.6-172.90000110.4C159 T161 W215C154-C159 HydrophobicContact CB-CB 3.95Å; C154-C159 VanDerWaalsContact CB-SG 3.56Å; C154-T161 PolarHBondContact N-O 2.98Å; C154-W215 HydrophobicContact CB-CE3 4.27Å; C154-W215 HydrophobicContact CB-CH2 4.48Å; C154-W215 HydrophobicContact CB-CZ3 3.88Å
155K84.1Confident78.8Confident127 Ų12778.7 Ų78.755%0.55241%0.411SS*.  trans-89-5.7-179.8-62.5-66.7-176.3179.50113.1R153 R214 W215R153-K155 PolarHBondContact O-N 2.88Å; K155-R214 WeakPolarHBondContact CB-O 3.3Å; K155-R214 PolarHBondContact N-O 3.44Å; K155-W215 WeakPolarHBondContact CG-O 3.44Å
156N86.3Confident80.2Confident25 Ų2579.4 Ų79.413%0.13441%0.413CS..SBendtrans-69.5137.1173.3-68.6-19.8000110.3G158 C159 C173 H175 K212 R214N156-G158 PolarHBondContact O-N 2.88Å; N156-C159 HydrophobicContact CB-CB 4.13Å; N156-C159 WeakPolarHBondContact O-CB 3.4Å; N156-C159 PolarHBondContact O-N 3.39Å; N156-C159 VanDerWaalsContact O-N 3.1Å; N156-C173 PolarHBondContact ND2-SG 3.28Å; N156-H175 HydrophobicContact CB-CB 3.58Å; N156-K212 PolarHBondContact ND2-O 2.76Å; N156-R214 WeakPolarHBondContact OD1-CB 3.02Å
157T85.3Confident81.5Confident66 Ų6678 Ų7841%0.40541%0.411SS..THydrogen-bonded Turntrans-59.8122.6-178.324.20000111.8C159 H175 H176 W189T157-C159 VanDerWaalsContact C-N 3.31Å; T157-C159 PolarHBondContact O-N 3.1Å; T157-H175 CarbonylContact O-C 3.57Å; T157-H175 WeakPolarHBondContact O-CA 3.39Å; T157-H175 WeakPolarHBondContact O-CB 3.48Å; T157-H176 PolarHBondContact O-N 2.86Å; T157-H176 PolarHBondContact OG1-O 3.41Å; T157-W189 HydrophobicContact CG2-CH2 3.92Å; T157-W189 HydrophobicContact CG2-CZ3 3.95Å
158G81.6Confident82.5Confident28 Ų2871.4 Ų71.429%0.28938%0.376SS..THydrogen-bonded Turntrans84.4-5.3-178.200000115.1N156N156-G158 PolarHBondContact O-N 2.88Å
159C87.1Confident82.8Confident12 Ų1273.9 Ų73.98%0.08139%0.389CS..  trans-88124.6176.9-167.90000110.7C154 N156 T157 T161 C173 H213C154-C159 HydrophobicContact CB-CB 3.95Å; C154-C159 VanDerWaalsContact CB-SG 3.56Å; N156-C159 HydrophobicContact CB-CB 4.13Å; N156-C159 WeakPolarHBondContact O-CB 3.4Å; N156-C159 PolarHBondContact O-N 3.39Å; N156-C159 VanDerWaalsContact O-N 3.1Å; T157-C159 VanDerWaalsContact C-N 3.31Å; T157-C159 PolarHBondContact O-N 3.1Å; C159-T161 PolarHBondContact SG-OG1 3.16Å; C159-C173 PolarHBondContact SG-SG 3.35Å; C159-H213 PolarHBondContact SG-CE1 3.3Å
160K84Confident82.8Confident135 Ų13572.1 Ų72.159%0.58739%0.387SS*.  trans-105.4-0.2-177.7-63-178.2-177.6179.90114.2D204K160-D204 IonicContact NZ-OD1 2.59Å; K160-D204 PolarHBondContact NZ-OD1 3.34Å
161T85.8Confident82.9Confident48 Ų4870.1 Ų70.129%0.29438%0.378SS..  trans-65.3146.2-178.1-5.90000112C154 C159 H213C154-T161 PolarHBondContact N-O 2.98Å; C159-T161 PolarHBondContact SG-OG1 3.16Å; T161-H213 PolarHBondContact OG1-CE1 3.23Å
162V88.1Confident83.1Confident49 Ų4971.8 Ų71.830%0.29738%0.378SS..BIsolated β-bridgetrans-113.9138.8-177.3-171.80000108.1G151 R153 E164G151-V162 VanDerWaalsContact C-CG1 3.42Å; G151-V162 VanDerWaalsContact CA-CG1 3.41Å; G151-V162 WeakPolarHBondContact O-CG1 3.29Å; R153-V162 HydrophobicContact CG-CG2 4.28Å; V162-E164 PolarHBondContact O-N 2.77Å
163Y87Confident83.3Confident21 Ų2169.9 Ų69.98%0.08237%0.366CS..  trans-72.7117.4177.5-173.6-107.9000110.2V148 H150 G151 T152 G165 T168 W215V148-Y163 HydrophobicContact CB-CD1 3.94Å; V148-Y163 HydrophobicContact CB-CE1 3.78Å; V148-Y163 HydrophobicContact CG1-CD1 3.48Å; V148-Y163 VanDerWaalsContact CG1-CD1 3.48Å; V148-Y163 HydrophobicContact CG1-CD2 4.41Å; V148-Y163 HydrophobicContact CG1-CE1 3.88Å; V148-Y163 HydrophobicContact CG1-CG 3.78Å; V148-Y163 WeakPolarHBondContact O-CE1 3.29Å; H150-Y163 WeakPolarHBondContact CA-O 3.36Å; G151-Y163 PolarHBondContact N-O 3.41Å; T152-Y163 WeakPolarHBondContact O-CB 3.49Å; T152-Y163 PolarHBondContact O-N 2.74Å; Y163-G165 WeakPolarHBondContact CE2-O 3.46Å; Y163-T168 WeakPolarHBondContact CD2-OG1 3.43Å; Y163-W215 AromaticContact CD2-CD2 3.91Å; Y163-W215 HydrophobicContact CD2-CD2 3.91Å; Y163-W215 AromaticContact CD2-CE2 3.52Å; Y163-W215 HydrophobicContact CD2-CE3 4.46Å; Y163-W215 HydrophobicContact CD2-CG 4.3Å; Y163-W215 HydrophobicContact CD2-CH2 4.28Å; Y163-W215 AromaticContact CD2-CZ2 3.72Å; Y163-W215 HydrophobicContact CD2-CZ2 3.72Å; Y163-W215 AromaticContact CD2-NE1 3.75Å; Y163-W215 HydrophobicContact CG-CD2 4.26Å; Y163-W215 HydrophobicContact CG-CE3 4.47Å; Y163-W215 HydrophobicContact CG-CZ2 4.49Å
164E83.3Confident83.5Confident146 Ų14664.1 Ų64.168%0.68235%0.351SS*.  trans-115.81.2177.5-63.2-173.3166.300112.5H150 V162 T168H150-E164 PolarHBondContact CE1-O 2.96Å; H150-E164 VanDerWaalsContact CE1-O 3.26Å; H150-E164 PolarHBondContact ND1-O 2.87Å; V162-E164 PolarHBondContact O-N 2.77Å; E164-T168 HydrophobicContact CB-CG2 3.93Å; E164-T168 PolarHBondContact N-OG1 3.39Å
165G82.5Confident83.5Confident5 Ų565.1 Ų65.15%0.05236%0.355CS..SBendtrans145.4-178.8-179.900000112.5Y163 D167 T168Y163-G165 WeakPolarHBondContact CE2-O 3.46Å; G165-D167 PolarHBondContact O-N 3.16Å; G165-D167 VanDerWaalsContact O-N 3.16Å; G165-T168 PolarHBondContact O-N 2.78Å; G165-T168 PolarHBondContact O-OG1 2.84Å
166P77.9Confident83.7Confident94 Ų9459.1 Ų59.161%0.6133%0.329SS*.G310 helixtrans-62.3-22.8-176.923.1-32.1000113.9T168 D169P166-T168 VanDerWaalsContact C-N 3.28Å; P166-T168 PolarHBondContact O-N 2.98Å; P166-D169 WeakPolarHBondContact O-CB 3.32Å; P166-D169 PolarHBondContact O-N 3.39Å
167D76.3Confident83.6Confident129 Ų12961.8 Ų61.869%0.6935%0.348SS*.G310 helixtrans-62.5-36.2174.1-62.9-47.7000111.8G165 D169 T170G165-D167 PolarHBondContact O-N 3.16Å; G165-D167 VanDerWaalsContact O-N 3.16Å; D167-D169 PolarHBondContact O-N 3.48Å; D167-T170 PolarHBondContact O-N 3.15Å; D167-T170 VanDerWaalsContact O-N 3.1Å; D167-T170 PolarHBondContact O-OG1 3.33Å
168T79.1Confident83.6Confident11 Ų1159.3 Ų59.37%0.06734%0.335CS..G310 helixtrans-69.4-16.8177.663.70000113.7Y163 E164 G165 P166 T170 E171 H213Y163-T168 WeakPolarHBondContact CD2-OG1 3.43Å; E164-T168 HydrophobicContact CB-CG2 3.93Å; E164-T168 PolarHBondContact N-OG1 3.39Å; G165-T168 PolarHBondContact O-N 2.78Å; G165-T168 PolarHBondContact O-OG1 2.84Å; P166-T168 VanDerWaalsContact C-N 3.28Å; P166-T168 PolarHBondContact O-N 2.98Å; T168-T170 VanDerWaalsContact C-N 3.31Å; T168-E171 PolarHBondContact O-N 2.95Å; T168-H213 PolarHBondContact O-CD2 3.2Å
169D74.4Confident83.9Confident74 Ų7460.8 Ų60.840%0.39635%0.345SS..G310 helixtrans-77-22.1174-160.653.4000112.2P166 D167 E171 W215P166-D169 WeakPolarHBondContact O-CB 3.32Å; P166-D169 PolarHBondContact O-N 3.39Å; D167-D169 PolarHBondContact O-N 3.48Å; D169-E171 VanDerWaalsContact C-N 3.33Å; D169-W215 PolarHBondContact OD1-NE1 3.12Å
170T75.8Confident84Confident117 Ų11763.1 Ų63.172%0.71836%0.36SS*.SBendtrans-82.2-13.3174.969.70000113.1D167 T168D167-T170 PolarHBondContact O-N 3.15Å; D167-T170 VanDerWaalsContact O-N 3.1Å; D167-T170 PolarHBondContact O-OG1 3.33Å; T168-T170 VanDerWaalsContact C-N 3.31Å
171E82.9Confident84.2Confident100 Ų10058.7 Ų58.747%0.46734%0.344SS..SBendtrans-71.5150175.2-64.4-173.6173.100111.9T168 D169 C173 H213T168-E171 PolarHBondContact O-N 2.95Å; D169-E171 VanDerWaalsContact C-N 3.33Å; E171-C173 PolarHBondContact O-N 3.42Å; E171-H213 PolarHBondContact O-CD2 3.5Å; E171-H213 VanDerWaalsContact O-CD2 3.27Å
172V85.3Confident84.4Confident86 Ų8662 Ų6252%0.52136%0.355SS..PPolyproline II helixtrans-83.7117.7-178.6-1750000110.2T174 M210V172-T174 PolarHBondContact O-N 3.43Å; V172-M210 HydrophobicContact CB-CE 4.2Å; V172-M210 HydrophobicContact CG1-CB 3.59Å; V172-M210 HydrophobicContact CG1-CE 3.59Å; V172-M210 HydrophobicContact CG1-CG 3.91Å; V172-M210 HydrophobicContact CG1-SD 4.47Å
173C88.6Confident84.3Confident0 Ų065 Ų650%037%0.365CS..EExtended strand (participates in β ladder)trans-78.2117.4176.5-178.90000111.1N156 C159 E171 M210 G211 K212 H213N156-C173 PolarHBondContact ND2-SG 3.28Å; C159-C173 PolarHBondContact SG-SG 3.35Å; E171-C173 PolarHBondContact O-N 3.42Å; C173-M210 CarbonylContact O-C 3.56Å; C173-M210 WeakPolarHBondContact O-CA 3.35Å; C173-G211 VanDerWaalsContact CB-O 3.31Å; C173-G211 WeakPolarHBondContact CB-O 3.47Å; C173-G211 PolarHBondContact N-O 2.97Å; C173-G211 PolarHBondContact O-N 2.77Å; C173-K212 VanDerWaalsContact CB-C 3.47Å; C173-H213 VanDerWaalsContact CA-CE1 3.46Å; C173-H213 WeakPolarHBondContact CA-CE1 3.38Å; C173-H213 WeakPolarHBondContact CA-NE2 3.01Å; C173-H213 HydrophobicContact CB-CB 4.38Å; C173-H213 VanDerWaalsContact CB-CE1 3.43Å; C173-H213 WeakPolarHBondContact CB-CE1 3.32Å; C173-H213 PolarHBondContact N-NE2 2.99Å
174T90.1Very high84.3Confident63 Ų6371.6 Ų71.639%0.38740%0.397SS..EExtended strand (participates in β ladder)trans-92.7113.1169.755.80000110.4V172 T209 M210V172-T174 PolarHBondContact O-N 3.43Å; T174-T209 CarbonylContact C-O 3.51Å; T174-T209 WeakPolarHBondContact CA-O 3.31Å; T174-M210 HydrophobicContact CG2-CG 4.22Å
175H89.4Confident84.4Confident32 Ų3267.4 Ų67.415%0.14839%0.393CS..EExtended strand (participates in β ladder)trans-138.6166.1-178.37375.2000113N156 T157 G207 C208 T209N156-H175 HydrophobicContact CB-CB 3.58Å; T157-H175 CarbonylContact O-C 3.57Å; T157-H175 WeakPolarHBondContact O-CA 3.39Å; T157-H175 WeakPolarHBondContact O-CB 3.48Å; H175-G207 VanDerWaalsContact C-CA 3.41Å; H175-G207 CarbonylContact O-C 3.55Å; H175-C208 PolarHBondContact O-N 2.8Å; H175-C208 VanDerWaalsContact O-N 3.13Å; H175-T209 PolarHBondContact N-O 2.86Å; H175-T209 PolarHBondContact O-N 2.75Å
176H86.6Confident84.6Confident0 Ų072.3 Ų72.30%041%0.411CS..  trans-95117.6170.5-71.9-66.4000109.6T157 G178 W189 C191 K206 C208T157-H176 PolarHBondContact O-N 2.86Å; T157-H176 PolarHBondContact OG1-O 3.41Å; H176-G178 VanDerWaalsContact C-N 3.28Å; H176-W189 HydrophobicContact CB-CB 4.39Å; H176-W189 HydrophobicContact CB-CD2 3.85Å; H176-W189 HydrophobicContact CB-CE3 3.96Å; H176-W189 HydrophobicContact CB-CG 4.03Å; H176-W189 AromaticContact CD2-CD1 3.48Å; H176-W189 VanDerWaalsContact CD2-CD1 3.48Å; H176-W189 AromaticContact CD2-CD2 3.92Å; H176-W189 AromaticContact CD2-CE2 3.71Å; H176-W189 AromaticContact CD2-CG 3.82Å; H176-W189 AromaticContact CD2-NE1 3.42Å; H176-W189 PolarHBondContact CD2-NE1 2.92Å; H176-W189 AromaticContact CE1-CD1 3.77Å; H176-W189 AromaticContact CG-CD1 3.75Å; H176-W189 AromaticContact CG-CD2 3.86Å; H176-W189 AromaticContact CG-CG 3.65Å; H176-W189 AromaticContact ND1-CD1 3.92Å; H176-W189 AromaticContact ND1-CG 3.91Å; H176-W189 AromaticContact NE2-CD1 3.5Å; H176-W189 AromaticContact NE2-NE1 3.69Å; H176-C191 PolarHBondContact ND1-SG 3.3Å; H176-C191 VanDerWaalsContact ND1-SG 3.38Å; H176-K206 PolarHBondContact CE1-O 2.86Å; H176-K206 PolarHBondContact NE2-O 2.74Å; H176-C208 PolarHBondContact ND1-SG 2.83Å
177P85.4Confident85.2Confident82 Ų8270.2 Ų70.253%0.53239%0.392SS..  trans-76.1-17.2175.529.5-34.8000113.1C191 T209P177-C191 HydrophobicContact CG-CB 3.81Å; P177-T209 VanDerWaalsContact CD-OG1 3.27Å; P177-T209 WeakPolarHBondContact CD-OG1 3.37Å; P177-T209 WeakPolarHBondContact CG-OG1 3.46Å
178G84.9Confident85.8Confident14 Ų1466.6 Ų66.614%0.14437%0.369CS..SBendtrans-82168.5-179.600000113.9H176 S190H176-G178 VanDerWaalsContact C-N 3.28Å; G178-S190 VanDerWaalsContact CA-OG 3.28Å; G178-S190 WeakPolarHBondContact CA-OG 3.48Å
179A87Confident86.3Confident59 Ų5966.9 Ų66.949%0.48837%0.369SS..PPolyproline II helixtrans-87.1153.2175.900000111.1V181 S190A179-V181 PolarHBondContact O-N 2.76Å; A179-S190 PolarHBondContact N-OG 2.83Å; A179-S190 PolarHBondContact O-N 2.8Å
180P89.2Confident87Confident61 Ų6166.2 Ų66.240%0.39637%0.37SS..EExtended strand (participates in β ladder)trans-69.5128.3171.331-34.2000109.7F182 W189 F202P180-F182 HydrophobicContact CB-CE2 3.99Å; P180-F182 HydrophobicContact CB-CZ 3.95Å; P180-F182 HydrophobicContact CG-CE2 4.43Å; P180-W189 HydrophobicContact CB-CE3 4.28Å; P180-W189 HydrophobicContact CB-CH2 4.36Å; P180-W189 HydrophobicContact CB-CZ3 4.02Å; P180-W189 HydrophobicContact CG-CZ3 4.26Å; P180-F202 HydrophobicContact CB-CE1 4.28Å; P180-F202 HydrophobicContact CB-CZ 3.66Å
181V88Confident87.5Confident42 Ų4262.8 Ų62.826%0.25535%0.35SS..EExtended strand (participates in β ladder)trans-115.2128.5178.3-1760000109.1A179 K187 Y188A179-V181 PolarHBondContact O-N 2.76Å; V181-K187 WeakPolarHBondContact O-CA 3.2Å; V181-Y188 HydrophobicContact CB-CD1 4.4Å; V181-Y188 HydrophobicContact CB-CD2 4.21Å; V181-Y188 HydrophobicContact CB-CE1 4.03Å; V181-Y188 HydrophobicContact CB-CE2 3.85Å; V181-Y188 HydrophobicContact CB-CG 4.48Å; V181-Y188 HydrophobicContact CG1-CE1 3.82Å; V181-Y188 HydrophobicContact CG1-CE2 4.11Å; V181-Y188 WeakPolarHBondContact CG1-OH 3.18Å; V181-Y188 HydrophobicContact CG2-CE2 4.16Å; V181-Y188 PolarHBondContact N-O 2.82Å; V181-Y188 PolarHBondContact O-N 3.06Å
182F90.9Very high87.5Confident118 Ų11860.3 Ų60.352%0.51834%0.343SS..EExtended strand (participates in β ladder)trans-121103.6176.8-52.1-72.7000108.3P180 Y186 K187 F199 F202P180-F182 HydrophobicContact CB-CE2 3.99Å; P180-F182 HydrophobicContact CB-CZ 3.95Å; P180-F182 HydrophobicContact CG-CE2 4.43Å; F182-Y186 WeakPolarHBondContact CA-O 3.44Å; F182-K187 HydrophobicContact CD1-CB 3.76Å; F182-K187 HydrophobicContact CD1-CD 3.8Å; F182-K187 HydrophobicContact CD1-CG 3.7Å; F182-K187 HydrophobicContact CE1-CB 3.92Å; F182-K187 HydrophobicContact CE1-CD 3.81Å; F182-K187 HydrophobicContact CE1-CG 4.09Å; F182-F199 HydrophobicContact CE1-CE2 4.4Å; F182-F202 HydrophobicContact CE1-CD1 4.41Å; F182-F202 HydrophobicContact CE1-CE1 4.21Å; F182-F202 HydrophobicContact CZ-CE1 4.19Å
183H86.6Confident87.4Confident110 Ų11059.7 Ų59.751%0.50934%0.342SS..EExtended strand (participates in β ladder)trans-138.8133.5-179.3-160.9-94.2000109.8G185 Y186H183-G185 PolarHBondContact O-N 3.06Å; H183-G185 VanDerWaalsContact O-N 3.12Å; H183-Y186 PolarHBondContact N-O 3.11Å; H183-Y186 PolarHBondContact O-N 2.83Å
184E85.3Confident87.3Confident160 Ų16063.9 Ų63.975%0.74836%0.364SS*.THydrogen-bonded Turntrans52.535.5174.7-69.6165.1-179.500114.8Y186E184-Y186 PolarHBondContact O-N 3.1Å
185G86.4Confident87.2Confident59 Ų5967.5 Ų67.561%0.60837%0.374SS*.THydrogen-bonded Turntrans79.3-3.6-179.200000115H183H183-G185 PolarHBondContact O-N 3.06Å; H183-G185 VanDerWaalsContact O-N 3.12Å
186Y87.5Confident87.1Confident108 Ų10867.2 Ų67.242%0.42438%0.375SS..EExtended strand (participates in β ladder)trans-92142.5169.4-63.2-79000111.3F182 H183 E184 K195 T197F182-Y186 WeakPolarHBondContact CA-O 3.44Å; H183-Y186 PolarHBondContact N-O 3.11Å; H183-Y186 PolarHBondContact O-N 2.83Å; E184-Y186 PolarHBondContact O-N 3.1Å; Y186-K195 HydrophobicContact CD1-CB 3.98Å; Y186-K195 HydrophobicContact CD1-CD 4.47Å; Y186-K195 HydrophobicContact CG-CD 4.49Å; Y186-T197 HydrophobicContact CD1-CG2 3.95Å; Y186-T197 HydrophobicContact CE1-CG2 3.86Å
187K89.3Confident87.2Confident50 Ų5071.9 Ų71.922%0.21740%0.403CS..EExtended strand (participates in β ladder)trans-122.9122.8177.9-42.1-163.7-179.894.10108V181 F182 T196 T197 F199 F202V181-K187 WeakPolarHBondContact O-CA 3.2Å; F182-K187 HydrophobicContact CD1-CB 3.76Å; F182-K187 HydrophobicContact CD1-CD 3.8Å; F182-K187 HydrophobicContact CD1-CG 3.7Å; F182-K187 HydrophobicContact CE1-CB 3.92Å; F182-K187 HydrophobicContact CE1-CD 3.81Å; F182-K187 HydrophobicContact CE1-CG 4.09Å; K187-T196 PolarHBondContact N-O 3.38Å; K187-T196 PolarHBondContact O-N 2.92Å; K187-T196 PolarHBondContact O-OG1 2.68Å; K187-T197 PolarHBondContact NZ-O 2.62Å; K187-F199 HydrophobicContact CD-CB 4.29Å; K187-F199 HydrophobicContact CD-CD2 3.72Å; K187-F202 HydrophobicContact CB-CB 4.11Å; K187-F202 HydrophobicContact CB-CD2 4.05Å; K187-F202 HydrophobicContact CB-CG 4.01Å
