A0A087XMJ4_POEFO Loading...

Homocysteine-inducible, endoplasmic reticulum stress-inducible, ubiquitin-like domain member 1

AlphaFold DB , UniProt , Accession A0A087XMJ4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 410 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
1M44.9Very low57.9Low235 Ų235134.6 Ų134.6100%1.15868%0.683SS**  0106.90-78.1-166.9179.200104.5
2D38Very low60.4Low140 Ų140126.8 Ų126.875%0.74965%0.65SS**  trans-121.9155.1-148.3-70.8-105000110.4
3L45.5Very low62.6Low158 Ų158117.1 Ų117.183%0.82760%0.6SS**  trans41.4108.8165.4-79.573.1000117
4E42.3Very low64.5Low170 Ų170111.1 Ų111.179%0.79457%0.57SS**  -163.986.5101.3-99.2-158.3106.300109.8S6E4-S6 PolarHBondContact O-N 2.99Å
5D43.7Very low66.2Low155 Ų155103.7 Ų103.783%0.82953%0.532SS*.  trans-75.674.6162.9-168.59.2000108.5Q7D5-Q7 VanDerWaalsContact C-N 3.27Å; D5-Q7 PolarHBondContact O-N 3.35Å
6S50.2Low67.6Low55 Ų55100.9 Ų100.939%0.38552%0.515SS..  trans-72.978-168.9-170.30000110.6E4 Q8 K33E4-S6 PolarHBondContact O-N 2.99Å; S6-Q8 PolarHBondContact O-N 3.23Å; S6-K33 PolarHBondContact O-NZ 2.89Å; S6-K33 PolarHBondContact OG-NZ 2.86Å
7Q53.4Low68.6Low173 Ų17396.1 Ų96.181%0.80849%0.491SS*.  trans-32.1103.8-170.2-72.9-161.6-2000112.6D5 K9D5-Q7 VanDerWaalsContact C-N 3.27Å; D5-Q7 PolarHBondContact O-N 3.35Å; Q7-K9 PolarHBondContact O-N 3.08Å
8Q65.6Low69Low138 Ų13895.8 Ų95.865%0.64550%0.496SS*.  trans-71.3100.9178.5-68.6177.34.800107.4S6 T10S6-Q8 PolarHBondContact O-N 3.23Å; Q8-T10 PolarHBondContact O-N 3.02Å
9K80.9Confident68.9Low143 Ų14397 Ų9762%0.62250%0.504SS*.  trans-69.284.1176.6-173.2-176.7177.2-175.40108.5Q7 M32Q7-K9 PolarHBondContact O-N 3.08Å; K9-M32 HydrophobicContact CB-CB 4.32Å; K9-M32 HydrophobicContact CD-CE 4.11Å; K9-M32 HydrophobicContact CG-CE 4.2Å; K9-M32 WeakPolarHBondContact O-CB 3.34Å; K9-M32 PolarHBondContact O-N 3.28Å; K9-M32 VanDerWaalsContact O-N 3.07Å
10T86.1Confident68.7Low74 Ų74101.3 Ų101.345%0.45452%0.521SS..EExtended strand (participates in β ladder)trans-73.5155.8173.351.90000111Q8 V30Q8-T10 PolarHBondContact O-N 3.02Å; T10-V30 CarbonylContact C-O 3.59Å; T10-V30 VanDerWaalsContact CA-O 3.27Å; T10-V30 WeakPolarHBondContact CA-O 3.38Å
11T86.6Confident68.3Low40 Ų40100.2 Ų100.225%0.24553%0.528CS..EExtended strand (participates in β ladder)trans-146.8145.3176.4-76.60000110.2V30 M32 P82T11-V30 PolarHBondContact N-O 2.86Å; T11-V30 WeakPolarHBondContact O-CB 3.45Å; T11-V30 PolarHBondContact O-N 3.16Å; T11-M32 HydrophobicContact CG2-CE 4.4Å; T11-M32 WeakPolarHBondContact OG1-CE 3.39Å; T11-P82 HydrophobicContact CG2-CG 4.38Å