188Y90Very high87.4Confident52 Ų5272 Ų7220%0.20440%0.399CS..EExtended strand (participates in β ladder)trans-155.1162.4-178.462.8-84.9000112V181 C193 I194 K195V181-Y188 HydrophobicContact CB-CD1 4.4Å; V181-Y188 HydrophobicContact CB-CD2 4.21Å; V181-Y188 HydrophobicContact CB-CE1 4.03Å; V181-Y188 HydrophobicContact CB-CE2 3.85Å; V181-Y188 HydrophobicContact CB-CG 4.48Å; V181-Y188 HydrophobicContact CG1-CE1 3.82Å; V181-Y188 HydrophobicContact CG1-CE2 4.11Å; V181-Y188 WeakPolarHBondContact CG1-OH 3.18Å; V181-Y188 HydrophobicContact CG2-CE2 4.16Å; V181-Y188 PolarHBondContact N-O 2.82Å; V181-Y188 PolarHBondContact O-N 3.06Å; Y188-C193 HydrophobicContact CD2-CB 4.46Å; Y188-I194 WeakPolarHBondContact CB-O 3.42Å; Y188-K195 HydrophobicContact CD1-CG 4.28Å; Y188-K195 HydrophobicContact CG-CG 4.48Å
189W88.9Confident87.5Confident18 Ų1875.9 Ų75.97%0.06841%0.412CS..EExtended strand (participates in β ladder)trans-90.3133.3171.5-6399.4000110.3T157 H176 P180 C191 C192 C193 F202 Q205T157-W189 HydrophobicContact CG2-CH2 3.92Å; T157-W189 HydrophobicContact CG2-CZ3 3.95Å; H176-W189 HydrophobicContact CB-CB 4.39Å; H176-W189 HydrophobicContact CB-CD2 3.85Å; H176-W189 HydrophobicContact CB-CE3 3.96Å; H176-W189 HydrophobicContact CB-CG 4.03Å; H176-W189 AromaticContact CD2-CD1 3.48Å; H176-W189 VanDerWaalsContact CD2-CD1 3.48Å; H176-W189 AromaticContact CD2-CD2 3.92Å; H176-W189 AromaticContact CD2-CE2 3.71Å; H176-W189 AromaticContact CD2-CG 3.82Å; H176-W189 AromaticContact CD2-NE1 3.42Å; H176-W189 PolarHBondContact CD2-NE1 2.92Å; H176-W189 AromaticContact CE1-CD1 3.77Å; H176-W189 AromaticContact CG-CD1 3.75Å; H176-W189 AromaticContact CG-CD2 3.86Å; H176-W189 AromaticContact CG-CG 3.65Å; H176-W189 AromaticContact ND1-CD1 3.92Å; H176-W189 AromaticContact ND1-CG 3.91Å; H176-W189 AromaticContact NE2-CD1 3.5Å; H176-W189 AromaticContact NE2-NE1 3.69Å; P180-W189 HydrophobicContact CB-CE3 4.28Å; P180-W189 HydrophobicContact CB-CH2 4.36Å; P180-W189 HydrophobicContact CB-CZ3 4.02Å; P180-W189 HydrophobicContact CG-CZ3 4.26Å; W189-C191 PolarHBondContact O-N 2.98Å; W189-C192 PolarHBondContact O-N 2.86Å; W189-C192 VanDerWaalsContact O-N 3.17Å; W189-C193 WeakPolarHBondContact O-CA 3.47Å; W189-C193 PolarHBondContact O-N 2.81Å; W189-F202 AromaticContact CD1-CE2 3.63Å; W189-F202 AromaticContact CD2-CE2 3.93Å; W189-F202 HydrophobicContact CD2-CE2 3.93Å; W189-F202 AromaticContact CD2-CZ 3.89Å; W189-F202 HydrophobicContact CD2-CZ 3.89Å; W189-F202 AromaticContact CE2-CE2 3.56Å; W189-F202 AromaticContact CE2-CZ 3.37Å; W189-F202 HydrophobicContact CE3-CZ 4.43Å; W189-F202 AromaticContact CG-CE2 3.96Å; W189-F202 HydrophobicContact CG-CE2 3.96Å; W189-F202 HydrophobicContact CG-CZ 4.42Å; W189-F202 HydrophobicContact CH2-CZ 4.08Å; W189-F202 HydrophobicContact CZ2-CE1 4.01Å; W189-F202 HydrophobicContact CZ2-CE2 4.13Å; W189-F202 AromaticContact CZ2-CZ 3.47Å; W189-F202 HydrophobicContact CZ2-CZ 3.47Å; W189-F202 VanDerWaalsContact CZ2-CZ 3.47Å; W189-F202 AromaticContact NE1-CD2 3.98Å; W189-F202 AromaticContact NE1-CE2 3.33Å; W189-F202 VanDerWaalsContact NE1-CE2 3.33Å; W189-F202 AromaticContact NE1-CZ 3.63Å; W189-Q205 VanDerWaalsContact CD1-OE1 3.25Å
190S89.1Confident87.6Confident60 Ų6078 Ų7842%0.4242%0.416SS..THydrogen-bonded Turntrans-60-22-179.965.20000114.3G178 A179G178-S190 VanDerWaalsContact CA-OG 3.28Å; G178-S190 WeakPolarHBondContact CA-OG 3.48Å; A179-S190 PolarHBondContact N-OG 2.83Å; A179-S190 PolarHBondContact O-N 2.8Å
191C86.6Confident87.5Confident45 Ų4577.1 Ų77.130%0.30441%0.413SS..THydrogen-bonded Turntrans-74.8-30.9179.653.30000114.1H176 P177 W189 C208H176-C191 PolarHBondContact ND1-SG 3.3Å; H176-C191 VanDerWaalsContact ND1-SG 3.38Å; P177-C191 HydrophobicContact CG-CB 3.81Å; W189-C191 PolarHBondContact O-N 2.98Å; C191-C208 PolarHBondContact SG-SG 3.07Å
192C83.4Confident87.5Confident47 Ų4775.4 Ų75.432%0.31840%0.402SS..THydrogen-bonded Turntrans-135.2-5.2-167.2-69.50000113.5W189 I194 C208W189-C192 PolarHBondContact O-N 2.86Å; W189-C192 VanDerWaalsContact O-N 3.17Å; C192-I194 HydrophobicContact CB-CG1 4.44Å; C192-I194 WeakPolarHBondContact O-CG1 3.21Å; C192-I194 PolarHBondContact O-N 2.95Å; C192-C208 HydrophobicContact CB-CB 3.81Å; C192-C208 WeakPolarHBondContact CB-SG 3.46Å; C192-C208 WeakPolarHBondContact SG-CB 3.41Å; C192-C208 CovalentContact SG-SG 2Å; C192-C208 PolarHBondContact SG-SG 2.84Å
193C82.4Confident87.2Confident73 Ų7373.7 Ų73.749%0.49340%0.398SS..  trans51.325.4166.7-62.40000115.4Y188 W189 K195Y188-C193 HydrophobicContact CD2-CB 4.46Å; W189-C193 WeakPolarHBondContact O-CA 3.47Å; W189-C193 PolarHBondContact O-N 2.81Å; C193-K195 PolarHBondContact O-N 3.06Å
194I86.2Confident87.3Confident89 Ų8973.3 Ų73.346%0.45640%0.4SS..  trans-74.999.4177-53.3178.5000108Y188 C192 T196 Q205Y188-I194 WeakPolarHBondContact CB-O 3.42Å; C192-I194 HydrophobicContact CB-CG1 4.44Å; C192-I194 WeakPolarHBondContact O-CG1 3.21Å; C192-I194 PolarHBondContact O-N 2.95Å; I194-T196 PolarHBondContact O-N 3.42Å; I194-Q205 PolarHBondContact O-NE2 3.3Å
195K88.3Confident87.2Confident139 Ų13966.6 Ų66.660%0.60437%0.368SS*.  trans-72.9124-178.1-64.4-177-176.9-179.90110.9Y186 Y188 C193Y186-K195 HydrophobicContact CD1-CB 3.98Å; Y186-K195 HydrophobicContact CD1-CD 4.47Å; Y186-K195 HydrophobicContact CG-CD 4.49Å; Y188-K195 HydrophobicContact CD1-CG 4.28Å; Y188-K195 HydrophobicContact CG-CG 4.48Å; C193-K195 PolarHBondContact O-N 3.06Å
196T88Confident87.2Confident26 Ų2672.4 Ų72.416%0.1638%0.377CS..BIsolated β-bridgetrans-129.3142.9172.146.90000110.2K187 I194 A201 F202 Q205K187-T196 PolarHBondContact N-O 3.38Å; K187-T196 PolarHBondContact O-N 2.92Å; K187-T196 PolarHBondContact O-OG1 2.68Å; I194-T196 PolarHBondContact O-N 3.42Å; T196-A201 HydrophobicContact CG2-CB 4.18Å; T196-F202 WeakPolarHBondContact OG1-CB 3.27Å; T196-Q205 PolarHBondContact OG1-NE2 2.94Å; T196-Q205 VanDerWaalsContact OG1-NE2 3.15Å
197T88.4Confident87.2Confident98 Ų9867.9 Ų67.960%0.60136%0.363SS*.SBendtrans-89.5-35.2174.347.70000111.1Y186 K187Y186-T197 HydrophobicContact CD1-CG2 3.95Å; Y186-T197 HydrophobicContact CE1-CG2 3.86Å; K187-T197 PolarHBondContact NZ-O 2.62Å
198D89.3Confident87.1Confident85 Ų8568.1 Ų68.146%0.45537%0.37SS..SBendtrans-78.2139.2176.5-17938.4000113N200 A201 F202D198-N200 PolarHBondContact OD2-N 2.9Å; D198-A201 HydrophobicContact CB-CB 3.92Å; D198-A201 PolarHBondContact OD2-N 3.26Å; D198-A201 VanDerWaalsContact OD2-N 3.08Å; D198-F202 PolarHBondContact O-N 2.84Å
199F86.5Confident87Confident95 Ų9568.4 Ų68.442%0.41738%0.378SS..Hα-helixtrans-76.2-36.3-178.2-172.7-105.2000112.9F182 K187 F202 L203F182-F199 HydrophobicContact CE1-CE2 4.4Å; K187-F199 HydrophobicContact CD-CB 4.29Å; K187-F199 HydrophobicContact CD-CD2 3.72Å; F199-F202 HydrophobicContact CE2-CD1 4.42Å; F199-F202 WeakPolarHBondContact O-CB 3.49Å; F199-F202 PolarHBondContact O-N 2.92Å; F199-L203 HydrophobicContact CD1-CD1 3.97Å; F199-L203 HydrophobicContact CD1-CG 4.42Å; F199-L203 HydrophobicContact CE1-CD1 3.5Å; F199-L203 VanDerWaalsContact CE1-CD1 3.5Å; F199-L203 HydrophobicContact CE1-CG 4.07Å; F199-L203 HydrophobicContact CZ-CD1 4.09Å; F199-L203 HydrophobicContact CZ-CD2 4.41Å; F199-L203 HydrophobicContact CZ-CG 4.29Å; F199-L203 PolarHBondContact O-N 3.16Å; F199-L203 VanDerWaalsContact O-N 3.1Å
200N89.2Confident86.9Confident104 Ų10474.2 Ų74.256%0.55641%0.407SS*.Hα-helixtrans-69.5-42.1176.8-75.7-29000110.7D198 F202 L203 D204D198-N200 PolarHBondContact OD2-N 2.9Å; N200-F202 PolarHBondContact O-N 2.74Å; N200-L203 PolarHBondContact O-N 3.14Å; N200-D204 WeakPolarHBondContact O-CB 3.48Å; N200-D204 PolarHBondContact O-N 3.49Å
201A86.8Confident86.8Confident42 Ų4272.7 Ų72.735%0.34740%0.401SS..Hα-helixtrans-56.1-36.9171.500000112.9T196 D198 Q205T196-A201 HydrophobicContact CG2-CB 4.18Å; D198-A201 HydrophobicContact CB-CB 3.92Å; D198-A201 PolarHBondContact OD2-N 3.26Å; D198-A201 VanDerWaalsContact OD2-N 3.08Å; A201-Q205 VanDerWaalsContact O-CG 3.24Å; A201-Q205 WeakPolarHBondContact O-CG 3.44Å; A201-Q205 PolarHBondContact O-N 2.99Å
202F88.6Confident86.8Confident6 Ų678.7 Ų78.73%0.02642%0.422CS..Hα-helixtrans-65.9-45.6174.8169.3-103.2000113.2P180 F182 K187 W189 T196 D198 F199 N200 D204 Q205P180-F202 HydrophobicContact CB-CE1 4.28Å; P180-F202 HydrophobicContact CB-CZ 3.66Å; F182-F202 HydrophobicContact CE1-CD1 4.41Å; F182-F202 HydrophobicContact CE1-CE1 4.21Å; F182-F202 HydrophobicContact CZ-CE1 4.19Å; K187-F202 HydrophobicContact CB-CB 4.11Å; K187-F202 HydrophobicContact CB-CD2 4.05Å; K187-F202 HydrophobicContact CB-CG 4.01Å; W189-F202 AromaticContact CD1-CE2 3.63Å; W189-F202 AromaticContact CD2-CE2 3.93Å; W189-F202 HydrophobicContact CD2-CE2 3.93Å; W189-F202 AromaticContact CD2-CZ 3.89Å; W189-F202 HydrophobicContact CD2-CZ 3.89Å; W189-F202 AromaticContact CE2-CE2 3.56Å; W189-F202 AromaticContact CE2-CZ 3.37Å; W189-F202 HydrophobicContact CE3-CZ 4.43Å; W189-F202 AromaticContact CG-CE2 3.96Å; W189-F202 HydrophobicContact CG-CE2 3.96Å; W189-F202 HydrophobicContact CG-CZ 4.42Å; W189-F202 HydrophobicContact CH2-CZ 4.08Å; W189-F202 HydrophobicContact CZ2-CE1 4.01Å; W189-F202 HydrophobicContact CZ2-CE2 4.13Å; W189-F202 AromaticContact CZ2-CZ 3.47Å; W189-F202 HydrophobicContact CZ2-CZ 3.47Å; W189-F202 VanDerWaalsContact CZ2-CZ 3.47Å; W189-F202 AromaticContact NE1-CD2 3.98Å; W189-F202 AromaticContact NE1-CE2 3.33Å; W189-F202 VanDerWaalsContact NE1-CE2 3.33Å; W189-F202 AromaticContact NE1-CZ 3.63Å; T196-F202 WeakPolarHBondContact OG1-CB 3.27Å; D198-F202 PolarHBondContact O-N 2.84Å; F199-F202 HydrophobicContact CE2-CD1 4.42Å; F199-F202 WeakPolarHBondContact O-CB 3.49Å; F199-F202 PolarHBondContact O-N 2.92Å; N200-F202 PolarHBondContact O-N 2.74Å; F202-D204 VanDerWaalsContact C-N 3.28Å; F202-D204 PolarHBondContact O-N 3.08Å; F202-Q205 WeakPolarHBondContact O-CB 3.36Å; F202-Q205 WeakPolarHBondContact O-CG 3.49Å; F202-Q205 PolarHBondContact O-N 3.12Å
203L85.3Confident86.7Confident81 Ų8177 Ų7742%0.42441%0.41SS..Hα-helixtrans-68.6-26.5178.6-70.5178.5000113.3F199 N200F199-L203 HydrophobicContact CD1-CD1 3.97Å; F199-L203 HydrophobicContact CD1-CG 4.42Å; F199-L203 HydrophobicContact CE1-CD1 3.5Å; F199-L203 VanDerWaalsContact CE1-CD1 3.5Å; F199-L203 HydrophobicContact CE1-CG 4.07Å; F199-L203 HydrophobicContact CZ-CD1 4.09Å; F199-L203 HydrophobicContact CZ-CD2 4.41Å; F199-L203 HydrophobicContact CZ-CG 4.29Å; F199-L203 PolarHBondContact O-N 3.16Å; F199-L203 VanDerWaalsContact O-N 3.1Å; N200-L203 PolarHBondContact O-N 3.14Å
204D87.1Confident86.7Confident102 Ų10278.7 Ų78.755%0.54541%0.405SS..THydrogen-bonded Turntrans-87.3-3.6178.7-75.9-17.2000113.9K160 N200 F202 K206K160-D204 IonicContact NZ-OD1 2.59Å; K160-D204 PolarHBondContact NZ-OD1 3.34Å; N200-D204 WeakPolarHBondContact O-CB 3.48Å; N200-D204 PolarHBondContact O-N 3.49Å; F202-D204 VanDerWaalsContact C-N 3.28Å; F202-D204 PolarHBondContact O-N 3.08Å; D204-K206 PolarHBondContact O-N 2.88Å
205Q84.5Confident86.7Confident19 Ų1975.4 Ų75.49%0.08939%0.387CS..PPolyproline II helixtrans-59.2128.1174.6-63.7-173.3-1.700110.4W189 I194 T196 A201 F202W189-Q205 VanDerWaalsContact CD1-OE1 3.25Å; I194-Q205 PolarHBondContact O-NE2 3.3Å; T196-Q205 PolarHBondContact OG1-NE2 2.94Å; T196-Q205 VanDerWaalsContact OG1-NE2 3.15Å; A201-Q205 VanDerWaalsContact O-CG 3.24Å; A201-Q205 WeakPolarHBondContact O-CG 3.44Å; A201-Q205 PolarHBondContact O-N 2.99Å; F202-Q205 WeakPolarHBondContact O-CB 3.36Å; F202-Q205 WeakPolarHBondContact O-CG 3.49Å; F202-Q205 PolarHBondContact O-N 3.12Å
206K86.5Confident86.1Confident182 Ų18272.1 Ų72.179%0.79138%0.379SS*.PPolyproline II helixtrans-71.5136.8177.5-66.1-174.4-179.3-179.50109.9H176 D204H176-K206 PolarHBondContact CE1-O 2.86Å; H176-K206 PolarHBondContact NE2-O 2.74Å; D204-K206 PolarHBondContact O-N 2.88Å
207G86.5Confident85.3Confident13 Ų1373.7 Ų73.713%0.13440%0.395CS..PPolyproline II helixtrans-51.8139.5173.300000112.2H175H175-G207 VanDerWaalsContact C-CA 3.41Å; H175-G207 CarbonylContact O-C 3.55Å
208C87Confident84.2Confident54 Ų5475.4 Ų75.437%0.36539%0.394SS..SBendtrans-103.4-0.9-174.656.80000114.5H175 H176 C191 C192H175-C208 PolarHBondContact O-N 2.8Å; H175-C208 VanDerWaalsContact O-N 3.13Å; H176-C208 PolarHBondContact ND1-SG 2.83Å; C191-C208 PolarHBondContact SG-SG 3.07Å; C192-C208 HydrophobicContact CB-CB 3.81Å; C192-C208 WeakPolarHBondContact CB-SG 3.46Å; C192-C208 WeakPolarHBondContact SG-CB 3.41Å; C192-C208 CovalentContact SG-SG 2Å; C192-C208 PolarHBondContact SG-SG 2.84Å
209T88.5Confident82.8Confident59 Ų5977 Ų7736%0.36240%0.398SS..EExtended strand (participates in β ladder)trans-122.3140.1172.9-51.70000109.8T174 H175 P177T174-T209 CarbonylContact C-O 3.51Å; T174-T209 WeakPolarHBondContact CA-O 3.31Å; H175-T209 PolarHBondContact N-O 2.86Å; H175-T209 PolarHBondContact O-N 2.75Å; P177-T209 VanDerWaalsContact CD-OG1 3.27Å; P177-T209 WeakPolarHBondContact CD-OG1 3.37Å; P177-T209 WeakPolarHBondContact CG-OG1 3.46Å
210M87.9Confident81.5Confident140 Ų14077.4 Ų77.469%0.6941%0.405SS*.EExtended strand (participates in β ladder)trans-96.9129.6175.9-69.7174.39600109.3V172 C173 T174V172-M210 HydrophobicContact CB-CE 4.2Å; V172-M210 HydrophobicContact CG1-CB 3.59Å; V172-M210 HydrophobicContact CG1-CE 3.59Å; V172-M210 HydrophobicContact CG1-CG 3.91Å; V172-M210 HydrophobicContact CG1-SD 4.47Å; C173-M210 CarbonylContact O-C 3.56Å; C173-M210 WeakPolarHBondContact O-CA 3.35Å; T174-M210 HydrophobicContact CG2-CG 4.22Å
211G85.4Confident80.4Confident28 Ų2879 Ų7929%0.28941%0.407SS..EExtended strand (participates in β ladder)trans-154.8-164.2-177.800000112.1C173C173-G211 VanDerWaalsContact CB-O 3.31Å; C173-G211 WeakPolarHBondContact CB-O 3.47Å; C173-G211 PolarHBondContact N-O 2.97Å; C173-G211 PolarHBondContact O-N 2.77Å
212K87.1Confident79.8Confident171 Ų17184 Ų8474%0.74342%0.421SS*.  trans-89.4147.9174-65.3-173.4178-171.70110.9N156 C173N156-K212 PolarHBondContact ND2-O 2.76Å; C173-K212 VanDerWaalsContact CB-C 3.47Å
213H82.3Confident79.3Confident12 Ų1292.6 Ų92.66%0.05646%0.458CS..  trans-62146.1172-72.5-74.4000110.4C159 T161 T168 E171 C173 W215C159-H213 PolarHBondContact SG-CE1 3.3Å; T161-H213 PolarHBondContact OG1-CE1 3.23Å; T168-H213 PolarHBondContact O-CD2 3.2Å; E171-H213 PolarHBondContact O-CD2 3.5Å; E171-H213 VanDerWaalsContact O-CD2 3.27Å; C173-H213 VanDerWaalsContact CA-CE1 3.46Å; C173-H213 WeakPolarHBondContact CA-CE1 3.38Å; C173-H213 WeakPolarHBondContact CA-NE2 3.01Å; C173-H213 HydrophobicContact CB-CB 4.38Å; C173-H213 VanDerWaalsContact CB-CE1 3.43Å; C173-H213 WeakPolarHBondContact CB-CE1 3.32Å; C173-H213 PolarHBondContact N-NE2 2.99Å; H213-W215 HydrophobicContact CB-CD2 4.28Å; H213-W215 VanDerWaalsContact CB-CE2 3.46Å; H213-W215 HydrophobicContact CB-CH2 3.92Å; H213-W215 HydrophobicContact CB-CZ2 3.26Å; H213-W215 AromaticContact CG-CH2 3.86Å; H213-W215 AromaticContact CG-CZ2 3.56Å; H213-W215 AromaticContact ND1-CH2 3.96Å