12S87.7Confident69.4Low40 Ų4093 Ų9328%0.2849%0.491SS..EExtended strand (participates in β ladder)trans-78137.9172.7-48.90000110.1I27 D28 P82S12-I27 WeakPolarHBondContact CA-O 3.46Å; S12-D28 WeakPolarHBondContact CB-OD1 3.5Å; S12-D28 PolarHBondContact OG-OD1 2.94Å; S12-P82 WeakPolarHBondContact O-CD 3.48Å
13L89.1Confident71.2Confident1 Ų194.4 Ų94.41%0.00549%0.493CS..EExtended strand (participates in β ladder)trans-129.8151171.769.583.5000111.6V15 I26 I27 V30 L39 F75 P82 L84L13-V15 HydrophobicContact CD1-CG2 3.37Å; L13-I26 CarbonylContact O-C 3.51Å; L13-I26 WeakPolarHBondContact O-CA 3.41Å; L13-I27 HydrophobicContact CD1-CB 4.44Å; L13-I27 PolarHBondContact N-O 2.67Å; L13-I27 PolarHBondContact O-N 2.86Å; L13-V30 HydrophobicContact CD2-CB 4.23Å; L13-V30 HydrophobicContact CD2-CG1 4.12Å; L13-V30 HydrophobicContact CD2-CG2 3.79Å; L13-V30 HydrophobicContact CG-CG2 4.24Å; L13-L39 HydrophobicContact CD2-CD1 3.88Å; L13-L39 HydrophobicContact CD2-CD2 4.12Å; L13-F75 HydrophobicContact CB-CE2 4.43Å; L13-F75 HydrophobicContact CD2-CE2 3.96Å; L13-F75 HydrophobicContact CD2-CZ 4.22Å; L13-P82 HydrophobicContact CB-CG 3.9Å; L13-L84 HydrophobicContact CD1-CB 4.25Å; L13-L84 HydrophobicContact CD1-CD2 4.07Å
14L89.5Confident73.1Confident34 Ų3490.8 Ų90.818%0.17848%0.475CS..EExtended strand (participates in β ladder)trans-101.7107.2-178.1-177.368.3000110.3K16 D24 I26 I81 P82 T83 L84L14-K16 HydrophobicContact CG-CG 4.44Å; L14-D24 HydrophobicContact CD1-CB 4.03Å; L14-I26 HydrophobicContact CD1-CG1 3.69Å; L14-I81 HydrophobicContact CB-CG2 3.95Å; L14-P82 PolarHBondContact N-O 3.16Å; L14-T83 HydrophobicContact CD2-CG2 4.41Å; L14-L84 PolarHBondContact O-N 2.88Å
15V89.9Confident75Confident0 Ų085 Ų850%045%0.448CS..EExtended strand (participates in β ladder)trans-86117.9175.1-175.10000110.7L13 D24 Q25 I27 L43 Y47 L84 L86L13-V15 HydrophobicContact CD1-CG2 3.37Å; V15-D24 WeakPolarHBondContact O-CA 3.47Å; V15-Q25 PolarHBondContact N-O 3.02Å; V15-Q25 PolarHBondContact O-N 2.99Å; V15-I27 HydrophobicContact CB-CD1 4.48Å; V15-I27 HydrophobicContact CG2-CD1 3.54Å; V15-I27 HydrophobicContact CG2-CG1 4.13Å; V15-L43 HydrophobicContact CG2-CD2 3.92Å; V15-Y47 HydrophobicContact CB-CE2 4.13Å; V15-Y47 HydrophobicContact CG1-CD2 4.31Å; V15-Y47 HydrophobicContact CG1-CE2 3.8Å; V15-L84 CarbonylContact C-O 3.59Å; V15-L84 WeakPolarHBondContact CA-O 3.46Å; V15-L84 HydrophobicContact CG2-CD2 4.36Å; V15-L86 HydrophobicContact CG1-CB 3.48Å; V15-L86 VanDerWaalsContact CG1-CB 3.48Å; V15-L86 HydrophobicContact CG1-CD2 3.88Å; V15-L86 HydrophobicContact CG1-CG 4.35Å