214R82.1Confident79.3Confident107 Ų10791.4 Ų91.440%0.40445%0.454SS..  trans-124.8113.2173.6173.3175-107.2156.7-0.3108K155 N156 V216K155-R214 WeakPolarHBondContact CB-O 3.3Å; K155-R214 PolarHBondContact N-O 3.44Å; N156-R214 WeakPolarHBondContact OD1-CB 3.02Å; R214-V216 VanDerWaalsContact CD-O 3.29Å; R214-V216 WeakPolarHBondContact CD-O 3.26Å; R214-V216 WeakPolarHBondContact CG-O 3.42Å
215W84.8Confident79.1Confident21 Ų2191.1 Ų91.18%0.0847%0.466CS..  trans-91.8-24.3-176.6-49.7110.4000112.4V148 T152 C154 K155 Y163 D169 H213V148-W215 HydrophobicContact CG1-CB 3.78Å; V148-W215 HydrophobicContact CG1-CG 4.19Å; V148-W215 HydrophobicContact CG2-CB 4.08Å; T152-W215 HydrophobicContact CG2-CB 4.38Å; T152-W215 WeakPolarHBondContact O-CZ3 3.37Å; C154-W215 HydrophobicContact CB-CE3 4.27Å; C154-W215 HydrophobicContact CB-CH2 4.48Å; C154-W215 HydrophobicContact CB-CZ3 3.88Å; K155-W215 WeakPolarHBondContact CG-O 3.44Å; Y163-W215 AromaticContact CD2-CD2 3.91Å; Y163-W215 HydrophobicContact CD2-CD2 3.91Å; Y163-W215 AromaticContact CD2-CE2 3.52Å; Y163-W215 HydrophobicContact CD2-CE3 4.46Å; Y163-W215 HydrophobicContact CD2-CG 4.3Å; Y163-W215 HydrophobicContact CD2-CH2 4.28Å; Y163-W215 AromaticContact CD2-CZ2 3.72Å; Y163-W215 HydrophobicContact CD2-CZ2 3.72Å; Y163-W215 AromaticContact CD2-NE1 3.75Å; Y163-W215 HydrophobicContact CG-CD2 4.26Å; Y163-W215 HydrophobicContact CG-CE3 4.47Å; Y163-W215 HydrophobicContact CG-CZ2 4.49Å; D169-W215 PolarHBondContact OD1-NE1 3.12Å; H213-W215 HydrophobicContact CB-CD2 4.28Å; H213-W215 VanDerWaalsContact CB-CE2 3.46Å; H213-W215 HydrophobicContact CB-CH2 3.92Å; H213-W215 HydrophobicContact CB-CZ2 3.26Å; H213-W215 AromaticContact CG-CH2 3.86Å; H213-W215 AromaticContact CG-CZ2 3.56Å; H213-W215 AromaticContact ND1-CH2 3.96Å
216V76.6Confident79.2Confident69 Ų6990.9 Ų90.942%0.41847%0.466SS..SBendtrans-100.5136178.9-171.10000110.3R214 K218R214-V216 VanDerWaalsContact CD-O 3.29Å; R214-V216 WeakPolarHBondContact CD-O 3.26Å; R214-V216 WeakPolarHBondContact CG-O 3.42Å; V216-K218 PolarHBondContact O-N 3.08Å
217A70.9Confident79.4Confident60 Ų6091 Ų9150%0.49646%0.462SS..PPolyproline II helixtrans-60.9135.5177.200000110.4Q219A217-Q219 PolarHBondContact O-N 2.86Å; A217-Q219 VanDerWaalsContact O-N 3.15Å
218K66.2Low79.8Confident133 Ų13393.2 Ų93.258%0.57847%0.468SS*.PPolyproline II helixtrans-63.1119.1171.8-156.4-178.4-172.6-176.20107.2V216 D220V216-K218 PolarHBondContact O-N 3.08Å; K218-D220 PolarHBondContact O-N 3.34Å
219Q59.7Low80Confident118 Ų11894.2 Ų94.255%0.55147%0.47SS*.  trans-7290.9167.6-69.3-168.70.300107.3A217 K221 N269A217-Q219 PolarHBondContact O-N 2.86Å; A217-Q219 VanDerWaalsContact O-N 3.15Å; Q219-K221 PolarHBondContact O-N 2.86Å; Q219-N269 PolarHBondContact OE1-ND2 3.18Å
220D57.8Low80.3Confident104 Ų10495 Ų9556%0.55647%0.467SS*.  trans-63.3125.7175.1-71.2-45.8000109.1K218 K222K218-D220 PolarHBondContact O-N 3.34Å; D220-K222 PolarHBondContact O-N 2.82Å
221K67.1Low80.5Confident139 Ų13993 Ų9360%0.60446%0.455SS*.  trans-64.484.5174.1-71172.7173.2-170.90108.9Q219 K223 N269 I271Q219-K221 PolarHBondContact O-N 2.86Å; K221-K223 PolarHBondContact O-N 3.22Å; K221-N269 WeakPolarHBondContact CA-O 3.14Å; K221-N269 HydrophobicContact CG-CB 4.48Å; K221-I271 HydrophobicContact CB-CD1 3.88Å; K221-I271 HydrophobicContact CB-CG1 4.43Å; K221-I271 HydrophobicContact CD-CD1 3.78Å; K221-I271 HydrophobicContact CG-CD1 3.98Å
222K74.1Confident80.8Confident145 Ų14595 Ų9563%0.6346%0.457SS*.  trans-71.4122.8177.4-71-177.2-178.2-178.30108.6D220 V224 I271D220-K222 PolarHBondContact O-N 2.82Å; K222-V224 HydrophobicContact CB-CG2 4.19Å; K222-V224 PolarHBondContact O-N 3.08Å; K222-I271 PolarHBondContact O-N 2.74Å
223K78.5Confident80.9Confident188 Ų18890.9 Ų90.982%0.81745%0.446SS*.BIsolated β-bridgetrans-69.5120.5165.9-69.8-177.5-177.5177.40107.6K221 I271K221-K223 PolarHBondContact O-N 3.22Å; K223-I271 VanDerWaalsContact CA-O 3.3Å; K223-I271 WeakPolarHBondContact CA-O 3.46Å
224V84.3Confident81Confident56 Ų5693.1 Ų93.134%0.33947%0.467SS..  trans-125.5133.3-178.3-1790000108.4K222 F266 K270 I271 F272K222-V224 HydrophobicContact CB-CG2 4.19Å; K222-V224 PolarHBondContact O-N 3.08Å; V224-F266 HydrophobicContact CB-CZ 4.1Å; V224-F266 HydrophobicContact CG1-CZ 4.22Å; V224-K270 HydrophobicContact CG2-CB 4.18Å; V224-K270 HydrophobicContact CG2-CD 4.24Å; V224-K270 HydrophobicContact CG2-CG 4.08Å; V224-I271 PolarHBondContact N-O 3.27Å; V224-F272 WeakPolarHBondContact O-CD2 3.45Å
225A83.2Confident81.3Confident95 Ų9590.7 Ų90.779%0.78546%0.462SS*.PPolyproline II helixtrans-76126.4172.100000110.2
226C87.2Confident81.6Confident15 Ų1590.9 Ų90.910%0.10147%0.466CS..PPolyproline II helixtrans-96.6144.6175.1-690000111.1H228 I241 F266 F272C226-H228 PolarHBondContact O-ND1 3.39Å; C226-I241 HydrophobicContact CB-CG2 3.9Å; C226-F266 WeakPolarHBondContact SG-CE1 3.49Å; C226-F266 WeakPolarHBondContact SG-CZ 3.5Å; C226-F272 HydrophobicContact CB-CB 4.49Å; C226-F272 HydrophobicContact CB-CD1 4.36Å; C226-F272 HydrophobicContact CB-CD2 3.56Å; C226-F272 HydrophobicContact CB-CE1 4.48Å; C226-F272 HydrophobicContact CB-CE2 3.7Å; C226-F272 HydrophobicContact CB-CG 3.89Å; C226-F272 HydrophobicContact CB-CZ 4.15Å
227R91.2Very high82.4Confident185 Ų18587.6 Ų87.670%0.69845%0.446SS*.PPolyproline II helixtrans-63138164.2179.7177.5175.1161.6-0.9108.8Y242R227-Y242 HydrophobicContact CB-CD2 4.32Å; R227-Y242 HydrophobicContact CG-CD2 4Å; R227-Y242 PolarHBondContact O-N 3.38Å
228H93Very high83.6Confident58 Ų5885.4 Ų85.427%0.26943%0.426SS..EExtended strand (participates in β ladder)trans-135.1155.4172.856.7-81.4000109.8C226 T240 I241 R274 F276C226-H228 PolarHBondContact O-ND1 3.39Å; H228-T240 CarbonylContact C-O 3.52Å; H228-T240 WeakPolarHBondContact CA-O 3.14Å; H228-T240 WeakPolarHBondContact CB-O 3.36Å; H228-I241 HydrophobicContact CB-CG1 4.22Å; H228-R274 VanDerWaalsContact CE1-CZ 3.48Å; H228-F276 AromaticContact CD2-CE1 3.73Å; H228-F276 AromaticContact NE2-CE1 3.88Å
229D93.2Very high84.9Confident75 Ų7579 Ų7940%0.40140%0.398SS..EExtended strand (participates in β ladder)trans-139.9159.4177.3-161.2-9.9000108.4T240 Y242D229-T240 PolarHBondContact N-O 3.27Å; D229-T240 PolarHBondContact O-N 3.46Å; D229-Y242 HydrophobicContact CB-CE2 3.97Å
230W94Very high86.6Confident77 Ų7773.7 Ų73.729%0.29237%0.374SS..EExtended strand (participates in β ladder)trans-141.3144.8177.474.1-75.4000110.8Q232 V237 V238 V239 W308 L311W230-Q232 HydrophobicContact CZ3-CB 4.34Å; W230-Q232 HydrophobicContact CZ3-CG 4.41Å; W230-V237 HydrophobicContact CE3-CG1 4.25Å; W230-V238 VanDerWaalsContact CA-O 3.28Å; W230-V238 WeakPolarHBondContact CA-O 3.28Å; W230-V239 HydrophobicContact CB-CG2 4.44Å; W230-W308 HydrophobicContact CZ3-CB 4.46Å; W230-L311 HydrophobicContact CB-CD1 4.31Å; W230-L311 HydrophobicContact CB-CD2 3.88Å; W230-L311 HydrophobicContact CD2-CB 3.69Å; W230-L311 HydrophobicContact CD2-CD1 4.09Å; W230-L311 HydrophobicContact CD2-CD2 4.41Å; W230-L311 HydrophobicContact CD2-CG 4.28Å; W230-L311 HydrophobicContact CE3-CB 4.14Å; W230-L311 HydrophobicContact CE3-CD1 3.96Å; W230-L311 HydrophobicContact CG-CB 3.94Å; W230-L311 HydrophobicContact CG-CD1 4.23Å; W230-L311 HydrophobicContact CG-CD2 3.84Å; W230-L311 HydrophobicContact CG-CG 4.23Å; W230-L311 HydrophobicContact CZ2-CB 4.16Å
231H92.4Very high88.3Confident98 Ų9868.8 Ų68.845%0.45435%0.347SS..EExtended strand (participates in β ladder)trans-138.6163.7170.764.591.1000109.5V238H231-V238 VanDerWaalsContact CE1-CB 3.46Å; H231-V238 WeakPolarHBondContact CE1-CB 3.32Å; H231-V238 PolarHBondContact N-O 2.89Å; H231-V238 WeakPolarHBondContact NE2-CB 3.19Å; H231-V238 PolarHBondContact O-N 3.36Å
232Q91.4Very high89.5Confident68 Ų6866.9 Ų66.932%0.31834%0.337SS..EExtended strand (participates in β ladder)trans-131.7150.5-17965.9178.8-37.500111.7W230 T236 V237 W308W230-Q232 HydrophobicContact CZ3-CB 4.34Å; W230-Q232 HydrophobicContact CZ3-CG 4.41Å; Q232-T236 WeakPolarHBondContact CA-O 3.42Å; Q232-V237 HydrophobicContact CB-CG2 4.39Å; Q232-W308 PolarHBondContact NE2-O 2.82Å
233T89.3Confident90.3Very high85 Ų8560 Ų6052%0.52131%0.307SS..  trans-113-179.3164.9-48.10000107.6N235 T236 K302T233-N235 VanDerWaalsContact C-N 3.27Å; T233-N235 PolarHBondContact O-N 3.47Å; T233-T236 PolarHBondContact N-O 3.46Å; T233-K302 PolarHBondContact O-NZ 3.48Å
234A83.5Confident90.8Very high59 Ų5957.2 Ų57.249%0.48830%0.295SS..SBendtrans-52.8-44.1178.300000112.5Q305A234-Q305 HydrophobicContact CB-CG 4.46Å
235N88.8Confident90.8Very high57 Ų5756.1 Ų56.131%0.30529%0.287SS..SBendtrans-116-6-171.4-68.14.6000114.6T233 K302 Q305T233-N235 VanDerWaalsContact C-N 3.27Å; T233-N235 PolarHBondContact O-N 3.47Å; N235-K302 WeakPolarHBondContact O-CB 3.22Å; N235-K302 PolarHBondContact O-N 3.5Å; N235-Q305 WeakPolarHBondContact OD1-CG 3.46Å; N235-Q305 PolarHBondContact OD1-NE2 2.84Å
236T92.1Very high91Very high25 Ų2551.6 Ų51.615%0.15325%0.25CC..EExtended strand (participates in β ladder)trans-134.8148.7-173.851.50000110.4Q232 T233 T299 L300Q232-T236 WeakPolarHBondContact CA-O 3.42Å; T233-T236 PolarHBondContact N-O 3.46Å; T236-T299 HydrophobicContact CG2-CG2 4.4Å; T236-L300 CarbonylContact C-O 3.59Å; T236-L300 VanDerWaalsContact CA-O 3.24Å; T236-L300 WeakPolarHBondContact CA-O 3.22Å
237V93.6Very high90.9Very high0 Ų051.5 Ų51.50%025%0.248CC..EExtended strand (participates in β ladder)trans-115.4134.1168.1178.90000106.4W230 Q232 V239 L300 K302 W308 L311W230-V237 HydrophobicContact CE3-CG1 4.25Å; Q232-V237 HydrophobicContact CB-CG2 4.39Å; V237-V239 HydrophobicContact CG1-CG2 4.41Å; V237-L300 HydrophobicContact CB-CB 4.44Å; V237-L300 PolarHBondContact N-O 2.96Å; V237-L300 WeakPolarHBondContact O-CA 3.11Å; V237-L300 PolarHBondContact O-N 3.4Å; V237-K302 HydrophobicContact CG2-CD 4.12Å; V237-K302 HydrophobicContact CG2-CG 3.83Å; V237-W308 HydrophobicContact CG1-CZ3 4.5Å; V237-W308 HydrophobicContact CG2-CD2 3.99Å; V237-W308 HydrophobicContact CG2-CE3 3.89Å; V237-W308 HydrophobicContact CG2-CH2 4.17Å; V237-W308 HydrophobicContact CG2-CZ2 4.26Å; V237-W308 HydrophobicContact CG2-CZ3 3.98Å; V237-L311 HydrophobicContact CG1-CD1 3.72Å
238V94.3Very high90.6Very high13 Ų1343.5 Ų43.58%0.07922%0.221CC..EExtended strand (participates in β ladder)trans-117.5120.8177.3-177.30000108W230 H231 E297 I298 T299W230-V238 VanDerWaalsContact CA-O 3.28Å; W230-V238 WeakPolarHBondContact CA-O 3.28Å; H231-V238 VanDerWaalsContact CE1-CB 3.46Å; H231-V238 WeakPolarHBondContact CE1-CB 3.32Å; H231-V238 PolarHBondContact N-O 2.89Å; H231-V238 WeakPolarHBondContact NE2-CB 3.19Å; H231-V238 PolarHBondContact O-N 3.36Å; V238-E297 HydrophobicContact CG1-CB 4.5Å; V238-I298 CarbonylContact C-O 3.58Å; V238-I298 VanDerWaalsContact CA-O 3.31Å; V238-I298 WeakPolarHBondContact CA-O 3.43Å; V238-T299 HydrophobicContact CG2-CG2 4.3Å
239V94.9Very high90.1Very high0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-104119.9174.6-178.80000107.8W230 V237 F276 I298 L300 L311W230-V239 HydrophobicContact CB-CG2 4.44Å; V237-V239 HydrophobicContact CG1-CG2 4.41Å; V239-F276 HydrophobicContact CG1-CZ 4.45Å; V239-I298 HydrophobicContact CB-CB 4.35Å; V239-I298 PolarHBondContact N-O 3.31Å; V239-I298 PolarHBondContact O-N 2.95Å; V239-L300 HydrophobicContact CG2-CD1 4.14Å; V239-L311 HydrophobicContact CG2-CD1 4.13Å; V239-L311 HydrophobicContact CG2-CD2 4.15Å
240T94.6Very high89.6Confident6 Ų648.1 Ų48.14%0.03724%0.243CC..EExtended strand (participates in β ladder)trans-105.7122.3-179.6-63.10000109.8H228 D229 Y242 K295 E297H228-T240 CarbonylContact C-O 3.52Å; H228-T240 WeakPolarHBondContact CA-O 3.14Å; H228-T240 WeakPolarHBondContact CB-O 3.36Å; D229-T240 PolarHBondContact N-O 3.27Å; D229-T240 PolarHBondContact O-N 3.46Å; T240-Y242 HydrophobicContact CG2-CD2 4.37Å; T240-Y242 HydrophobicContact CG2-CE1 4.37Å; T240-Y242 HydrophobicContact CG2-CE2 3.96Å; T240-K295 HydrophobicContact CG2-CB 4.02Å; T240-K295 HydrophobicContact CG2-CD 3.4Å; T240-K295 VanDerWaalsContact CG2-CD 3.4Å; T240-K295 HydrophobicContact CG2-CG 4.25Å; T240-E297 HydrophobicContact CG2-CG 4.46Å
241I94.4Very high89.4Confident0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-109121175.2-59.6163.3000108.3C226 H228 A243 C262 I264 F272 K295 V296 I298C226-I241 HydrophobicContact CB-CG2 3.9Å; H228-I241 HydrophobicContact CB-CG1 4.22Å; I241-A243 HydrophobicContact CG2-CB 4.49Å; I241-A243 PolarHBondContact O-N 3.15Å; I241-C262 HydrophobicContact CD1-CB 4.04Å; I241-I264 HydrophobicContact CB-CD1 4.13Å; I241-I264 HydrophobicContact CD1-CD1 3.56Å; I241-I264 HydrophobicContact CG1-CD1 4.45Å; I241-I264 HydrophobicContact CG2-CD1 3.96Å; I241-F272 HydrophobicContact CD1-CE1 3.99Å; I241-F272 HydrophobicContact CG1-CE1 4.37Å; I241-F272 HydrophobicContact CG2-CD1 4.02Å; I241-F272 HydrophobicContact CG2-CE1 3.84Å; I241-F272 HydrophobicContact CG2-CZ 4.45Å; I241-K295 CarbonylContact O-C 3.55Å; I241-K295 WeakPolarHBondContact O-CA 3.23Å; I241-K295 WeakPolarHBondContact O-CB 3.44Å; I241-V296 PolarHBondContact N-O 3.16Å; I241-V296 PolarHBondContact O-N 2.97Å; I241-I298 HydrophobicContact CD1-CD1 3.8Å
242Y92.4Very high89.2Confident99 Ų9941.9 Ų41.939%0.38822%0.222SC..  trans-83.585.7-178.7-66.4-89.6000110.1R227 D229 T240 K295R227-Y242 HydrophobicContact CB-CD2 4.32Å; R227-Y242 HydrophobicContact CG-CD2 4Å; R227-Y242 PolarHBondContact O-N 3.38Å; D229-Y242 HydrophobicContact CB-CE2 3.97Å; T240-Y242 HydrophobicContact CG2-CD2 4.37Å; T240-Y242 HydrophobicContact CG2-CE1 4.37Å; T240-Y242 HydrophobicContact CG2-CE2 3.96Å; Y242-K295 HydrophobicContact CD1-CB 4.36Å
243A89.9Confident89.2Confident1 Ų139.3 Ų39.31%0.00821%0.211CC..  trans-125.5111.3174.800000109.4I241 S246 I264 F266I241-A243 HydrophobicContact CG2-CB 4.49Å; I241-A243 PolarHBondContact O-N 3.15Å; A243-S246 WeakPolarHBondContact CB-OG 3.48Å; A243-S246 PolarHBondContact O-OG 3.18Å; A243-S246 VanDerWaalsContact O-OG 3.1Å; A243-I264 HydrophobicContact CB-CG2 4.01Å; A243-F266 HydrophobicContact CB-CB 4.1Å; A243-F266 HydrophobicContact CB-CD1 4.14Å; A243-F266 HydrophobicContact CB-CD2 4.48Å; A243-F266 HydrophobicContact CB-CG 4Å
244K88.3Confident89.3Confident130 Ų13038.1 Ų38.157%0.56520%0.199SC*.THydrogen-bonded Turntrans-75138.7-178.7-69.7-177.5179.7179.10110.7S246 E267 P293K244-S246 VanDerWaalsContact C-N 3.34Å; K244-S246 PolarHBondContact O-N 3.02Å; K244-E267 WeakPolarHBondContact CB-OE1 3.33Å; K244-P293 CarbonylContact C-O 3.54Å; K244-P293 VanDerWaalsContact CA-O 3.3Å; K244-P293 WeakPolarHBondContact CA-O 3.45Å
245N85.9Confident89.6Confident32 Ų3235.3 Ų35.317%0.17118%0.176CC..THydrogen-bonded Turntrans5052.2175.4-53.7-42000112.6L129 L132 L134 P293L129-N245 HydrophobicContact CD2-CB 4.3Å; L132-N245 HydrophobicContact CD1-CB 4.04Å; L132-N245 VanDerWaalsContact CD1-CG 3.48Å; L132-N245 WeakPolarHBondContact CD1-ND2 3.5Å; L134-N245 HydrophobicContact CD1-CB 4.3Å; N245-P293 PolarHBondContact N-O 3.45Å
246S86.5Confident89.6Confident0 Ų032.7 Ų32.70%016%0.162CC..BIsolated β-bridgetrans-70.7133.8178-59.50000110.2A243 K244 Q265A243-S246 WeakPolarHBondContact CB-OG 3.48Å; A243-S246 PolarHBondContact O-OG 3.18Å; A243-S246 VanDerWaalsContact O-OG 3.1Å; K244-S246 VanDerWaalsContact C-N 3.34Å; K244-S246 PolarHBondContact O-N 3.02Å; S246-Q265 WeakPolarHBondContact CA-O 3.34Å
247N85.4Confident89.3Confident13 Ų1332.7 Ų32.77%0.0716%0.163CC..  trans-84.7120.8-179.6-175.1-46.6000110.1D249 F250 C251 Q265N247-D249 PolarHBondContact O-N 3.19Å; N247-D249 PolarHBondContact OD1-N 2.95Å; N247-F250 HydrophobicContact CB-CD2 4.33Å; N247-F250 PolarHBondContact O-N 2.64Å; N247-C251 WeakPolarHBondContact O-CB 3.4Å; N247-C251 PolarHBondContact O-N 2.78Å; N247-C251 PolarHBondContact O-SG 2.98Å; N247-Q265 PolarHBondContact N-O 2.89Å
248P84.3Confident88.9Confident18 Ų1832.8 Ų32.812%0.11716%0.163CC..SBendtrans-64.4-33.9-175.626.9-34.8000113.9V121 L129 F250 C251 M291V121-P248 HydrophobicContact CG2-CB 3.66Å; V121-P248 HydrophobicContact CG2-CG 4.23Å; L129-P248 HydrophobicContact CD1-CG 4.46Å; P248-F250 VanDerWaalsContact C-N 3.32Å; P248-F250 PolarHBondContact O-N 3.33Å; P248-C251 PolarHBondContact O-N 3.49Å; P248-M291 HydrophobicContact CB-SD 4.16Å
249D83.6Confident88.6Confident131 Ų13132.3 Ų32.370%0.70116%0.16SC*.THydrogen-bonded Turntrans-71.6-29.7-175.8-63.5-31.9000112.4N247N247-D249 PolarHBondContact O-N 3.19Å; N247-D249 PolarHBondContact OD1-N 2.95Å
250F82.6Confident88.4Confident99 Ų9932.3 Ų32.343%0.43416%0.16SC..THydrogen-bonded Turntrans-101.64.1-179.6-63.1-72.9000113.7N247 P248 Q265N247-F250 HydrophobicContact CB-CD2 4.33Å; N247-F250 PolarHBondContact O-N 2.64Å; P248-F250 VanDerWaalsContact C-N 3.32Å; P248-F250 PolarHBondContact O-N 3.33Å; F250-Q265 HydrophobicContact CB-CB 3.81Å; F250-Q265 HydrophobicContact CB-CG 4.26Å
251C88.3Confident88.3Confident17 Ų1733.5 Ų33.512%0.11517%0.166CC..  trans-95.6123.9174.5-72.90000110.8N247 P248 Q263 Q265 M291N247-C251 WeakPolarHBondContact O-CB 3.4Å; N247-C251 PolarHBondContact O-N 2.78Å; N247-C251 PolarHBondContact O-SG 2.98Å; P248-C251 PolarHBondContact O-N 3.49Å; C251-Q263 CarbonylContact C-O 3.51Å; C251-Q263 WeakPolarHBondContact CA-O 3.48Å; C251-Q265 PolarHBondContact SG-N 2.91Å; C251-Q265 VanDerWaalsContact SG-N 3.39Å; C251-M291 HydrophobicContact CB-CE 3.99Å
252S88.6Confident88.2Confident27 Ų2733.5 Ų33.519%0.18917%0.166CC..EExtended strand (participates in β ladder)trans-118.3124.4171.1-162.60000109.6K116 E254 Q263K116-S252 WeakPolarHBondContact CE-OG 3.47Å; S252-E254 PolarHBondContact OG-OE1 3.18Å; S252-E254 VanDerWaalsContact OG-OE1 3.11Å; S252-Q263 PolarHBondContact N-O 2.94Å; S252-Q263 PolarHBondContact O-N 2.83Å; S252-Q263 VanDerWaalsContact O-O 3.14Å
253V91.4Very high88.1Confident14 Ų1432.9 Ų32.99%0.08517%0.166CC..EExtended strand (participates in β ladder)trans-121.9114.6174.4-177.50000107.8L117 L260 V289 I298L117-V253 HydrophobicContact CD1-CG1 4.15Å; L117-V253 PolarHBondContact N-O 3.45Å; V253-L260 HydrophobicContact CG1-CD1 3.63Å; V253-V289 HydrophobicContact CB-CG2 3.93Å; V253-V289 HydrophobicContact CG1-CG2 3.83Å; V253-V289 HydrophobicContact CG2-CG1 4.46Å; V253-V289 HydrophobicContact CG2-CG2 4.2Å; V253-I298 HydrophobicContact CG1-CD1 3.94Å; V253-I298 HydrophobicContact CG1-CG1 4.47Å
254E91.6Very high88.1Confident59 Ų5932.9 Ų32.928%0.27617%0.166SC..EExtended strand (participates in β ladder)trans-118.4129.9-174.4-75.4174.8-151.200109.3M114 K116 S252 L260 I261M114-E254 HydrophobicContact CB-CB 4.12Å; M114-E254 HydrophobicContact SD-CB 4.31Å; K116-E254 WeakPolarHBondContact CE-OE1 3.17Å; K116-E254 HydrophobicContact CG-CG 3.56Å; K116-E254 IonicContact NZ-OE1 3.2Å; S252-E254 PolarHBondContact OG-OE1 3.18Å; S252-E254 VanDerWaalsContact OG-OE1 3.11Å; E254-L260 CarbonylContact O-C 3.49Å; E254-L260 WeakPolarHBondContact O-CA 3.44Å; E254-I261 HydrophobicContact CB-CB 4.49Å; E254-I261 PolarHBondContact N-O 2.83Å; E254-I261 PolarHBondContact O-N 3Å
255A89.9Confident88.2Confident0 Ų027.4 Ų27.40%014%0.143CC..EExtended strand (participates in β ladder)trans-130.6141.6-176.700000111.8T115 L117 V259 L260 I282T115-A255 PolarHBondContact N-O 3.42Å; T115-A255 PolarHBondContact O-N 3.39Å; L117-A255 HydrophobicContact CD1-CB 3.77Å; L117-A255 HydrophobicContact CD2-CB 3.93Å; L117-A255 HydrophobicContact CG-CB 3.79Å; A255-V259 CarbonylContact C-O 3.57Å; A255-V259 WeakPolarHBondContact CA-O 3.34Å; A255-L260 HydrophobicContact CB-CD1 3.88Å; A255-I282 HydrophobicContact CB-CD1 4.36Å
256N88.1Confident88.2Confident2 Ų226.8 Ų26.81%0.01114%0.139CC..  trans-114.3165.5169-152.216.8000108.2S110 Q112 P113 M114 T258 V259 I282S110-N256 PolarHBondContact O-ND2 3.44Å; Q112-N256 WeakPolarHBondContact CB-ND2 3.24Å; Q112-N256 WeakPolarHBondContact CB-OD1 3.49Å; Q112-N256 PolarHBondContact N-ND2 2.77Å; Q112-N256 VanDerWaalsContact O-CG 3.3Å; Q112-N256 PolarHBondContact O-ND2 2.81Å; Q112-N256 PolarHBondContact O-OD1 3.36Å; P113-N256 PolarHBondContact O-OD1 2.78Å; M114-N256 HydrophobicContact CG-CB 4.46Å; N256-T258 PolarHBondContact O-N 2.76Å; N256-V259 HydrophobicContact CB-CB 4.2Å; N256-V259 PolarHBondContact N-O 3.41Å; N256-V259 PolarHBondContact O-N 3.07Å; N256-V259 VanDerWaalsContact O-O 3.13Å; N256-I282 WeakPolarHBondContact O-CD1 3.23Å; N256-I282 WeakPolarHBondContact O-CG1 3.21Å
257P86Confident87.7Confident26 Ų2629.7 Ų29.717%0.16915%0.152CC..SBendtrans-56.2-19.3177-29.839000115.2P108 V281 I282P108-P257 HydrophobicContact CG-CB 4.41Å; P257-V281 HydrophobicContact CB-CG1 3.87Å; P257-V281 CarbonylContact O-C 3.53Å; P257-V281 WeakPolarHBondContact O-CA 3.31Å; P257-I282 WeakPolarHBondContact CA-O 3.49Å; P257-I282 WeakPolarHBondContact CB-O 3.1Å; P257-I282 WeakPolarHBondContact O-CG1 3.36Å; P257-I282 PolarHBondContact O-N 3.16Å
258T85.6Confident87Confident1 Ų134.2 Ų34.21%0.00618%0.177CC..SBendtrans-127.2-8.3-179.358.10000114.6R107 S110 N256 F278R107-T258 HydrophobicContact CG-CG2 3.99Å; S110-T258 WeakPolarHBondContact CA-OG1 3.36Å; N256-T258 PolarHBondContact O-N 2.76Å; T258-F278 PolarHBondContact O-N 3.46Å
259V88.9Confident86.6Confident3 Ų335.3 Ų35.32%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-134.2142.4-174.3-175.50000110.4S110 M114 A255 N256 I261 F276S110-V259 WeakPolarHBondContact OG-CG2 3.28Å; M114-V259 HydrophobicContact CE-CG1 4.1Å; A255-V259 CarbonylContact C-O 3.57Å; A255-V259 WeakPolarHBondContact CA-O 3.34Å; N256-V259 HydrophobicContact CB-CB 4.2Å; N256-V259 PolarHBondContact N-O 3.41Å; N256-V259 PolarHBondContact O-N 3.07Å; N256-V259 VanDerWaalsContact O-O 3.13Å; V259-I261 HydrophobicContact CG1-CG1 4.32Å; V259-F276 CarbonylContact C-O 3.56Å; V259-F276 VanDerWaalsContact CA-O 3.29Å; V259-F276 WeakPolarHBondContact CA-O 3.41Å
260L91.1Very high86.7Confident0 Ų032.2 Ų32.20%016%0.162CC..EExtended strand (participates in β ladder)trans-128.1122.1171.6170.676.7000109.6L117 V253 E254 A255 E275 F276 F278 I298 L300L117-L260 HydrophobicContact CD1-CD1 4.32Å; V253-L260 HydrophobicContact CG1-CD1 3.63Å; E254-L260 CarbonylContact O-C 3.49Å; E254-L260 WeakPolarHBondContact O-CA 3.44Å; A255-L260 HydrophobicContact CB-CD1 3.88Å; L260-E275 CarbonylContact O-C 3.46Å; L260-E275 WeakPolarHBondContact O-CA 3.48Å; L260-F276 HydrophobicContact CB-CB 4.25Å; L260-F276 HydrophobicContact CD2-CD2 3.95Å; L260-F276 HydrophobicContact CG-CD2 4.31Å; L260-F276 PolarHBondContact N-O 3.15Å; L260-F276 PolarHBondContact O-N 3.01Å; L260-F278 HydrophobicContact CB-CE1 4.45Å; L260-F278 HydrophobicContact CB-CE2 3.49Å; L260-F278 VanDerWaalsContact CB-CE2 3.49Å; L260-F278 HydrophobicContact CB-CZ 3.34Å; L260-F278 HydrophobicContact CD2-CZ 3.75Å; L260-F278 HydrophobicContact CG-CZ 4.15Å; L260-I298 HydrophobicContact CD1-CG2 4.32Å; L260-I298 HydrophobicContact CD2-CD1 3.93Å; L260-I298 HydrophobicContact CD2-CG2 4.21Å; L260-L300 HydrophobicContact CD2-CD1 4.44Å
261I91.4Very high87Confident31 Ų3128.7 Ų28.716%0.15915%0.147CC..EExtended strand (participates in β ladder)trans-104.1122.7171.7-58-168.4000108.6M114 E254 V259 E275M114-I261 HydrophobicContact CE-CD1 3.39Å; M114-I261 HydrophobicContact CE-CG1 3.83Å; M114-I261 HydrophobicContact SD-CB 4.32Å; M114-I261 HydrophobicContact SD-CD1 3.47Å; M114-I261 WeakPolarHBondContact SD-CD1 3.14Å; M114-I261 HydrophobicContact SD-CG1 3.67Å; E254-I261 HydrophobicContact CB-CB 4.49Å; E254-I261 PolarHBondContact N-O 2.83Å; E254-I261 PolarHBondContact O-N 3Å; V259-I261 HydrophobicContact CG1-CG1 4.32Å; I261-E275 HydrophobicContact CD1-CG 4.2Å; I261-E275 HydrophobicContact CG1-CB 4.37Å; I261-E275 HydrophobicContact CG1-CG 3.9Å; I261-E275 HydrophobicContact CG2-CG 4.3Å
262C91.4Very high87.1Confident0 Ų028.1 Ų28.10%014%0.143CC..EExtended strand (participates in β ladder)trans-113.9119.9177.6-650000109.6I241 K273 R274 I298I241-C262 HydrophobicContact CD1-CB 4.04Å; C262-K273 CarbonylContact O-C 3.58Å; C262-K273 VanDerWaalsContact O-CA 3.29Å; C262-K273 WeakPolarHBondContact O-CA 3.39Å; C262-R274 PolarHBondContact N-O 3.44Å; C262-R274 PolarHBondContact O-N 3.47Å; C262-I298 WeakPolarHBondContact SG-CD1 3.47Å
263Q91.2Very high87.2Confident86 Ų8632.3 Ų32.340%0.40216%0.158SC..EExtended strand (participates in β ladder)trans-118.2105.9167.4-176.9175.3-16.900108.9C251 S252 I271 F272C251-Q263 CarbonylContact C-O 3.51Å; C251-Q263 WeakPolarHBondContact CA-O 3.48Å; S252-Q263 PolarHBondContact N-O 2.94Å; S252-Q263 PolarHBondContact O-N 2.83Å; S252-Q263 VanDerWaalsContact O-O 3.14Å; Q263-I271 HydrophobicContact CG-CG2 4.26Å; Q263-F272 CarbonylContact C-O 3.52Å; Q263-F272 VanDerWaalsContact CA-O 3.32Å; Q263-F272 WeakPolarHBondContact CA-O 3.34Å
264I90.8Very high87.1Confident1 Ų136.2 Ų36.21%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-119.3122-174.4-60173.7000109I241 A243 F272 V296I241-I264 HydrophobicContact CB-CD1 4.13Å; I241-I264 HydrophobicContact CD1-CD1 3.56Å; I241-I264 HydrophobicContact CG1-CD1 4.45Å; I241-I264 HydrophobicContact CG2-CD1 3.96Å; A243-I264 HydrophobicContact CB-CG2 4.01Å; I264-F272 HydrophobicContact CB-CB 4.43Å; I264-F272 HydrophobicContact CD1-CD1 4.33Å; I264-F272 PolarHBondContact N-O 3.05Å; I264-F272 PolarHBondContact O-N 3.44Å; I264-V296 HydrophobicContact CD1-CB 4.13Å; I264-V296 HydrophobicContact CD1-CG1 4.2Å; I264-V296 HydrophobicContact CD1-CG2 4.26Å; I264-V296 HydrophobicContact CG2-CG2 4.37Å
265Q89.3Confident87Confident16 Ų1637 Ų378%0.07517%0.174CC..EExtended strand (participates in β ladder)trans-98.7125.6172-174.7169.7-33.700109.8S246 N247 F250 C251 N269 K270 I271S246-Q265 WeakPolarHBondContact CA-O 3.34Å; N247-Q265 PolarHBondContact N-O 2.89Å; F250-Q265 HydrophobicContact CB-CB 3.81Å; F250-Q265 HydrophobicContact CB-CG 4.26Å; C251-Q265 PolarHBondContact SG-N 2.91Å; C251-Q265 VanDerWaalsContact SG-N 3.39Å; Q265-N269 PolarHBondContact NE2-OD1 3.43Å; Q265-K270 VanDerWaalsContact CA-O 3.3Å; Q265-K270 WeakPolarHBondContact CA-O 3.5Å; Q265-I271 HydrophobicContact CG-CG1 4.47Å
266F86.3Confident87Confident18 Ų1837 Ų378%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-140.9160.8-176.168.3-81.5000110.2V224 C226 A243 K270 F272V224-F266 HydrophobicContact CB-CZ 4.1Å; V224-F266 HydrophobicContact CG1-CZ 4.22Å; C226-F266 WeakPolarHBondContact SG-CE1 3.49Å; C226-F266 WeakPolarHBondContact SG-CZ 3.5Å; A243-F266 HydrophobicContact CB-CB 4.1Å; A243-F266 HydrophobicContact CB-CD1 4.14Å; A243-F266 HydrophobicContact CB-CD2 4.48Å; A243-F266 HydrophobicContact CB-CG 4Å; F266-K270 HydrophobicContact CD1-CB 4.27Å; F266-K270 HydrophobicContact CD2-CB 4.35Å; F266-K270 HydrophobicContact CD2-CD 4.25Å; F266-K270 HydrophobicContact CE1-CB 3.93Å; F266-K270 HydrophobicContact CE2-CB 4.04Å; F266-K270 HydrophobicContact CE2-CD 3.67Å; F266-K270 HydrophobicContact CG-CB 4.46Å; F266-K270 HydrophobicContact CZ-CB 3.82Å; F266-K270 HydrophobicContact CZ-CD 4.06Å; F266-K270 PolarHBondContact N-O 3.18Å; F266-K270 WeakPolarHBondContact O-CB 3.44Å; F266-K270 PolarHBondContact O-N 2.95Å; F266-F272 HydrophobicContact CD1-CB 4.49Å; F266-F272 HydrophobicContact CE1-CB 3.95Å
267E75.3Confident87.1Confident61 Ų6137.8 Ų37.829%0.28518%0.178SC..THydrogen-bonded Turntrans24.1104.6176-69.3-177.7174.400116.7K244 N269 K270K244-E267 WeakPolarHBondContact CB-OE1 3.33Å; E267-N269 PolarHBondContact O-N 2.9Å; E267-K270 HydrophobicContact CB-CD 4.38Å; E267-K270 WeakPolarHBondContact O-CD 3.46Å; E267-K270 VanDerWaalsContact O-CG 3.31Å; E267-K270 WeakPolarHBondContact O-CG 3.31Å; E267-K270 PolarHBondContact O-N 3.06Å; E267-K270 IonicContact OE2-NZ 3.34Å; E267-K270 PolarHBondContact OE2-NZ 3Å
268N72Confident87.2Confident109 Ų10936.6 Ų36.658%0.58317%0.17SC*.THydrogen-bonded Turntrans55.947.2172.4-55.1-10.4000113.1K270N268-K270 VanDerWaalsContact C-N 3.3Å; N268-K270 PolarHBondContact O-N 2.84Å
269N75.9Confident87.1Confident41 Ų4139.4 Ų39.422%0.21918%0.18CC..THydrogen-bonded Turntrans64.222.7174.9-63.2-32.9000115.8Q219 K221 Q265 E267Q219-N269 PolarHBondContact OE1-ND2 3.18Å; K221-N269 WeakPolarHBondContact CA-O 3.14Å; K221-N269 HydrophobicContact CG-CB 4.48Å; Q265-N269 PolarHBondContact NE2-OD1 3.43Å; E267-N269 PolarHBondContact O-N 2.9Å
270K85.1Confident86.9Confident66 Ų6639.7 Ų39.729%0.28718%0.184SC..EExtended strand (participates in β ladder)trans-69.9141.2168.3-62.9166.9-168.21680109.6V224 Q265 F266 E267 N268V224-K270 HydrophobicContact CG2-CB 4.18Å; V224-K270 HydrophobicContact CG2-CD 4.24Å; V224-K270 HydrophobicContact CG2-CG 4.08Å; Q265-K270 VanDerWaalsContact CA-O 3.3Å; Q265-K270 WeakPolarHBondContact CA-O 3.5Å; F266-K270 HydrophobicContact CD1-CB 4.27Å; F266-K270 HydrophobicContact CD2-CB 4.35Å; F266-K270 HydrophobicContact CD2-CD 4.25Å; F266-K270 HydrophobicContact CE1-CB 3.93Å; F266-K270 HydrophobicContact CE2-CB 4.04Å; F266-K270 HydrophobicContact CE2-CD 3.67Å; F266-K270 HydrophobicContact CG-CB 4.46Å; F266-K270 HydrophobicContact CZ-CB 3.82Å; F266-K270 HydrophobicContact CZ-CD 4.06Å; F266-K270 PolarHBondContact N-O 3.18Å; F266-K270 WeakPolarHBondContact O-CB 3.44Å; F266-K270 PolarHBondContact O-N 2.95Å; E267-K270 HydrophobicContact CB-CD 4.38Å; E267-K270 WeakPolarHBondContact O-CD 3.46Å; E267-K270 VanDerWaalsContact O-CG 3.31Å; E267-K270 WeakPolarHBondContact O-CG 3.31Å; E267-K270 PolarHBondContact O-N 3.06Å; E267-K270 IonicContact OE2-NZ 3.34Å; E267-K270 PolarHBondContact OE2-NZ 3Å; N268-K270 VanDerWaalsContact C-N 3.3Å; N268-K270 PolarHBondContact O-N 2.84Å
271I88.7Confident86.7Confident24 Ų2440.9 Ų40.912%0.12319%0.192CC..EExtended strand (participates in β ladder)trans-121127.2-179.1-58.2-179.7000109.5K221 K222 K223 V224 Q263 Q265K221-I271 HydrophobicContact CB-CD1 3.88Å; K221-I271 HydrophobicContact CB-CG1 4.43Å; K221-I271 HydrophobicContact CD-CD1 3.78Å; K221-I271 HydrophobicContact CG-CD1 3.98Å; K222-I271 PolarHBondContact O-N 2.74Å; K223-I271 VanDerWaalsContact CA-O 3.3Å; K223-I271 WeakPolarHBondContact CA-O 3.46Å; V224-I271 PolarHBondContact N-O 3.27Å; Q263-I271 HydrophobicContact CG-CG2 4.26Å; Q265-I271 HydrophobicContact CG-CG1 4.47Å
272F89.6Confident86.6Confident6 Ų639.6 Ų39.63%0.02619%0.185CC..EExtended strand (participates in β ladder)trans-104.1116.9167.1175.3-107.4000108.7V224 C226 I241 Q263 I264 F266 R274V224-F272 WeakPolarHBondContact O-CD2 3.45Å; C226-F272 HydrophobicContact CB-CB 4.49Å; C226-F272 HydrophobicContact CB-CD1 4.36Å; C226-F272 HydrophobicContact CB-CD2 3.56Å; C226-F272 HydrophobicContact CB-CE1 4.48Å; C226-F272 HydrophobicContact CB-CE2 3.7Å; C226-F272 HydrophobicContact CB-CG 3.89Å; C226-F272 HydrophobicContact CB-CZ 4.15Å; I241-F272 HydrophobicContact CD1-CE1 3.99Å; I241-F272 HydrophobicContact CG1-CE1 4.37Å; I241-F272 HydrophobicContact CG2-CD1 4.02Å; I241-F272 HydrophobicContact CG2-CE1 3.84Å; I241-F272 HydrophobicContact CG2-CZ 4.45Å; Q263-F272 CarbonylContact C-O 3.52Å; Q263-F272 VanDerWaalsContact CA-O 3.32Å; Q263-F272 WeakPolarHBondContact CA-O 3.34Å; I264-F272 HydrophobicContact CB-CB 4.43Å; I264-F272 HydrophobicContact CD1-CD1 4.33Å; I264-F272 PolarHBondContact N-O 3.05Å; I264-F272 PolarHBondContact O-N 3.44Å; F266-F272 HydrophobicContact CD1-CB 4.49Å; F266-F272 HydrophobicContact CE1-CB 3.95Å; F272-R274 HydrophobicContact CE1-CB 3.8Å; F272-R274 HydrophobicContact CE2-CB 4.08Å; F272-R274 HydrophobicContact CZ-CB 3.5Å; F272-R274 VanDerWaalsContact CZ-CB 3.5Å; F272-R274 HydrophobicContact CZ-CG 4.25Å
273K90.6Very high86.5Confident115 Ų11542 Ų4250%0.520%0.197SC..EExtended strand (participates in β ladder)trans-115.7126.2170.2-170.9-175.7176.1-163.10108.3C262 E275C262-K273 CarbonylContact O-C 3.58Å; C262-K273 VanDerWaalsContact O-CA 3.29Å; C262-K273 WeakPolarHBondContact O-CA 3.39Å; K273-E275 IonicContact NZ-OE1 3.37Å
274R89.4Confident86.3Confident95 Ų9538.3 Ų38.336%0.35818%0.182SC..EExtended strand (participates in β ladder)trans-151.2148.3173.9-172.8160.9176.6130.3-3.2111.6H228 C262 F272 F276 E312H228-R274 VanDerWaalsContact CE1-CZ 3.48Å; C262-R274 PolarHBondContact N-O 3.44Å; C262-R274 PolarHBondContact O-N 3.47Å; F272-R274 HydrophobicContact CE1-CB 3.8Å; F272-R274 HydrophobicContact CE2-CB 4.08Å; F272-R274 HydrophobicContact CZ-CB 3.5Å; F272-R274 VanDerWaalsContact CZ-CB 3.5Å; F272-R274 HydrophobicContact CZ-CG 4.25Å; R274-F276 HydrophobicContact CB-CE2 4.25Å; R274-F276 HydrophobicContact CG-CD2 4.47Å; R274-F276 HydrophobicContact CG-CE1 4.45Å; R274-F276 HydrophobicContact CG-CE2 4.01Å; R274-F276 HydrophobicContact CG-CZ 4Å; R274-E312 IonicContact NH2-OE1 3.49Å
275E90.8Very high86.1Confident76 Ų7647.1 Ų47.136%0.35522%0.22SC..EExtended strand (participates in β ladder)trans-117.9131.5178.5-50.7-172.5-179.800108.2L260 I261 K273L260-E275 CarbonylContact O-C 3.46Å; L260-E275 WeakPolarHBondContact O-CA 3.48Å; I261-E275 HydrophobicContact CD1-CG 4.2Å; I261-E275 HydrophobicContact CG1-CB 4.37Å; I261-E275 HydrophobicContact CG1-CG 3.9Å; I261-E275 HydrophobicContact CG2-CG 4.3Å; K273-E275 IonicContact NZ-OE1 3.37Å
276F89.8Confident86Confident0 Ų052 Ų520%024%0.243CC..EExtended strand (participates in β ladder)trans-116.9124.5-179.8-62.7-89.3000109H228 V239 V259 L260 R274 F278 L311 E312H228-F276 AromaticContact CD2-CE1 3.73Å; H228-F276 AromaticContact NE2-CE1 3.88Å; V239-F276 HydrophobicContact CG1-CZ 4.45Å; V259-F276 CarbonylContact C-O 3.56Å; V259-F276 VanDerWaalsContact CA-O 3.29Å; V259-F276 WeakPolarHBondContact CA-O 3.41Å; L260-F276 HydrophobicContact CB-CB 4.25Å; L260-F276 HydrophobicContact CD2-CD2 3.95Å; L260-F276 HydrophobicContact CG-CD2 4.31Å; L260-F276 PolarHBondContact N-O 3.15Å; L260-F276 PolarHBondContact O-N 3.01Å; R274-F276 HydrophobicContact CB-CE2 4.25Å; R274-F276 HydrophobicContact CG-CD2 4.47Å; R274-F276 HydrophobicContact CG-CE1 4.45Å; R274-F276 HydrophobicContact CG-CE2 4.01Å; R274-F276 HydrophobicContact CG-CZ 4Å; F276-F278 HydrophobicContact CB-CE1 4.1Å; F276-F278 HydrophobicContact CB-CZ 4.34Å; F276-L311 HydrophobicContact CD1-CD2 4.3Å; F276-E312 VanDerWaalsContact CD1-OE1 3.23Å; F276-E312 WeakPolarHBondContact CD1-OE1 3.29Å
277H89.2Confident86.4Confident19 Ų1951.3 Ų51.39%0.08824%0.24CC..EExtended strand (participates in β ladder)trans-102.9100.6177.7-68.1-99.1000109.1E312 D313 Y316H277-E312 CarbonylContact O-C 3.54Å; H277-E312 WeakPolarHBondContact O-CA 3.36Å; H277-D313 PolarHBondContact O-N 3.27Å; H277-Y316 HydrophobicContact CB-CD1 3.98Å; H277-Y316 HydrophobicContact CB-CD2 4.4Å; H277-Y316 HydrophobicContact CB-CG 3.9Å; H277-Y316 AromaticContact CD2-CD1 3.48Å; H277-Y316 VanDerWaalsContact CD2-CD1 3.48Å; H277-Y316 WeakPolarHBondContact CD2-CD1 3.09Å; H277-Y316 AromaticContact CD2-CE1 3.18Å; H277-Y316 WeakPolarHBondContact CD2-CE1 3.44Å; H277-Y316 AromaticContact CD2-CZ 3.6Å; H277-Y316 AromaticContact CE1-CD2 3.98Å; H277-Y316 AromaticContact CE1-CE1 3.57Å; H277-Y316 AromaticContact CE1-CE2 3.32Å; H277-Y316 WeakPolarHBondContact CE1-CE2 3.44Å; H277-Y316 AromaticContact CE1-CZ 3.07Å; H277-Y316 PolarHBondContact CE1-OH 3.29Å; H277-Y316 AromaticContact CG-CD1 3.51Å; H277-Y316 AromaticContact CG-CD2 3.86Å; H277-Y316 AromaticContact CG-CE1 3.59Å; H277-Y316 AromaticContact CG-CE2 3.95Å; H277-Y316 AromaticContact CG-CG 3.64Å; H277-Y316 AromaticContact CG-CZ 3.82Å; H277-Y316 AromaticContact ND1-CD1 3.98Å; H277-Y316 AromaticContact ND1-CD2 3.55Å; H277-Y316 AromaticContact ND1-CE1 3.81Å; H277-Y316 AromaticContact ND1-CE2 3.38Å; H277-Y316 WeakPolarHBondContact ND1-CE2 3.39Å; H277-Y316 AromaticContact ND1-CG 3.84Å; H277-Y316 AromaticContact ND1-CZ 3.5Å; H277-Y316 AromaticContact NE2-CD1 3.96Å; H277-Y316 AromaticContact NE2-CE1 3.2Å; H277-Y316 WeakPolarHBondContact NE2-CE1 2.97Å; H277-Y316 AromaticContact NE2-CE2 3.87Å; H277-Y316 AromaticContact NE2-CZ 3.14Å; H277-Y316 PolarHBondContact NE2-OH 3.48Å; H277-Y316 VanDerWaalsContact NE2-OH 3.17Å
278F89.2Confident87.2Confident0 Ų050.1 Ų50.10%024%0.239CC..BIsolated β-bridgetrans-67.2148-170.8-63.8-53.1000113.1R107 T258 L260 F276 G280 I282 L300 W308 L311R107-F278 VanDerWaalsContact CZ-O 3.25Å; R107-F278 PolarHBondContact NH1-O 3.35Å; R107-F278 PolarHBondContact NH2-O 2.86Å; T258-F278 PolarHBondContact O-N 3.46Å; L260-F278 HydrophobicContact CB-CE1 4.45Å; L260-F278 HydrophobicContact CB-CE2 3.49Å; L260-F278 VanDerWaalsContact CB-CE2 3.49Å; L260-F278 HydrophobicContact CB-CZ 3.34Å; L260-F278 HydrophobicContact CD2-CZ 3.75Å; L260-F278 HydrophobicContact CG-CZ 4.15Å; F276-F278 HydrophobicContact CB-CE1 4.1Å; F276-F278 HydrophobicContact CB-CZ 4.34Å; F278-G280 WeakPolarHBondContact CB-O 3.45Å; F278-I282 HydrophobicContact CD2-CD1 4.08Å; F278-I282 HydrophobicContact CD2-CG1 4.31Å; F278-I282 HydrophobicContact CD2-CG2 4.32Å; F278-I282 HydrophobicContact CE2-CD1 3.69Å; F278-I282 HydrophobicContact CE2-CG1 4.4Å; F278-L300 HydrophobicContact CE1-CD1 3.73Å; F278-L300 HydrophobicContact CE2-CD1 3.78Å; F278-L300 HydrophobicContact CZ-CD1 3.19Å; F278-W308 HydrophobicContact CB-CH2 3.8Å; F278-W308 HydrophobicContact CB-CZ3 3.81Å; F278-W308 HydrophobicContact CD1-CH2 4.31Å; F278-W308 AromaticContact CD1-CZ3 3.83Å; F278-W308 HydrophobicContact CD1-CZ3 3.83Å; F278-W308 HydrophobicContact CG-CH2 4.05Å; F278-W308 AromaticContact CG-CZ3 3.99Å; F278-W308 HydrophobicContact CG-CZ3 3.99Å; F278-L311 CarbonylContact C-O 3.53Å; F278-L311 VanDerWaalsContact CA-O 3.28Å; F278-L311 WeakPolarHBondContact CA-O 3.46Å; F278-L311 HydrophobicContact CD1-CD1 3.91Å; F278-L311 HydrophobicContact CD1-CG 4.23Å; F278-L311 HydrophobicContact CE1-CD1 3.96Å; F278-L311 HydrophobicContact CE1-CG 4.34Å
279W84.2Confident88.3Confident60 Ų6045 Ų4523%0.22721%0.212CC..SBendtrans-71-32.1171.3-179.885.8000112.7R107 V306 W308 K310 L311R107-W279 PolarHBondContact NH1-O 3.37Å; W279-V306 HydrophobicContact CZ3-CG1 4.44Å; W279-W308 HydrophobicContact CE3-CB 4.37Å; W279-W308 HydrophobicContact CE3-CG 4.08Å; W279-K310 WeakPolarHBondContact CB-O 3.47Å; W279-L311 PolarHBondContact N-O 3.26Å
280G84Confident89.1Confident9 Ų945.6 Ų45.69%0.09322%0.215CC..SBendtrans-113.8178.4-18000000113.3F278 W308F278-G280 WeakPolarHBondContact CB-O 3.45Å; G280-W308 VanDerWaalsContact CA-CZ2 3.43Å
281V86.3Confident89.4Confident26 Ų2642.6 Ų42.616%0.15820%0.202CC..  trans-95.3132.1179.2-173.80000110.2R107 P108 P257 A303R107-V281 HydrophobicContact CG-CG2 4.29Å; P108-V281 HydrophobicContact CG-CG1 4.19Å; P257-V281 HydrophobicContact CB-CG1 3.87Å; P257-V281 CarbonylContact O-C 3.53Å; P257-V281 WeakPolarHBondContact O-CA 3.31Å; V281-A303 HydrophobicContact CB-CB 4.15Å; V281-A303 HydrophobicContact CG1-CB 3.98Å; V281-A303 WeakPolarHBondContact O-CB 3.4Å; V281-A303 PolarHBondContact O-N 2.96Å
282I89.9Confident89.6Confident3 Ų342.8 Ų42.82%0.01520%0.204CC..EExtended strand (participates in β ladder)trans-109.8155.9175.265.2162.8000111.8A255 N256 P257 F278 L300 R301 W308A255-I282 HydrophobicContact CB-CD1 4.36Å; N256-I282 WeakPolarHBondContact O-CD1 3.23Å; N256-I282 WeakPolarHBondContact O-CG1 3.21Å; P257-I282 WeakPolarHBondContact CA-O 3.49Å; P257-I282 WeakPolarHBondContact CB-O 3.1Å; P257-I282 WeakPolarHBondContact O-CG1 3.36Å; P257-I282 PolarHBondContact O-N 3.16Å; F278-I282 HydrophobicContact CD2-CD1 4.08Å; F278-I282 HydrophobicContact CD2-CG1 4.31Å; F278-I282 HydrophobicContact CD2-CG2 4.32Å; F278-I282 HydrophobicContact CE2-CD1 3.69Å; F278-I282 HydrophobicContact CE2-CG1 4.4Å; I282-L300 HydrophobicContact CD1-CB 4.36Å; I282-L300 HydrophobicContact CD1-CD1 4.34Å; I282-L300 HydrophobicContact CD1-CD2 3.78Å; I282-L300 HydrophobicContact CD1-CG 4.38Å; I282-L300 HydrophobicContact CG2-CB 4.18Å; I282-R301 CarbonylContact C-O 3.59Å; I282-R301 WeakPolarHBondContact CA-O 3.36Å; I282-R301 WeakPolarHBondContact CB-O 3.26Å; I282-W308 HydrophobicContact CG2-CH2 3.6Å; I282-W308 HydrophobicContact CG2-CZ2 4.01Å
283D89.1Confident89.6Confident50 Ų5044.3 Ų44.327%0.26722%0.215SC..EExtended strand (participates in β ladder)trans-97.3104.2166.4-178.11.2000109.4K285 Q286 S287 R301D283-K285 PolarHBondContact O-N 3.33Å; D283-K285 WeakPolarHBondContact OD1-CB 3.45Å; D283-K285 PolarHBondContact OD1-N 3.19Å; D283-Q286 PolarHBondContact O-N 3.33Å; D283-Q286 WeakPolarHBondContact OD2-CG 3.46Å; D283-S287 PolarHBondContact O-N 2.79Å; D283-S287 PolarHBondContact O-OG 3.32Å; D283-R301 HydrophobicContact CB-CB 4.48Å; D283-R301 PolarHBondContact N-O 3.48Å
284A87Confident89.5Confident10 Ų1042 Ų428%0.08321%0.213CC..EExtended strand (participates in β ladder)trans-61.7-28.5179.800000112.8L117 Q286 S287L117-A284 HydrophobicContact CD2-CB 4.47Å; L117-A284 WeakPolarHBondContact CD2-O 3.42Å; A284-Q286 PolarHBondContact O-N 2.82Å; A284-S287 PolarHBondContact O-N 3.44Å
285K87.1Confident89.7Confident185 Ų18540 Ų4080%0.80421%0.207SC*.EExtended strand (participates in β ladder)trans-71.6-33.8-176.1-64-179.5-179.9177.50112.9D283 S287D283-K285 PolarHBondContact O-N 3.33Å; D283-K285 WeakPolarHBondContact OD1-CB 3.45Å; D283-K285 PolarHBondContact OD1-N 3.19Å; K285-S287 VanDerWaalsContact C-N 3.35Å
286Q87.9Confident89.8Confident120 Ų12036.5 Ų36.556%0.56119%0.19SC*.EExtended strand (participates in β ladder)trans-96.17.2179.2-61.5-172.11100112.7D283 A284 R301D283-Q286 PolarHBondContact O-N 3.33Å; D283-Q286 WeakPolarHBondContact OD2-CG 3.46Å; A284-Q286 PolarHBondContact O-N 2.82Å; Q286-R301 HydrophobicContact CB-CB 3.99Å; Q286-R301 HydrophobicContact CB-CG 4.3Å
287S92.7Very high90Very high2 Ų238.5 Ų38.51%0.01420%0.2CC..EExtended strand (participates in β ladder)trans-91.9147.7177.6-62.60000110.4D283 A284 K285 T299 L300 R301D283-S287 PolarHBondContact O-N 2.79Å; D283-S287 PolarHBondContact O-OG 3.32Å; A284-S287 PolarHBondContact O-N 3.44Å; K285-S287 VanDerWaalsContact C-N 3.35Å; S287-T299 CarbonylContact C-O 3.57Å; S287-T299 VanDerWaalsContact CA-O 3.27Å; S287-T299 WeakPolarHBondContact CA-O 3.21Å; S287-T299 WeakPolarHBondContact CB-O 3.49Å; S287-L300 WeakPolarHBondContact OG-CA 3.31Å; S287-R301 PolarHBondContact OG-N 3.08Å
288S93.1Very high90.3Very high37 Ų3737.6 Ų37.626%0.25920%0.195SC..EExtended strand (participates in β ladder)trans-146.8149.6-176.664.70000112T299S288-T299 PolarHBondContact N-O 3.28Å; S288-T299 PolarHBondContact O-N 3.43Å
289V94.3Very high90.5Very high2 Ų239.7 Ų39.71%0.01221%0.208CC..EExtended strand (participates in β ladder)trans-104.2138.7175.8-176.20000109.4L117 P118 H119 K120 V253 M291 V296 E297 I298L117-V289 HydrophobicContact CB-CG2 3.8Å; L117-V289 HydrophobicContact CD1-CG2 4.14Å; P118-V289 PolarHBondContact O-N 3.14Å; H119-V289 CarbonylContact C-O 3.56Å; H119-V289 WeakPolarHBondContact CA-O 3.49Å; H119-V289 HydrophobicContact CB-CB 3.94Å; H119-V289 HydrophobicContact CB-CG1 4.29Å; K120-V289 PolarHBondContact N-O 3.45Å; V253-V289 HydrophobicContact CB-CG2 3.93Å; V253-V289 HydrophobicContact CG1-CG2 3.83Å; V253-V289 HydrophobicContact CG2-CG1 4.46Å; V253-V289 HydrophobicContact CG2-CG2 4.2Å; V289-M291 HydrophobicContact CG1-CG 4.25Å; V289-V296 HydrophobicContact CG1-CG1 3.61Å; V289-E297 CarbonylContact C-O 3.1Å; V289-E297 WeakPolarHBondContact CA-O 3.38Å; V289-I298 HydrophobicContact CG1-CG1 4.26Å; V289-I298 HydrophobicContact CG2-CG1 4.26Å; V289-I298 HydrophobicContact CG2-CG2 4.3Å
290N93.4Very high91Very high52 Ų5236.8 Ų36.828%0.27820%0.197SC..EExtended strand (participates in β ladder)trans-122.1122.1175.4-177.632.8000109K120 E297K120-N290 WeakPolarHBondContact O-CA 3.44Å; N290-E297 HydrophobicContact CB-CB 4.31Å; N290-E297 PolarHBondContact N-O 2.94Å; N290-E297 PolarHBondContact ND2-OE2 2.91Å; N290-E297 PolarHBondContact O-N 3.13Å
291M92.4Very high91.4Very high3 Ų340.4 Ų40.42%0.01521%0.208CC..EExtended strand (participates in β ladder)trans-107.1119.1-177.5-59-174.974.200110H119 K120 S122 L125 P248 C251 V289 V296H119-M291 HydrophobicContact CB-SD 4.44Å; K120-M291 PolarHBondContact O-N 3.28Å; S122-M291 WeakPolarHBondContact CB-O 3.5Å; S122-M291 PolarHBondContact N-O 3.02Å; S122-M291 PolarHBondContact OG-O 3.47Å; L125-M291 HydrophobicContact CD2-CB 3.59Å; P248-M291 HydrophobicContact CB-SD 4.16Å; C251-M291 HydrophobicContact CB-CE 3.99Å; V289-M291 HydrophobicContact CG1-CG 4.25Å; M291-V296 HydrophobicContact CE-CG2 4.09Å; M291-V296 HydrophobicContact CG-CG1 4.25Å; M291-V296 HydrophobicContact CG-CG2 4.36Å
292V92Very high91.6Very high28 Ų2839.8 Ų39.817%0.1720%0.203CC..EExtended strand (participates in β ladder)trans-120160.8176.4-62.20000110.6S122 S294 K295S122-V292 WeakPolarHBondContact OG-CA 3.32Å; V292-S294 PolarHBondContact O-N 2.92Å; V292-K295 CarbonylContact C-O 3.58Å; V292-K295 HydrophobicContact CG2-CB 4.33Å; V292-K295 HydrophobicContact CG2-CD 4.4Å; V292-K295 HydrophobicContact CG2-CG 3.34Å; V292-K295 WeakPolarHBondContact CG2-O 3.45Å; V292-K295 PolarHBondContact N-O 3.49Å; V292-K295 PolarHBondContact O-N 3.33Å
293P88.8Confident91.4Very high39 Ų3942.2 Ų42.225%0.25322%0.224SC..THydrogen-bonded Turntrans-53.5-32.3-177-27.333000114.9L125 A128 K244 N245L125-P293 HydrophobicContact CB-CG 4.26Å; A128-P293 HydrophobicContact CB-CB 4.49Å; K244-P293 CarbonylContact C-O 3.54Å; K244-P293 VanDerWaalsContact CA-O 3.3Å; K244-P293 WeakPolarHBondContact CA-O 3.45Å; N245-P293 PolarHBondContact N-O 3.45Å
294S89.6Confident91Very high65 Ų6542.4 Ų42.446%0.45523%0.225SC..THydrogen-bonded Turntrans-97.4-20.6-17453.50000114.6V292V292-S294 PolarHBondContact O-N 2.92Å
295K92.8Very high90.6Very high55 Ų5548.5 Ų48.524%0.23925%0.252CS..EExtended strand (participates in β ladder)trans-163.5162.7-170.955.5173.61661650112.4T240 I241 Y242 V292 E297T240-K295 HydrophobicContact CG2-CB 4.02Å; T240-K295 HydrophobicContact CG2-CD 3.4Å; T240-K295 VanDerWaalsContact CG2-CD 3.4Å; T240-K295 HydrophobicContact CG2-CG 4.25Å; I241-K295 CarbonylContact O-C 3.55Å; I241-K295 WeakPolarHBondContact O-CA 3.23Å; I241-K295 WeakPolarHBondContact O-CB 3.44Å; Y242-K295 HydrophobicContact CD1-CB 4.36Å; V292-K295 CarbonylContact C-O 3.58Å; V292-K295 HydrophobicContact CG2-CB 4.33Å; V292-K295 HydrophobicContact CG2-CD 4.4Å; V292-K295 HydrophobicContact CG2-CG 3.34Å; V292-K295 WeakPolarHBondContact CG2-O 3.45Å; V292-K295 PolarHBondContact N-O 3.49Å; V292-K295 PolarHBondContact O-N 3.33Å; K295-E297 HydrophobicContact CD-CG 3.97Å; K295-E297 WeakPolarHBondContact CE-OE1 3.39Å; K295-E297 HydrophobicContact CG-CG 4.3Å; K295-E297 IonicContact NZ-OE1 3.94Å; K295-E297 PolarHBondContact NZ-OE1 3.35Å
296V93.4Very high90.2Very high1 Ų141.4 Ų41.41%0.00622%0.224CC..EExtended strand (participates in β ladder)trans-112.3122.5169.4178.80000107.9I241 I264 V289 M291 I298I241-V296 PolarHBondContact N-O 3.16Å; I241-V296 PolarHBondContact O-N 2.97Å; I264-V296 HydrophobicContact CD1-CB 4.13Å; I264-V296 HydrophobicContact CD1-CG1 4.2Å; I264-V296 HydrophobicContact CD1-CG2 4.26Å; I264-V296 HydrophobicContact CG2-CG2 4.37Å; V289-V296 HydrophobicContact CG1-CG1 3.61Å; M291-V296 HydrophobicContact CE-CG2 4.09Å; M291-V296 HydrophobicContact CG-CG1 4.25Å; M291-V296 HydrophobicContact CG-CG2 4.36Å; V296-I298 HydrophobicContact CG1-CG1 4.41Å
297E94.8Very high89.9Confident42 Ų4240.2 Ų40.220%0.19623%0.229CC..EExtended strand (participates in β ladder)trans-107.8119.5-179.2-63.2179.4146.900109.9V238 T240 V289 N290 K295V238-E297 HydrophobicContact CG1-CB 4.5Å; T240-E297 HydrophobicContact CG2-CG 4.46Å; V289-E297 CarbonylContact C-O 3.1Å; V289-E297 WeakPolarHBondContact CA-O 3.38Å; N290-E297 HydrophobicContact CB-CB 4.31Å; N290-E297 PolarHBondContact N-O 2.94Å; N290-E297 PolarHBondContact ND2-OE2 2.91Å; N290-E297 PolarHBondContact O-N 3.13Å; K295-E297 HydrophobicContact CD-CG 3.97Å; K295-E297 WeakPolarHBondContact CE-OE1 3.39Å; K295-E297 HydrophobicContact CG-CG 4.3Å; K295-E297 IonicContact NZ-OE1 3.94Å; K295-E297 PolarHBondContact NZ-OE1 3.35Å
298I94.9Very high89.6Confident0 Ų040.5 Ų40.50%023%0.23CC..EExtended strand (participates in β ladder)trans-104.9107.4-180-55.3172.2000106.9L117 V238 V239 I241 V253 L260 C262 V289 V296 L300L117-I298 HydrophobicContact CD1-CG2 4.11Å; V238-I298 CarbonylContact C-O 3.58Å; V238-I298 VanDerWaalsContact CA-O 3.31Å; V238-I298 WeakPolarHBondContact CA-O 3.43Å; V239-I298 HydrophobicContact CB-CB 4.35Å; V239-I298 PolarHBondContact N-O 3.31Å; V239-I298 PolarHBondContact O-N 2.95Å; I241-I298 HydrophobicContact CD1-CD1 3.8Å; V253-I298 HydrophobicContact CG1-CD1 3.94Å; V253-I298 HydrophobicContact CG1-CG1 4.47Å; L260-I298 HydrophobicContact CD1-CG2 4.32Å; L260-I298 HydrophobicContact CD2-CD1 3.93Å; L260-I298 HydrophobicContact CD2-CG2 4.21Å; C262-I298 WeakPolarHBondContact SG-CD1 3.47Å; V289-I298 HydrophobicContact CG1-CG1 4.26Å; V289-I298 HydrophobicContact CG2-CG1 4.26Å; V289-I298 HydrophobicContact CG2-CG2 4.3Å; V296-I298 HydrophobicContact CG1-CG1 4.41Å; I298-L300 HydrophobicContact CG2-CD2 3.6Å; I298-L300 HydrophobicContact CG2-CG 3.96Å
299T94Very high89.1Confident44 Ų4442.2 Ų42.227%0.2725%0.253SS..EExtended strand (participates in β ladder)trans-92.7111176.9-59.10000109.1T236 V238 S287 S288T236-T299 HydrophobicContact CG2-CG2 4.4Å; V238-T299 HydrophobicContact CG2-CG2 4.3Å; S287-T299 CarbonylContact C-O 3.57Å; S287-T299 VanDerWaalsContact CA-O 3.27Å; S287-T299 WeakPolarHBondContact CA-O 3.21Å; S287-T299 WeakPolarHBondContact CB-O 3.49Å; S288-T299 PolarHBondContact N-O 3.28Å; S288-T299 PolarHBondContact O-N 3.43Å
300L93.3Very high88.7Confident0 Ų048.1 Ų48.10%028%0.279CS..EExtended strand (participates in β ladder)trans-103.9133.3-179.5-54.4168.6000109.6L117 T236 V237 V239 L260 F278 I282 S287 I298L117-L300 HydrophobicContact CD1-CD2 4.01Å; T236-L300 CarbonylContact C-O 3.59Å; T236-L300 VanDerWaalsContact CA-O 3.24Å; T236-L300 WeakPolarHBondContact CA-O 3.22Å; V237-L300 HydrophobicContact CB-CB 4.44Å; V237-L300 PolarHBondContact N-O 2.96Å; V237-L300 WeakPolarHBondContact O-CA 3.11Å; V237-L300 PolarHBondContact O-N 3.4Å; V239-L300 HydrophobicContact CG2-CD1 4.14Å; L260-L300 HydrophobicContact CD2-CD1 4.44Å; F278-L300 HydrophobicContact CE1-CD1 3.73Å; F278-L300 HydrophobicContact CE2-CD1 3.78Å; F278-L300 HydrophobicContact CZ-CD1 3.19Å; I282-L300 HydrophobicContact CD1-CB 4.36Å; I282-L300 HydrophobicContact CD1-CD1 4.34Å; I282-L300 HydrophobicContact CD1-CD2 3.78Å; I282-L300 HydrophobicContact CD1-CG 4.38Å; I282-L300 HydrophobicContact CG2-CB 4.18Å; S287-L300 WeakPolarHBondContact OG-CA 3.31Å; I298-L300 HydrophobicContact CG2-CD2 3.6Å; I298-L300 HydrophobicContact CG2-CG 3.96Å
301R92Very high88.4Confident85 Ų8546.1 Ų46.132%0.32127%0.268SS..EExtended strand (participates in β ladder)trans-87.7127.6174.3179.3145.5-76.3-113.42.1110.6I282 D283 Q286 S287I282-R301 CarbonylContact C-O 3.59Å; I282-R301 WeakPolarHBondContact CA-O 3.36Å; I282-R301 WeakPolarHBondContact CB-O 3.26Å; D283-R301 HydrophobicContact CB-CB 4.48Å; D283-R301 PolarHBondContact N-O 3.48Å; Q286-R301 HydrophobicContact CB-CB 3.99Å; Q286-R301 HydrophobicContact CB-CG 4.3Å; S287-R301 PolarHBondContact OG-N 3.08Å
302K90.6Very high88Confident12 Ų1249.6 Ų49.65%0.05228%0.284CS..EExtended strand (participates in β ladder)trans-71.8135.5172.8-59.8176176.2177.70109.4T233 N235 V237 N304 V306 W308T233-K302 PolarHBondContact O-NZ 3.48Å; N235-K302 WeakPolarHBondContact O-CB 3.22Å; N235-K302 PolarHBondContact O-N 3.5Å; V237-K302 HydrophobicContact CG2-CD 4.12Å; V237-K302 HydrophobicContact CG2-CG 3.83Å; K302-N304 VanDerWaalsContact C-N 3.32Å; K302-N304 WeakPolarHBondContact CB-O 3.34Å; K302-V306 PolarHBondContact NZ-O 3.48Å; K302-W308 HydrophobicContact CG-CZ2 4.3Å
303A85.6Confident87.3Confident55 Ų5549.7 Ų49.746%0.45528%0.284SS..SBendtrans-69.4-34.9171.800000111.4V281V281-A303 HydrophobicContact CB-CB 4.15Å; V281-A303 HydrophobicContact CG1-CB 3.98Å; V281-A303 WeakPolarHBondContact O-CB 3.4Å; V281-A303 PolarHBondContact O-N 2.96Å
304N81.4Confident86.1Confident53 Ų5351.6 Ų51.628%0.28330%0.296SS..SBendtrans-118.1136.4177.7-65.8-61.2000110.2L103 K302 V306L103-N304 HydrophobicContact CD2-CB 4.06Å; L103-N304 WeakPolarHBondContact CD2-ND2 3.41Å; K302-N304 VanDerWaalsContact C-N 3.32Å; K302-N304 WeakPolarHBondContact CB-O 3.34Å; N304-V306 HydrophobicContact CB-CG2 3.92Å; N304-V306 PolarHBondContact O-N 3.42Å
305Q78.4Confident84.8Confident139 Ų13955.1 Ų55.165%0.6531%0.31SS*.  trans-73.469.6177.2-175.6170.548.300110.6A234 N235A234-Q305 HydrophobicContact CB-CG 4.46Å; N235-Q305 WeakPolarHBondContact OD1-CG 3.46Å; N235-Q305 PolarHBondContact OD1-NE2 2.84Å
306V79.9Confident83.2Confident36 Ų3657.1 Ų57.122%0.21832%0.317CS..  trans-125.9138.6-175.3179.20000108.7L103 W279 K302 N304L103-V306 HydrophobicContact CD1-CB 4.46Å; L103-V306 HydrophobicContact CD1-CG1 4.29Å; L103-V306 HydrophobicContact CD1-CG2 3.65Å; W279-V306 HydrophobicContact CZ3-CG1 4.44Å; K302-V306 PolarHBondContact NZ-O 3.48Å; N304-V306 HydrophobicContact CB-CG2 3.92Å; N304-V306 PolarHBondContact O-N 3.42Å
307S81.7Confident80.9Confident95 Ų9562.8 Ų62.866%0.66435%0.351SS*.  trans-74.6127.3172.4550000110.1
308W86.3Confident78.7Confident8 Ų865.1 Ų65.13%0.0337%0.37CS..  trans-89.6122.8178.4-65.911.3000109.1W230 Q232 V237 F278 W279 G280 I282 K302 K310 L311W230-W308 HydrophobicContact CZ3-CB 4.46Å; Q232-W308 PolarHBondContact NE2-O 2.82Å; V237-W308 HydrophobicContact CG1-CZ3 4.5Å; V237-W308 HydrophobicContact CG2-CD2 3.99Å; V237-W308 HydrophobicContact CG2-CE3 3.89Å; V237-W308 HydrophobicContact CG2-CH2 4.17Å; V237-W308 HydrophobicContact CG2-CZ2 4.26Å; V237-W308 HydrophobicContact CG2-CZ3 3.98Å; F278-W308 HydrophobicContact CB-CH2 3.8Å; F278-W308 HydrophobicContact CB-CZ3 3.81Å; F278-W308 HydrophobicContact CD1-CH2 4.31Å; F278-W308 AromaticContact CD1-CZ3 3.83Å; F278-W308 HydrophobicContact CD1-CZ3 3.83Å; F278-W308 HydrophobicContact CG-CH2 4.05Å; F278-W308 AromaticContact CG-CZ3 3.99Å; F278-W308 HydrophobicContact CG-CZ3 3.99Å; W279-W308 HydrophobicContact CE3-CB 4.37Å; W279-W308 HydrophobicContact CE3-CG 4.08Å; G280-W308 VanDerWaalsContact CA-CZ2 3.43Å; I282-W308 HydrophobicContact CG2-CH2 3.6Å; I282-W308 HydrophobicContact CG2-CZ2 4.01Å; K302-W308 HydrophobicContact CG-CZ2 4.3Å; W308-K310 VanDerWaalsContact C-N 3.32Å; W308-L311 HydrophobicContact CE3-CD1 4.32Å; W308-L311 HydrophobicContact CZ3-CD1 4.16Å
309G82.4Confident76.5Confident73 Ų7373.3 Ų73.375%0.75341%0.408SS*.SBendtrans-73.6-26.6175.500000112.9
310K85.8Confident74Confident126 Ų12677.1 Ų77.155%0.54843%0.434SS..  trans-139.8151.2176.6-64.9-177.8179.2-176.80109.1W279 W308 P314W279-K310 WeakPolarHBondContact CB-O 3.47Å; W308-K310 VanDerWaalsContact C-N 3.32Å; K310-P314 HydrophobicContact CD-CG 3.9Å
311L85.4Confident71.5Confident10 Ų1083.9 Ų83.95%0.05247%0.47CS..SBendtrans-72.6-48.5173.5-176.167.7000110.8W230 V237 V239 F276 F278 W279 W308W230-L311 HydrophobicContact CB-CD1 4.31Å; W230-L311 HydrophobicContact CB-CD2 3.88Å; W230-L311 HydrophobicContact CD2-CB 3.69Å; W230-L311 HydrophobicContact CD2-CD1 4.09Å; W230-L311 HydrophobicContact CD2-CD2 4.41Å; W230-L311 HydrophobicContact CD2-CG 4.28Å; W230-L311 HydrophobicContact CE3-CB 4.14Å; W230-L311 HydrophobicContact CE3-CD1 3.96Å; W230-L311 HydrophobicContact CG-CB 3.94Å; W230-L311 HydrophobicContact CG-CD1 4.23Å; W230-L311 HydrophobicContact CG-CD2 3.84Å; W230-L311 HydrophobicContact CG-CG 4.23Å; W230-L311 HydrophobicContact CZ2-CB 4.16Å; V237-L311 HydrophobicContact CG1-CD1 3.72Å; V239-L311 HydrophobicContact CG2-CD1 4.13Å; V239-L311 HydrophobicContact CG2-CD2 4.15Å; F276-L311 HydrophobicContact CD1-CD2 4.3Å; F278-L311 CarbonylContact C-O 3.53Å; F278-L311 VanDerWaalsContact CA-O 3.28Å; F278-L311 WeakPolarHBondContact CA-O 3.46Å; F278-L311 HydrophobicContact CD1-CD1 3.91Å; F278-L311 HydrophobicContact CD1-CG 4.23Å; F278-L311 HydrophobicContact CE1-CD1 3.96Å; F278-L311 HydrophobicContact CE1-CG 4.34Å; W279-L311 PolarHBondContact N-O 3.26Å; W308-L311 HydrophobicContact CE3-CD1 4.32Å; W308-L311 HydrophobicContact CZ3-CD1 4.16Å
312E85Confident68.9Low75 Ų7585.2 Ų85.235%0.3549%0.49SS..BIsolated β-bridgetrans-99.7147.2-174.1-65.7177.8153.500112R274 F276 H277 P314R274-E312 IonicContact NH2-OE1 3.49Å; F276-E312 VanDerWaalsContact CD1-OE1 3.23Å; F276-E312 WeakPolarHBondContact CD1-OE1 3.29Å; H277-E312 CarbonylContact O-C 3.54Å; H277-E312 WeakPolarHBondContact O-CA 3.36Å; E312-P314 WeakPolarHBondContact O-CD 3.38Å
313D76.4Confident66.4Low30 Ų3091 Ų9116%0.1653%0.525CS..  trans-73.6118.4177-160.5-36.6000110.7R107 H277 N315 Y316R107-D313 IonicContact CZ-OD2 2.85Å; R107-D313 IonicContact NH1-OD2 3.45Å; R107-D313 PolarHBondContact NH1-OD2 2.85Å; R107-D313 IonicContact NH2-OD2 3.96Å; H277-D313 PolarHBondContact O-N 3.27Å; D313-N315 PolarHBondContact O-N 3.4Å; D313-N315 VanDerWaalsContact O-N 3.14Å; D313-N315 PolarHBondContact OD1-N 3Å; D313-N315 VanDerWaalsContact OD1-N 3.08Å; D313-Y316 PolarHBondContact O-N 3.12Å; D313-Y316 VanDerWaalsContact O-N 3.16Å
314P64.1Low63.9Low79 Ų7995.7 Ų95.751%0.51354%0.543SS..THydrogen-bonded Turntrans-61.8-19.8179.4-20.632000114.5K310 E312 Y316K310-P314 HydrophobicContact CD-CG 3.9Å; E312-P314 WeakPolarHBondContact O-CD 3.38Å; P314-Y316 VanDerWaalsContact C-N 3.33Å
315N61.8Low61.9Low140 Ų140100.3 Ų100.375%0.74957%0.568SS**THydrogen-bonded Turntrans-88.1-3.2-178.3-65.6-27.3000112.8D313 T317D313-N315 PolarHBondContact O-N 3.4Å; D313-N315 VanDerWaalsContact O-N 3.14Å; D313-N315 PolarHBondContact OD1-N 3Å; D313-N315 VanDerWaalsContact OD1-N 3.08Å; N315-T317 PolarHBondContact O-N 3.09Å
316Y60.8Low59.8Low97 Ų97101 Ų10138%0.3858%0.576SS.*  trans-81.8111.6174.7-175.6-102.4000110.1H277 D313 P314 P318H277-Y316 HydrophobicContact CB-CD1 3.98Å; H277-Y316 HydrophobicContact CB-CD2 4.4Å; H277-Y316 HydrophobicContact CB-CG 3.9Å; H277-Y316 AromaticContact CD2-CD1 3.48Å; H277-Y316 VanDerWaalsContact CD2-CD1 3.48Å; H277-Y316 WeakPolarHBondContact CD2-CD1 3.09Å; H277-Y316 AromaticContact CD2-CE1 3.18Å; H277-Y316 WeakPolarHBondContact CD2-CE1 3.44Å; H277-Y316 AromaticContact CD2-CZ 3.6Å; H277-Y316 AromaticContact CE1-CD2 3.98Å; H277-Y316 AromaticContact CE1-CE1 3.57Å; H277-Y316 AromaticContact CE1-CE2 3.32Å; H277-Y316 WeakPolarHBondContact CE1-CE2 3.44Å; H277-Y316 AromaticContact CE1-CZ 3.07Å; H277-Y316 PolarHBondContact CE1-OH 3.29Å; H277-Y316 AromaticContact CG-CD1 3.51Å; H277-Y316 AromaticContact CG-CD2 3.86Å; H277-Y316 AromaticContact CG-CE1 3.59Å; H277-Y316 AromaticContact CG-CE2 3.95Å; H277-Y316 AromaticContact CG-CG 3.64Å; H277-Y316 AromaticContact CG-CZ 3.82Å; H277-Y316 AromaticContact ND1-CD1 3.98Å; H277-Y316 AromaticContact ND1-CD2 3.55Å; H277-Y316 AromaticContact ND1-CE1 3.81Å; H277-Y316 AromaticContact ND1-CE2 3.38Å; H277-Y316 WeakPolarHBondContact ND1-CE2 3.39Å; H277-Y316 AromaticContact ND1-CG 3.84Å; H277-Y316 AromaticContact ND1-CZ 3.5Å; H277-Y316 AromaticContact NE2-CD1 3.96Å; H277-Y316 AromaticContact NE2-CE1 3.2Å; H277-Y316 WeakPolarHBondContact NE2-CE1 2.97Å; H277-Y316 AromaticContact NE2-CE2 3.87Å; H277-Y316 AromaticContact NE2-CZ 3.14Å; H277-Y316 PolarHBondContact NE2-OH 3.48Å; H277-Y316 VanDerWaalsContact NE2-OH 3.17Å; D313-Y316 PolarHBondContact O-N 3.12Å; D313-Y316 VanDerWaalsContact O-N 3.16Å; P314-Y316 VanDerWaalsContact C-N 3.33Å; Y316-P318 HydrophobicContact CE1-CB 4.01Å
317T43.9Very low57.6Low119 Ų119106 Ų10673%0.7361%0.606SS**PPolyproline II helixtrans-96.4118167.7-42.10000106.1N315 E319N315-T317 PolarHBondContact O-N 3.09Å; T317-E319 PolarHBondContact O-N 3.01Å
318P48.3Very low55.4Low91 Ų91106 Ų10659%0.59161%0.612SS**PPolyproline II helixtrans-60.7127.717723.8-30.8000108.9Y316Y316-P318 HydrophobicContact CE1-CB 4.01Å
319E49.7Very low52.7Low173 Ų173113 Ų11381%0.80865%0.65SS**PPolyproline II helixtrans-59.6134.5165.1-72.9-174.9164.100107.8T317 D321T317-E319 PolarHBondContact O-N 3.01Å; E319-D321 PolarHBondContact O-N 2.93Å
320P42.3Very low50.2Low123 Ų123115.4 Ų115.480%0.79965%0.646SS**PPolyproline II helixtrans-59.4131.1177.424.3-31.7000108.9
321D38.8Very low47.4Very low142 Ų142117.3 Ų117.376%0.75966%0.662SS**PPolyproline II helixtrans-47135.2174.7-77.3-58.5000109.6E319 V323E319-D321 PolarHBondContact O-N 2.93Å; D321-V323 PolarHBondContact O-N 3.33Å
322P39.3Very low44.8Very low114 Ų114124.6 Ų124.674%0.7470%0.696SS**  trans-59.3115.1173.424.2-31.5000108N324P322-N324 PolarHBondContact O-N 3.47Å
323V38.1Very low42.2Very low132 Ų132128.4 Ų128.480%0.871%0.713SS**  trans-55.8122.4168.3-152.60000105.6D321 D325D321-V323 PolarHBondContact O-N 3.33Å; V323-D325 PolarHBondContact O-N 2.93Å
324N33.1Very low39.9Very low155 Ų155132.5 Ų132.583%0.82975%0.745SS**  trans-60.6105.9172.5-80.3-31.3000107.6P322 D326P322-N324 PolarHBondContact O-N 3.47Å; N324-D326 VanDerWaalsContact C-N 3.35Å; N324-D326 PolarHBondContact O-N 3.49Å; N324-D326 VanDerWaalsContact O-N 3.09Å
325D38.6Very low38.4Very low150 Ų150136.4 Ų136.480%0.80276%0.756SS**  trans-71.690.4168.9-120.9-59000108.1V323V323-D325 PolarHBondContact O-N 2.93Å
326D34.3Very low36.9Very low154 Ų154138 Ų13882%0.82476%0.759SS**  trans-147.970.4162.6-99-54.8000108N324N324-D326 VanDerWaalsContact C-N 3.35Å; N324-D326 PolarHBondContact O-N 3.49Å; N324-D326 VanDerWaalsContact O-N 3.09Å
327V33.3Very low35.9Very low139 Ų139137.8 Ų137.884%0.84277%0.769SS**  trans-166.6100141.2-94.60000108.7
328A34.8Very low35.9Very low96 Ų96138 Ų13879%0.79377%0.766SS**  trans-76.8156.1163.800000111.2
329D31.3Very low35.2Very low156 Ų156144.4 Ų144.483%0.83478%0.779SS**  trans79.6133.2169.3-112.219.3000115.9
330D28.2Very low35Very low122 Ų122142.7 Ų142.765%0.65278%0.775SS**  cis-167.1133.810.517721.6000105.1
331N27.2Very low34.7Very low166 Ų166144.6 Ų144.689%0.88878%0.777SS**  trans-159.384.8157.9-135.5-11.5000110.6
332Q31.5Very low34.8Very low164 Ų164141.9 Ų141.977%0.76677%0.774SS**  trans-83.6124163.5-141173.618.700109.8
333E30.2Very low35.3Very low154 Ų154144 Ų14472%0.7278%0.779SS**  trans75.9114.5140.8-148.6167.1-142.500120.9
334S27.7Very low35.7Very low117 Ų117145.4 Ų145.482%0.81878%0.782SS**  -156106.8125.661.60000110.9
335Q33.8Very low36.3Very low160 Ų160145.2 Ų145.275%0.74878%0.781SS**  trans-61.4137.9159.1-61.6172.8-37.400109
336Q30Very low36.4Very low174 Ų174146.4 Ų146.481%0.81379%0.786SS**  156.6172.294.5-86.1-158.6-33.300108
337P39.5Very low36.6Very low92 Ų92143.7 Ų143.760%0.59778%0.779SS**  cis-132.4160-17.826.3-4.3000114.7
338D44.9Very low37Very low124 Ų124143.5 Ų143.566%0.66377%0.773SS**  trans0.6122.7136.1-162.316.3000118.9
339W32.9Very low37Very low225 Ų225144.9 Ų144.985%0.85278%0.777SS**  trans-140.295.2152.8-7686000109I341W339-I341 PolarHBondContact O-N 3.2Å
340D45.9Very low37.3Very low137 Ų137143.9 Ų143.973%0.73377%0.772SS**  trans-44.3122.3151.3-81.5-39000110.4
341I34.8Very low37.7Very low163 Ų163146.6 Ų146.684%0.83678%0.78SS**  trans-107.3102.2158.9-54.8178.2000105.8W339W339-I341 PolarHBondContact O-N 3.2Å
342A42.3Very low38.3Very low86 Ų86147.4 Ų147.471%0.71178%0.779SS**  trans-63.8146.1172.800000111.1D344A342-D344 PolarHBondContact O-N 3.42Å
343D49.7Very low38.6Very low157 Ų157150.7 Ų150.784%0.8478%0.784SS**  trans-49.2121.7158.8-92.1-38.9000110.2
344D45.6Very low38.8Very low162 Ų162148.2 Ų148.287%0.86679%0.79SS**  trans-175.9140.6134.6-93.2-25000110.4A342A342-D344 PolarHBondContact O-N 3.42Å
345D45.6Very low39.1Very low152 Ų152153 Ų15381%0.81379%0.792SS**  trans87.974.2178.5-80.1-19.1000119.5
346I40.8Very low39.2Very low174 Ų174153.1 Ų153.189%0.89280%0.798SS**  -133.7102.5121-63.5-169.5000109.6
347S39.6Very low39.6Very low97 Ų97150.5 Ų150.568%0.67879%0.794SS**  trans-56.9130169.2154.80000114.3
348D40.2Very low39.8Very low136 Ų136152.4 Ų152.473%0.72781%0.806SS**  trans16.6126.1142.2-68-26.2000121.2
349S35.8Very low39.6Very low125 Ų125154.8 Ų154.887%0.87481%0.813SS**  -147.6118125.7-75.70000110.5
350D37.2Very low39.6Very low135 Ų135151.1 Ų151.172%0.72281%0.811SS**  trans-39.1156167-71.8-52.2000113.5
351E37.3Very low39.5Very low178 Ų178154.8 Ų154.883%0.83282%0.82SS**  179.8135.952-139157.1156.100103.9
352E39.4Very low39.9Very low183 Ų183151 Ų15186%0.85581%0.808SS**  179.5134.877-173172.5-163.400108.5
353W38Very low40Very low233 Ų233156.7 Ų156.788%0.88382%0.82SS**  trans-80.4140.1-175.2-70.475.3000112.9
354A34.8Very low39.8Very low102 Ų102152.8 Ų152.884%0.84382%0.817SS**  trans-149.8131.9151.400000112.1
355Y33Very low39.6Very low219 Ų219151.9 Ų151.986%0.85982%0.817SS**  trans-64153.1-165.2-83.2-104.3000117
356D36.8Very low39.8Very low162 Ų162149.8 Ų149.887%0.86680%0.802SS**  trans-50.8137.6163.3-86.2-46.5000113.8
357T38Very low40.8Very low118 Ų118143.9 Ų143.972%0.72478%0.776SS**  trans-129.2136.215136.20000110.5Q359T357-Q359 VanDerWaalsContact C-N 3.28Å; T357-Q359 PolarHBondContact O-N 2.9Å
358P43.6Very low41.9Very low133 Ų133146.6 Ų146.686%0.86478%0.778SS**SBendtrans-8562.5-172.135.4-35.3000111.5
359Q39.8Very low42.6Very low173 Ų173146.1 Ų146.181%0.80877%0.771SS**  trans-144.155.9176.3-81.6174.9-11.600111.6T357T357-Q359 VanDerWaalsContact C-N 3.28Å; T357-Q359 PolarHBondContact O-N 2.9Å
360N34.2Very low44.1Very low149 Ų149145.2 Ų145.280%0.79775%0.754SS**  trans-160.366.8152.2-120.5-6.8000112.5S362N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.34Å
361K42.8Very low45.8Very low214 Ų214146.8 Ų146.893%0.9375%0.749SS**  trans-8766168.4-158.9177.5-171175.60109.9
362S43.2Very low47.2Very low84 Ų84144 Ų14459%0.58773%0.734SS**  trans-175.2105.6159.454.70000110.4N360N360-S362 VanDerWaalsContact C-N 3.26Å; N360-S362 PolarHBondContact O-N 3.34Å
363Q44.5Very low48.9Very low205 Ų205142.7 Ų142.796%0.95872%0.722SS**  trans145.9117.8147.4-82168.92.300109.2
364G44.7Very low50.9Low75 Ų75138.5 Ų138.577%0.77371%0.706SS**  trans155.637.6178.500000113.6
365V43.2Very low53.2Low142 Ų142138.2 Ų138.286%0.86169%0.687SS**  trans-120.882.1159.9-170.50000104.8S367V365-S367 PolarHBondContact O-N 3.24Å
366E49Very low55.6Low108 Ų108133.7 Ų133.751%0.50567%0.674SS.*  trans-62.2122164.8-81.5-171154.700106.5R374E366-R374 IonicContact OE1-CZ 3.88Å; E366-R374 IonicContact OE1-NH1 3.36Å; E366-R374 PolarHBondContact OE1-NH1 3.45Å; E366-R374 IonicContact OE1-NH2 2.74Å; E366-R374 IonicContact OE2-NH1 2.84Å; E366-R374 PolarHBondContact OE2-NH1 3.39Å
367S60.8Low57.8Low51 Ų51131.6 Ų131.636%0.35766%0.659SS.*  trans-58.4141.2176.158.50000109.5V365 E369 Q370 R371V365-S367 PolarHBondContact O-N 3.24Å; S367-E369 PolarHBondContact O-N 3.35Å; S367-Q370 WeakPolarHBondContact O-CB 3.41Å; S367-Q370 PolarHBondContact O-N 3.18Å; S367-Q370 WeakPolarHBondContact OG-CG 3.37Å; S367-Q370 PolarHBondContact OG-OE1 3.3Å; S367-R371 PolarHBondContact O-N 3.1Å
368E63Low60.1Low154 Ų154131.8 Ų131.872%0.7265%0.651SS**Hα-helixtrans-52.5-27.5178-150.3179.8158.100112.2K372E368-K372 WeakPolarHBondContact O-CG 3.19Å; E368-K372 PolarHBondContact O-N 2.94Å; E368-K372 VanDerWaalsContact O-N 3.12Å
369E56Low62.2Low125 Ų125128.6 Ų128.658%0.58463%0.629SS**Hα-helixtrans-65.6-38.5172-112.6-169.7116.300114.3S367 R373S367-E369 PolarHBondContact O-N 3.35Å; E369-R373 WeakPolarHBondContact O-CG 3.46Å; E369-R373 PolarHBondContact O-N 2.86Å; E369-R373 VanDerWaalsContact O-N 3.08Å; E369-R373 IonicContact OE1-NH2 3.71Å; E369-R373 PolarHBondContact OE1-NH2 3.12Å
370Q65.9Low64.2Low107 Ų107126 Ų12650%0.562%0.617SS.*Hα-helixtrans-71.6-34.3178-80.1172.8-47.800111.8S367 R373 R374S367-Q370 WeakPolarHBondContact O-CB 3.41Å; S367-Q370 PolarHBondContact O-N 3.18Å; S367-Q370 WeakPolarHBondContact OG-CG 3.37Å; S367-Q370 PolarHBondContact OG-OE1 3.3Å; Q370-R373 PolarHBondContact O-N 3.43Å; Q370-R374 PolarHBondContact O-N 3.17Å; Q370-R374 VanDerWaalsContact O-N 3.15Å
371R73.3Confident66.6Low168 Ų168123 Ų12363%0.63460%0.601SS**Hα-helixtrans-67.7-45.6175.7-164.2172.7174.8175.62.1111.2S367 R373 R374 E375S367-R371 PolarHBondContact O-N 3.1Å; R371-R373 VanDerWaalsContact C-N 3.34Å; R371-R373 PolarHBondContact O-N 3.09Å; R371-R374 PolarHBondContact O-N 3.28Å; R371-E375 IonicContact NE-OE1 2.64Å; R371-E375 WeakPolarHBondContact O-CG 3.47Å; R371-E375 PolarHBondContact O-N 3.22Å
372K68.1Low68.7Low118 Ų118118.5 Ų118.551%0.51358%0.584SS.*Hα-helixtrans-58.8-41.2173.2-77-179.2179.3176.30112.9E368 R374 E375 E376E368-K372 WeakPolarHBondContact O-CG 3.19Å; E368-K372 PolarHBondContact O-N 2.94Å; E368-K372 VanDerWaalsContact O-N 3.12Å; K372-R374 PolarHBondContact O-N 2.83Å; K372-E375 PolarHBondContact O-N 3.39Å; K372-E376 WeakPolarHBondContact O-CB 3.44Å; K372-E376 WeakPolarHBondContact O-CG 3.44Å; K372-E376 PolarHBondContact O-N 3.16Å
373R75.1Confident70.7Confident157 Ų157120.5 Ų120.559%0.59258%0.582SS**Hα-helixtrans-65.2-36177.1-74.9179-167.2-154.67.1113.1E369 Q370 R371 Q377E369-R373 WeakPolarHBondContact O-CG 3.46Å; E369-R373 PolarHBondContact O-N 2.86Å; E369-R373 VanDerWaalsContact O-N 3.08Å; E369-R373 IonicContact OE1-NH2 3.71Å; E369-R373 PolarHBondContact OE1-NH2 3.12Å; Q370-R373 PolarHBondContact O-N 3.43Å; R371-R373 VanDerWaalsContact C-N 3.34Å; R371-R373 PolarHBondContact O-N 3.09Å; R373-Q377 VanDerWaalsContact O-CB 3.29Å; R373-Q377 WeakPolarHBondContact O-CB 3.39Å; R373-Q377 PolarHBondContact O-N 3.45Å
374R80.1Confident72.7Confident144 Ų144119.5 Ų119.554%0.54357%0.569SS.*Hα-helixtrans-67.6-45.6174.1-84.4-174.4175.4151.83.6111.5E366 Q370 R371 K372 E376 Q377 E378E366-R374 IonicContact OE1-CZ 3.88Å; E366-R374 IonicContact OE1-NH1 3.36Å; E366-R374 PolarHBondContact OE1-NH1 3.45Å; E366-R374 IonicContact OE1-NH2 2.74Å; E366-R374 IonicContact OE2-NH1 2.84Å; E366-R374 PolarHBondContact OE2-NH1 3.39Å; Q370-R374 PolarHBondContact O-N 3.17Å; Q370-R374 VanDerWaalsContact O-N 3.15Å; R371-R374 PolarHBondContact O-N 3.28Å; K372-R374 PolarHBondContact O-N 2.83Å; R374-E376 PolarHBondContact O-N 3.38Å; R374-Q377 PolarHBondContact O-N 3.02Å; R374-Q377 VanDerWaalsContact O-N 3.15Å; R374-E378 WeakPolarHBondContact O-CG 3.38Å; R374-E378 PolarHBondContact O-N 3.47Å
375E83Confident74.9Confident97 Ų97122.7 Ų122.745%0.45356%0.562SS.*Hα-helixtrans-60.9-43.3177-71.7170.4-175.400111.4R371 K372 Q377 E378 V379R371-E375 IonicContact NE-OE1 2.64Å; R371-E375 WeakPolarHBondContact O-CG 3.47Å; R371-E375 PolarHBondContact O-N 3.22Å; K372-E375 PolarHBondContact O-N 3.39Å; E375-Q377 VanDerWaalsContact C-N 3.32Å; E375-Q377 PolarHBondContact O-N 2.95Å; E375-E378 PolarHBondContact O-N 3.02Å; E375-V379 VanDerWaalsContact O-CG2 3.31Å; E375-V379 WeakPolarHBondContact O-CG2 3.36Å; E375-V379 PolarHBondContact O-N 3.06Å
376E82.3Confident77.2Confident123 Ų123121.9 Ų121.958%0.57555%0.549SS*.Hα-helixtrans-61.8-39174.3-76.1177.4176.500112.6K372 R374 Q380K372-E376 WeakPolarHBondContact O-CB 3.44Å; K372-E376 WeakPolarHBondContact O-CG 3.44Å; K372-E376 PolarHBondContact O-N 3.16Å; R374-E376 PolarHBondContact O-N 3.38Å; E376-Q380 WeakPolarHBondContact O-CG 3.22Å; E376-Q380 PolarHBondContact O-N 2.94Å
377Q82.4Confident79.2Confident119 Ų119121.2 Ų121.256%0.55655%0.551SS**Hα-helixtrans-71.4-35.2179.5-161.3170.813.900111.9R373 R374 E375 Q380 N381R373-Q377 VanDerWaalsContact O-CB 3.29Å; R373-Q377 WeakPolarHBondContact O-CB 3.39Å; R373-Q377 PolarHBondContact O-N 3.45Å; R374-Q377 PolarHBondContact O-N 3.02Å; R374-Q377 VanDerWaalsContact O-N 3.15Å; E375-Q377 VanDerWaalsContact C-N 3.32Å; E375-Q377 PolarHBondContact O-N 2.95Å; Q377-Q380 PolarHBondContact O-N 2.93Å; Q377-N381 WeakPolarHBondContact O-CB 3.49Å; Q377-N381 VanDerWaalsContact O-CG 3.26Å; Q377-N381 PolarHBondContact O-N 3.42Å; Q377-N381 PolarHBondContact O-ND2 3.28Å
378E87.9Confident80.5Confident121 Ų121125.5 Ų125.557%0.56557%0.566SS**Hα-helixtrans-67.4-43.2173.3-75.1178.7177.500111.9R374 E375 Q380 N381 Q382R374-E378 WeakPolarHBondContact O-CG 3.38Å; R374-E378 PolarHBondContact O-N 3.47Å; E375-E378 PolarHBondContact O-N 3.02Å; E378-Q380 VanDerWaalsContact C-N 3.32Å; E378-Q380 PolarHBondContact O-N 3.49Å; E378-N381 PolarHBondContact O-N 2.93Å; E378-Q382 WeakPolarHBondContact O-CG 3.46Å; E378-Q382 PolarHBondContact O-N 3.33Å
379V87.4Confident81.9Confident67 Ų67123.7 Ų123.741%0.40656%0.557SS.*Hα-helixtrans-62.5-39.9174.7172.10000111.1E375 Q382 K383E375-V379 VanDerWaalsContact O-CG2 3.31Å; E375-V379 WeakPolarHBondContact O-CG2 3.36Å; E375-V379 PolarHBondContact O-N 3.06Å; V379-Q382 PolarHBondContact O-N 2.95Å; V379-K383 HydrophobicContact CG1-CD 4.38Å; V379-K383 WeakPolarHBondContact O-CG 3.24Å; V379-K383 PolarHBondContact O-N 3.36Å
380Q81.3Confident83.7Confident119 Ų119123.5 Ų123.556%0.55656%0.557SS**Hα-helixtrans-65.4-38174.7-76.3-176.712.800112.6E376 Q377 E378 R384E376-Q380 WeakPolarHBondContact O-CG 3.22Å; E376-Q380 PolarHBondContact O-N 2.94Å; Q377-Q380 PolarHBondContact O-N 2.93Å; E378-Q380 VanDerWaalsContact C-N 3.32Å; E378-Q380 PolarHBondContact O-N 3.49Å; Q380-R384 WeakPolarHBondContact O-CG 3.42Å; Q380-R384 PolarHBondContact O-N 3.43Å; Q380-R384 VanDerWaalsContact O-N 3.08Å
381N84.3Confident84.7Confident86 Ų86124.5 Ų124.546%0.4656%0.563SS.*Hα-helixtrans-69.4-36.9177-75.7-17.5000112.2Q377 E378 R384 K385Q377-N381 WeakPolarHBondContact O-CB 3.49Å; Q377-N381 VanDerWaalsContact O-CG 3.26Å; Q377-N381 PolarHBondContact O-N 3.42Å; Q377-N381 PolarHBondContact O-ND2 3.28Å; E378-N381 PolarHBondContact O-N 2.93Å; N381-R384 PolarHBondContact O-N 2.74Å; N381-K385 WeakPolarHBondContact O-CG 3.48Å; N381-K385 PolarHBondContact O-N 3Å; N381-K385 VanDerWaalsContact O-N 3.13Å
382Q87.3Confident85.7Confident119 Ų119123.1 Ų123.156%0.55656%0.561SS**Hα-helixtrans-63.8-47.6173.4-74.7175.7100111.3E378 V379 R384 K385 E386E378-Q382 WeakPolarHBondContact O-CG 3.46Å; E378-Q382 PolarHBondContact O-N 3.33Å; V379-Q382 PolarHBondContact O-N 2.95Å; Q382-R384 VanDerWaalsContact C-N 3.28Å; Q382-R384 PolarHBondContact O-N 3.21Å; Q382-K385 WeakPolarHBondContact O-CB 3.33Å; Q382-K385 PolarHBondContact O-N 3.35Å; Q382-E386 PolarHBondContact O-N 3.49Å
383K85.4Confident87Confident126 Ų126125.7 Ų125.755%0.54857%0.568SS.*Hα-helixtrans-59-37.4176.2-73.1178.3179.9-179.10113V379 V387V379-K383 HydrophobicContact CG1-CD 4.38Å; V379-K383 WeakPolarHBondContact O-CG 3.24Å; V379-K383 PolarHBondContact O-N 3.36Å; K383-V387 VanDerWaalsContact O-CG2 3.31Å; K383-V387 WeakPolarHBondContact O-CG2 3.46Å; K383-V387 PolarHBondContact O-N 2.96Å; K383-V387 VanDerWaalsContact O-N 3.14Å
384R87.2Confident87.8Confident183 Ų183123.1 Ų123.169%0.69157%0.565SS**Hα-helixtrans-65.1-40.9174.8-79-179.6-179.3-96.71112.3Q380 N381 Q382 V387 E388Q380-R384 WeakPolarHBondContact O-CG 3.42Å; Q380-R384 PolarHBondContact O-N 3.43Å; Q380-R384 VanDerWaalsContact O-N 3.08Å; N381-R384 PolarHBondContact O-N 2.74Å; Q382-R384 VanDerWaalsContact C-N 3.28Å; Q382-R384 PolarHBondContact O-N 3.21Å; R384-V387 PolarHBondContact O-N 3.24Å; R384-E388 WeakPolarHBondContact O-CB 3.27Å; R384-E388 PolarHBondContact O-N 2.98Å
385K89.9Confident88.3Confident142 Ų142121 Ų12162%0.61756%0.563SS**Hα-helixtrans-66-40.7176.9-72.9179.1178.3-176.70112N381 Q382 E388 E389N381-K385 WeakPolarHBondContact O-CG 3.48Å; N381-K385 PolarHBondContact O-N 3Å; N381-K385 VanDerWaalsContact O-N 3.13Å; Q382-K385 WeakPolarHBondContact O-CB 3.33Å; Q382-K385 PolarHBondContact O-N 3.35Å; K385-E388 PolarHBondContact O-N 2.89Å; K385-E389 WeakPolarHBondContact O-CG 3.43Å; K385-E389 PolarHBondContact O-N 3.41Å
386E90.9Very high88.6Confident126 Ų126120.7 Ų120.759%0.58956%0.561SS**Hα-helixtrans-60.7-45.8175.8-72.3174.817500111.7Q382 E388 E389 E390Q382-E386 PolarHBondContact O-N 3.49Å; E386-E388 VanDerWaalsContact C-N 3.33Å; E386-E388 PolarHBondContact O-N 3.49Å; E386-E389 PolarHBondContact O-N 3.48Å; E386-E390 WeakPolarHBondContact O-CB 3.47Å; E386-E390 PolarHBondContact O-N 2.95Å
387V91.1Very high89.1Confident93 Ų93121 Ų12156%0.56456%0.563SS**Hα-helixtrans-64-38.7176.9172.70000111.7K383 R384 E390 M391K383-V387 VanDerWaalsContact O-CG2 3.31Å; K383-V387 WeakPolarHBondContact O-CG2 3.46Å; K383-V387 PolarHBondContact O-N 2.96Å; K383-V387 VanDerWaalsContact O-N 3.14Å; R384-V387 PolarHBondContact O-N 3.24Å; V387-E390 PolarHBondContact O-N 3.46Å; V387-M391 WeakPolarHBondContact O-CB 3.47Å; V387-M391 PolarHBondContact O-N 3.44Å
388E88.4Confident89.5Confident142 Ų142122.1 Ų122.166%0.66457%0.568SS**Hα-helixtrans-66.6-41177.1-170.4177.8170.200111.9R384 K385 E386 M391 K392R384-E388 WeakPolarHBondContact O-CB 3.27Å; R384-E388 PolarHBondContact O-N 2.98Å; K385-E388 PolarHBondContact O-N 2.89Å; E386-E388 VanDerWaalsContact C-N 3.33Å; E386-E388 PolarHBondContact O-N 3.49Å; E388-M391 PolarHBondContact O-N 3.11Å; E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 PolarHBondContact O-N 2.96Å
389E92.3Very high89.5Confident115 Ų115121.9 Ų121.954%0.53757%0.567SS.*Hα-helixtrans-65.8-40.1174.3-75.5-166.3174.600112.4K385 E386 K392 R393K385-E389 WeakPolarHBondContact O-CG 3.43Å; K385-E389 PolarHBondContact O-N 3.41Å; E386-E389 PolarHBondContact O-N 3.48Å; E389-K392 PolarHBondContact O-N 2.79Å; E389-R393 WeakPolarHBondContact O-CG 3.36Å; E389-R393 PolarHBondContact O-N 3.31Å
390E93.1Very high89.8Confident122 Ų122126.8 Ų126.857%0.5758%0.578SS**Hα-helixtrans-63.7-45.6176.1-169.6178.7-173.100111.2E386 V387 K392 R393 L394E386-E390 WeakPolarHBondContact O-CB 3.47Å; E386-E390 PolarHBondContact O-N 2.95Å; V387-E390 PolarHBondContact O-N 3.46Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 2.93Å; E390-R393 PolarHBondContact O-N 3.47Å; E390-R393 VanDerWaalsContact O-N 3.16Å; E390-L394 WeakPolarHBondContact O-CG 3.31Å; E390-L394 PolarHBondContact O-N 3.33Å
391M88.4Confident90.3Very high127 Ų127123.3 Ų123.363%0.62657%0.57SS**Hα-helixtrans-61-37.9175.8-171.9174.4179.200111.8V387 E388 M395V387-M391 WeakPolarHBondContact O-CB 3.47Å; V387-M391 PolarHBondContact O-N 3.44Å; E388-M391 PolarHBondContact O-N 3.11Å; M391-M395 WeakPolarHBondContact O-CB 3.48Å; M391-M395 PolarHBondContact O-N 2.96Å
392K93.1Very high90.6Very high139 Ų139125.7 Ų125.760%0.60458%0.578SS**Hα-helixtrans-67.8-38.1176-168.5175.3-177.7179.10112.3E388 E389 E390 M395 Q396E388-K392 WeakPolarHBondContact O-CB 3.46Å; E388-K392 PolarHBondContact O-N 2.96Å; E389-K392 PolarHBondContact O-N 2.79Å; E390-K392 VanDerWaalsContact C-N 3.28Å; E390-K392 PolarHBondContact O-N 2.93Å; K392-M395 PolarHBondContact O-N 3.42Å; K392-Q396 WeakPolarHBondContact O-CG 3.46Å; K392-Q396 PolarHBondContact O-N 2.86Å; K392-Q396 VanDerWaalsContact O-N 3.09Å
393R95.2Very high90.8Very high173 Ų173124.1 Ų124.165%0.65357%0.571SS**Hα-helixtrans-64.8-45.9174.7-73.2178.8-170.2-169.16.1111.4E389 E390 M395 Q396 E397E389-R393 WeakPolarHBondContact O-CG 3.36Å; E389-R393 PolarHBondContact O-N 3.31Å; E390-R393 PolarHBondContact O-N 3.47Å; E390-R393 VanDerWaalsContact O-N 3.16Å; R393-M395 VanDerWaalsContact C-N 3.33Å; R393-M395 PolarHBondContact O-N 3.07Å; R393-Q396 PolarHBondContact O-N 3.14Å; R393-E397 PolarHBondContact O-N 3.43Å
394L93.4Very high91Very high102 Ų102124.8 Ų124.853%0.53458%0.576SS.*Hα-helixtrans-60.9-41.2176.8-71.8171.7000112.1E390 Q396 E397 Q398E390-L394 WeakPolarHBondContact O-CG 3.31Å; E390-L394 PolarHBondContact O-N 3.33Å; L394-Q396 PolarHBondContact O-N 3.15Å; L394-E397 PolarHBondContact O-N 3.15Å; L394-Q398 WeakPolarHBondContact O-CB 3.46Å; L394-Q398 PolarHBondContact O-N 2.82Å
395M89.1Confident91.1Very high101 Ų101125.3 Ų125.350%0.49858%0.578SS.*Hα-helixtrans-63.7-40.3176.3-173.7177.9-78.500112.1M391 K392 R393 Q398 Q399M391-M395 WeakPolarHBondContact O-CB 3.48Å; M391-M395 PolarHBondContact O-N 2.96Å; K392-M395 PolarHBondContact O-N 3.42Å; R393-M395 VanDerWaalsContact C-N 3.33Å; R393-M395 PolarHBondContact O-N 3.07Å; M395-Q398 PolarHBondContact O-N 2.91Å; M395-Q399 WeakPolarHBondContact O-CG 3.41Å; M395-Q399 PolarHBondContact O-N 3.33Å
396Q90.8Very high91.1Very high90 Ų90126 Ų12642%0.42158%0.577SS.*Hα-helixtrans-67.8-37.8175.8-74.4-178.9-6.800112.6K392 R393 L394 Q399 R400K392-Q396 WeakPolarHBondContact O-CG 3.46Å; K392-Q396 PolarHBondContact O-N 2.86Å; K392-Q396 VanDerWaalsContact O-N 3.09Å; R393-Q396 PolarHBondContact O-N 3.14Å; L394-Q396 PolarHBondContact O-N 3.15Å; Q396-Q399 PolarHBondContact O-N 3.37Å; Q396-R400 WeakPolarHBondContact O-CG 3.45Å; Q396-R400 PolarHBondContact O-N 3.29Å
397E93.2Very high91.2Very high130 Ų130125.2 Ų125.261%0.60757%0.571SS**Hα-helixtrans-65.2-42.3175.7-170.6176.1-179.300111.3R393 L394 Q399 R400 A401R393-E397 PolarHBondContact O-N 3.43Å; L394-E397 PolarHBondContact O-N 3.15Å; E397-Q399 VanDerWaalsContact C-N 3.35Å; E397-Q399 PolarHBondContact O-N 3.23Å; E397-R400 PolarHBondContact O-N 3.5Å; E397-A401 WeakPolarHBondContact O-CB 3.35Å; E397-A401 PolarHBondContact O-N 2.97Å
398Q89.1Confident91Very high141 Ų141126.2 Ų126.266%0.65957%0.573SS**Hα-helixtrans-61.1-42.9175.2-166.5-179.32400111.9L394 M395 A401 E402L394-Q398 WeakPolarHBondContact O-CB 3.46Å; L394-Q398 PolarHBondContact O-N 2.82Å; M395-Q398 PolarHBondContact O-N 2.91Å; Q398-A401 PolarHBondContact O-N 2.96Å; Q398-E402 WeakPolarHBondContact O-CB 3.37Å; Q398-E402 PolarHBondContact O-N 3.11Å
399Q89.3Confident90.9Very high117 Ų117125.5 Ų125.555%0.54757%0.569SS.*Hα-helixtrans-63.2-40.9175.7-74.8177-7.500112.3M395 Q396 E397 E402 E403M395-Q399 WeakPolarHBondContact O-CG 3.41Å; M395-Q399 PolarHBondContact O-N 3.33Å; Q396-Q399 PolarHBondContact O-N 3.37Å; E397-Q399 VanDerWaalsContact C-N 3.35Å; E397-Q399 PolarHBondContact O-N 3.23Å; Q399-E402 PolarHBondContact O-N 3.31Å; Q399-E403 PolarHBondContact O-N 3.36Å
400R92.1Very high90.7Very high169 Ų169124.2 Ų124.264%0.63856%0.563SS**Hα-helixtrans-65.4-41.4175.7-73.1178.4-171.7177.94.5111.9Q396 E397 E402 E403 Q404Q396-R400 WeakPolarHBondContact O-CG 3.45Å; Q396-R400 PolarHBondContact O-N 3.29Å; E397-R400 PolarHBondContact O-N 3.5Å; R400-E402 VanDerWaalsContact C-N 3.32Å; R400-E403 PolarHBondContact O-N 3.43Å; R400-Q404 WeakPolarHBondContact O-CG 3.27Å; R400-Q404 PolarHBondContact O-N 3.33Å
401A91.9Very high90.2Very high47 Ų47123.8 Ų123.839%0.38856%0.561SS.*Hα-helixtrans-63.8-39.7176.600000111.5E397 Q398 Q404 R405E397-A401 WeakPolarHBondContact O-CB 3.35Å; E397-A401 PolarHBondContact O-N 2.97Å; Q398-A401 PolarHBondContact O-N 2.96Å; A401-Q404 PolarHBondContact O-N 3.11Å; A401-R405 WeakPolarHBondContact O-CG 3.35Å; A401-R405 PolarHBondContact O-N 3.08Å
402E90.8Very high89.9Confident135 Ų135124.6 Ų124.663%0.63156%0.558SS**Hα-helixtrans-65.5-42.6175.3-169.2175.8179.600111.9Q398 Q399 R400 Q404 R405 R406Q398-E402 WeakPolarHBondContact O-CB 3.37Å; Q398-E402 PolarHBondContact O-N 3.11Å; Q399-E402 PolarHBondContact O-N 3.31Å; R400-E402 VanDerWaalsContact C-N 3.32Å; E402-Q404 PolarHBondContact O-N 3.47Å; E402-R405 PolarHBondContact O-N 3.36Å; E402-R406 PolarHBondContact O-N 2.99Å
403E91.6Very high89.3Confident86 Ų86125.1 Ų125.140%0.40256%0.556SS.*Hα-helixtrans-63.2-41.1175.2-164.3-168.3150.700112Q399 R400 R406 K407Q399-E403 PolarHBondContact O-N 3.36Å; R400-E403 PolarHBondContact O-N 3.43Å; E403-R406 PolarHBondContact O-N 2.94Å; E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 3.37Å; E403-K407 VanDerWaalsContact OE1-CE 3.24Å; E403-K407 WeakPolarHBondContact OE1-CE 3.47Å; E403-K407 IonicContact OE1-NZ 3.95Å; E403-K407 PolarHBondContact OE1-NZ 3.16Å
404Q90.1Very high88.5Confident141 Ų141121.9 Ų121.966%0.65955%0.548SS*.Hα-helixtrans-63.4-41.6174.8-77.3-175.8-28.700112R400 A401 E402 R406 K407 L408R400-Q404 WeakPolarHBondContact O-CG 3.27Å; R400-Q404 PolarHBondContact O-N 3.33Å; A401-Q404 PolarHBondContact O-N 3.11Å; E402-Q404 PolarHBondContact O-N 3.47Å; Q404-R406 VanDerWaalsContact C-N 3.33Å; Q404-R406 PolarHBondContact O-N 3.05Å; Q404-K407 PolarHBondContact O-N 3.44Å; Q404-L408 PolarHBondContact O-N 2.98Å
405R89.5Confident87.7Confident193 Ų193123.3 Ų123.373%0.72855%0.552SS**Hα-helixtrans-61.9-41.6174.2-74.8-175.476.8-139-0.1111.6A401 E402 L408 E409A401-R405 WeakPolarHBondContact O-CG 3.35Å; A401-R405 PolarHBondContact O-N 3.08Å; E402-R405 PolarHBondContact O-N 3.36Å; R405-L408 PolarHBondContact O-N 3.3Å; R405-E409 WeakPolarHBondContact O-CB 3.49Å; R405-E409 PolarHBondContact O-N 3.1Å
406R90.8Very high86.9Confident157 Ų157124.2 Ų124.259%0.59256%0.555SS**Hα-helixtrans-63.2-42.2177.2-162.4-177.779.1-159.43112E402 E403 Q404 E409 E410E402-R406 PolarHBondContact O-N 2.99Å; E403-R406 PolarHBondContact O-N 2.94Å; Q404-R406 VanDerWaalsContact C-N 3.33Å; Q404-R406 PolarHBondContact O-N 3.05Å; R406-E409 PolarHBondContact O-N 2.88Å; R406-E410 WeakPolarHBondContact O-CB 3.45Å; R406-E410 PolarHBondContact O-N 3Å
407K91.6Very high85.8Confident109 Ų109126.7 Ų126.747%0.47457%0.566SS.*Hα-helixtrans-63.8-40.4175.9-75177.9-175.9165.30112.4E403 Q404 E409 E410 Q411E403-K407 WeakPolarHBondContact O-CG 3.4Å; E403-K407 PolarHBondContact O-N 3.37Å; E403-K407 VanDerWaalsContact OE1-CE 3.24Å; E403-K407 WeakPolarHBondContact OE1-CE 3.47Å; E403-K407 IonicContact OE1-NZ 3.95Å; E403-K407 PolarHBondContact OE1-NZ 3.16Å; Q404-K407 PolarHBondContact O-N 3.44Å; K407-E409 VanDerWaalsContact C-N 3.34Å; K407-E410 PolarHBondContact O-N 3.09Å; K407-Q411 PolarHBondContact O-N 2.93Å
408L87.9Confident84.3Confident115 Ų115127.7 Ų127.760%0.60257%0.571SS**Hα-helixtrans-65.7-38.9176.3-173.968.4000111.7Q404 R405 R412Q404-L408 PolarHBondContact O-N 2.98Å; R405-L408 PolarHBondContact O-N 3.3Å; L408-R412 PolarHBondContact O-N 2.94Å
409E86.3Confident82.7Confident126 Ų126124.2 Ų124.259%0.58957%0.573SS**Hα-helixtrans-67.6-36.7176.2-171.5169.4-167.300112.1R405 R406 K407 R412 R413R405-E409 WeakPolarHBondContact O-CB 3.49Å; R405-E409 PolarHBondContact O-N 3.1Å; R406-E409 PolarHBondContact O-N 2.88Å; K407-E409 VanDerWaalsContact C-N 3.34Å; E409-R412 PolarHBondContact O-N 3.31Å; E409-R413 PolarHBondContact O-N 3.03Å; E409-R413 VanDerWaalsContact O-N 3.11Å
410E86.9Confident81Confident88 Ų88128.8 Ų128.841%0.41159%0.587SS.*Hα-helixtrans-67.3-44.8174.4-168.1163.1-152.800111.9R406 K407 R412 R413 E414R406-E410 WeakPolarHBondContact O-CB 3.45Å; R406-E410 PolarHBondContact O-N 3Å; K407-E410 PolarHBondContact O-N 3.09Å; E410-R412 VanDerWaalsContact C-N 3.34Å; E410-R412 PolarHBondContact O-N 3.02Å; E410-R413 WeakPolarHBondContact O-CB 3.2Å; E410-R413 PolarHBondContact O-N 2.86Å; E410-R413 VanDerWaalsContact O-N 3.11Å; E410-E414 PolarHBondContact O-N 3.01Å
411Q84.3Confident79.2Confident113 Ų113129.4 Ų129.453%0.52860%0.597SS.*Hα-helixtrans-58.2-44172.2-83.1-175.7-27.800112.3K407 R413 E414 E415K407-Q411 PolarHBondContact O-N 2.93Å; Q411-R413 PolarHBondContact O-N 2.74Å; Q411-E414 PolarHBondContact O-N 2.76Å; Q411-E414 VanDerWaalsContact O-N 3.16Å; Q411-E415 WeakPolarHBondContact O-CG 3.49Å; Q411-E415 PolarHBondContact O-N 3.25Å
412R81.4Confident77.5Confident144 Ų144134.7 Ų134.754%0.54362%0.618SS.*Hα-helixtrans-62.2-34.4177.8-155.6-174.878.5-150.4-5.7111.8L408 E409 E410 E416L408-R412 PolarHBondContact O-N 2.94Å; E409-R412 PolarHBondContact O-N 3.31Å; E410-R412 VanDerWaalsContact C-N 3.34Å; E410-R412 PolarHBondContact O-N 3.02Å; R412-E416 IonicContact NE-OE1 3.64Å; R412-E416 PolarHBondContact NE-OE1 3.37Å; R412-E416 WeakPolarHBondContact O-CB 3.3Å; R412-E416 VanDerWaalsContact O-CG 3.31Å; R412-E416 WeakPolarHBondContact O-CG 3.5Å; R412-E416 PolarHBondContact O-N 3.02Å
413R80.6Confident75.6Confident151 Ų151136.1 Ų136.157%0.5763%0.627SS**Hα-helixtrans-71-35.9176.4-162.3-18073.6-162.6-2.9112.2E409 E410 Q411 Q417E409-R413 PolarHBondContact O-N 3.03Å; E409-R413 VanDerWaalsContact O-N 3.11Å; E410-R413 WeakPolarHBondContact O-CB 3.2Å; E410-R413 PolarHBondContact O-N 2.86Å; E410-R413 VanDerWaalsContact O-N 3.11Å; Q411-R413 PolarHBondContact O-N 2.74Å; R413-Q417 WeakPolarHBondContact O-CB 3.4Å; R413-Q417 PolarHBondContact O-N 2.91Å
414E78.4Confident73.8Confident104 Ų104136.9 Ų136.949%0.48664%0.639SS.*Hα-helixtrans-68.2-43.5174.4-70.8175.7167.400111.4E410 Q411 E416 Q417 E418E410-E414 PolarHBondContact O-N 3.01Å; Q411-E414 PolarHBondContact O-N 2.76Å; Q411-E414 VanDerWaalsContact O-N 3.16Å; E414-E416 VanDerWaalsContact C-N 3.35Å; E414-E416 PolarHBondContact O-N 3.18Å; E414-Q417 WeakPolarHBondContact O-CA 3.44Å; E414-Q417 WeakPolarHBondContact O-CB 3.5Å; E414-Q417 PolarHBondContact O-N 3.47Å; E414-E418 PolarHBondContact O-N 3.03Å
415E75.4Confident72.2Confident133 Ų133138 Ų13862%0.62165%0.65SS**Hα-helixtrans-61.1-40.6174.2-71.6177.4174.900112.3Q411 Q417 G419Q411-E415 WeakPolarHBondContact O-CG 3.49Å; Q411-E415 PolarHBondContact O-N 3.25Å; E415-Q417 PolarHBondContact O-N 3.26Å; E415-G419 PolarHBondContact O-N 2.92Å; E415-G419 VanDerWaalsContact O-N 3.08Å
416E72.3Confident70.5Confident120 Ų120136.6 Ų136.656%0.56166%0.656SS**Hα-helixtrans-64.7-26173.7-78171.9-16300112.4R412 E414R412-E416 IonicContact NE-OE1 3.64Å; R412-E416 PolarHBondContact NE-OE1 3.37Å; R412-E416 WeakPolarHBondContact O-CB 3.3Å; R412-E416 VanDerWaalsContact O-CG 3.31Å; R412-E416 WeakPolarHBondContact O-CG 3.5Å; R412-E416 PolarHBondContact O-N 3.02Å; E414-E416 VanDerWaalsContact C-N 3.35Å; E414-E416 PolarHBondContact O-N 3.18Å
417Q68.3Low68.5Low141 Ų141137.4 Ų137.466%0.65967%0.667SS**Hα-helixtrans-87.9-34.4-178.5-15915921.200112.5R413 E414 E415R413-Q417 WeakPolarHBondContact O-CB 3.4Å; R413-Q417 PolarHBondContact O-N 2.91Å; E414-Q417 WeakPolarHBondContact O-CA 3.44Å; E414-Q417 WeakPolarHBondContact O-CB 3.5Å; E414-Q417 PolarHBondContact O-N 3.47Å; E415-Q417 PolarHBondContact O-N 3.26Å
418E62.2Low66.7Low152 Ų152139.5 Ų139.571%0.7168%0.683SS**Hα-helixtrans-74.8-27.8172.8-71.5-174.1166.500112.7E414 Y420 E421E414-E418 PolarHBondContact O-N 3.03Å; E418-Y420 PolarHBondContact O-N 3.08Å; E418-Y420 VanDerWaalsContact O-N 3.08Å; E418-E421 PolarHBondContact O-N 3.42Å
419G54.3Low64.9Low67 Ų67142.5 Ų142.569%0.69169%0.694SS**THydrogen-bonded Turntrans-67.9-2.8178.400000115.9E415E415-G419 PolarHBondContact O-N 2.92Å; E415-G419 VanDerWaalsContact O-N 3.08Å
420Y54.8Low63.2Low214 Ų214143.8 Ų143.884%0.83971%0.705SS**THydrogen-bonded Turntrans-106-5-177.4-137.2-89.6000114.1E418E418-Y420 PolarHBondContact O-N 3.08Å; E418-Y420 VanDerWaalsContact O-N 3.08Å
421E54.8Low61.3Low182 Ų182144.4 Ų144.485%0.8573%0.725SS**SBendtrans-92.4-8.4-176.7-74.2-165.5159.700115.2E418E418-E421 PolarHBondContact O-N 3.42Å
422D54.7Low59.7Low157 Ų157146 Ų14684%0.8474%0.737SS**  trans-121.553.6-172.1-152.820.2000113.8
423M52.3Low58Low165 Ų165144.6 Ų144.681%0.81374%0.744SS**  trans-123.1107.3169-142.5-167.265.600110.3
424P52.6Low56.1Low102 Ų102150 Ų15066%0.66278%0.776SS**  trans-69.3132.8179.226.3-31.8000111L426P424-L426 PolarHBondContact O-N 3.11Å; P424-L426 VanDerWaalsContact O-N 3.11Å
425D56.5Low55Low164 Ų164152.3 Ų152.388%0.87779%0.791SS**  trans-55111.9173.4-85.8-32.6000110
426L54.2Low53.9Low165 Ų165153.3 Ų153.386%0.86480%0.8SS**  trans-86.3111.3170.7-84.6164.1000108.5P424 D428P424-L426 PolarHBondContact O-N 3.11Å; P424-L426 VanDerWaalsContact O-N 3.11Å; L426-D428 PolarHBondContact O-N 3.37Å
427E49.9Very low52.9Low174 Ų174155.1 Ų155.181%0.81381%0.813SS**  trans-54.1122.2170.5-66.6177.1149.200110.8Q429E427-Q429 PolarHBondContact O-N 3.19Å
428D53.4Low52Low153 Ų153155.9 Ų155.982%0.81882%0.822SS**  trans-63.5109.7167.2-71.3-48.1000109.3L426L426-D428 PolarHBondContact O-N 3.37Å
429Q48.6Very low51.4Low177 Ų177156.2 Ų156.283%0.82783%0.829SS**  trans-103.2102.6160.2-84.9-177.714.200109.3E427E427-Q429 PolarHBondContact O-N 3.19Å
430D51.5Low51.2Low153 Ų153162.1 Ų162.182%0.81884%0.838SS**  trans-49.3129.6162.2-64.4-52.3000111.1
431A46.7Very low50.9Low102 Ų102158.4 Ų158.484%0.84384%0.838SS**  trans-131.592.2159.300000108.3
432D49.8Very low50.6Low146 Ų146156.6 Ų156.678%0.78184%0.837SS**  trans-59.4137.5166.9-94.5-35.8000112.5
433V46.8Very low50.3Low114 Ų114156.6 Ų156.669%0.69184%0.837SS**  71.9129.1128.1-175.90000121
434E41.4Very low50.1Low264 Ų264155.8 Ų155.8100%1.23484%0.839SS**  trans80.50158.7-83.7176.4-179.900121.1

Retrieved 434 of 434 residues in 288 ms (Link to these results)

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