16K88.9Confident77.1Confident59 Ų5982.1 Ų82.126%0.25743%0.431SS..EExtended strand (participates in β ladder)trans-105.7146.5170.6-51.4-155.1174.9-130.60110.7L14 D24 T83 L84 H85 L86L14-K16 HydrophobicContact CG-CG 4.44Å; K16-D24 WeakPolarHBondContact CA-OD1 3.37Å; K16-D24 VanDerWaalsContact CB-OD1 3.3Å; K16-D24 WeakPolarHBondContact CB-OD1 3.4Å; K16-D24 WeakPolarHBondContact CD-OD1 3.39Å; K16-D24 WeakPolarHBondContact CE-OD2 3.09Å; K16-D24 HydrophobicContact CG-CB 4.37Å; K16-D24 WeakPolarHBondContact CG-OD1 3.48Å; K16-D24 IonicContact NZ-OD2 2.66Å; K16-D24 PolarHBondContact NZ-OD2 3.12Å; K16-T83 HydrophobicContact CD-CG2 3.83Å; K16-T83 HydrophobicContact CG-CG2 3.87Å; K16-L84 PolarHBondContact N-O 3.06Å; K16-H85 CarbonylContact O-C 3.52Å; K16-H85 WeakPolarHBondContact O-CA 3.3Å; K16-L86 PolarHBondContact O-N 2.87Å
17T84.3Confident78.8Confident19 Ų1979.9 Ų79.912%0.11742%0.415CS..  trans-108.1146.7171.565.60000111.2N19 Q22 Y47T17-N19 PolarHBondContact O-N 2.96Å; T17-Q22 HydrophobicContact CG2-CB 4.37Å; T17-Q22 PolarHBondContact OG1-O 3.34Å; T17-Y47 HydrophobicContact CG2-CE1 4.22Å; T17-Y47 WeakPolarHBondContact CG2-OH 3.09Å
18P75Confident80.3Confident90 Ų9076.5 Ų76.558%0.58440%0.402SS*.THydrogen-bonded Turntrans-70-14.9-177.330.5-38.7000113.8L86 V87P18-L86 VanDerWaalsContact CD-O 3.24Å; P18-L86 WeakPolarHBondContact CD-O 3.43Å; P18-V87 HydrophobicContact CG-CG1 4.39Å; P18-V87 HydrophobicContact CG-CG2 4.08Å
19N66.5Low81.1Confident119 Ų11971.6 Ų71.664%0.63639%0.389SS*.THydrogen-bonded Turntrans-90.5-9.6-171.1-159.725.6000113.5T17 A21T17-N19 PolarHBondContact O-N 2.96Å; N19-A21 PolarHBondContact O-N 2.89Å
20Q65.3Low81.4Confident182 Ų18264.9 Ų64.985%0.8536%0.36SS*.SBendtrans55.2-11.1-170.7-62.4-176.4-8.200116.4Q22Q20-Q22 PolarHBondContact O-N 2.82Å
21A60.6Low81.5Confident80 Ų8062 Ų6266%0.66134%0.341SS*.SBendtrans-73.11.2177.200000114.8N19N19-A21 PolarHBondContact O-N 2.89Å
22Q68.6Low81.5Confident83 Ų8360.8 Ų60.839%0.38833%0.333SS..SBendtrans-135.5127.6170.5-71.1175.29.400107.4T17 Q20T17-Q22 HydrophobicContact CG2-CB 4.37Å; T17-Q22 PolarHBondContact OG1-O 3.34Å; Q20-Q22 PolarHBondContact O-N 2.82Å
23E76.1Confident81.4Confident170 Ų17064.2 Ų64.279%0.79434%0.343SS*.  trans-61.7150.6-177.8-63.4-179.416100112Q25E23-Q25 PolarHBondContact O-N 3.33Å; E23-Q25 PolarHBondContact O-NE2 3.16Å
24D84.5Confident81.5Confident81 Ų8167.4 Ų67.443%0.43336%0.355SS..  trans-63.1123.5175.2-66.7-25000109.7L14 V15 K16L14-D24 HydrophobicContact CD1-CB 4.03Å; V15-D24 WeakPolarHBondContact O-CA 3.47Å; K16-D24 WeakPolarHBondContact CA-OD1 3.37Å; K16-D24 VanDerWaalsContact CB-OD1 3.3Å; K16-D24 WeakPolarHBondContact CB-OD1 3.4Å; K16-D24 WeakPolarHBondContact CD-OD1 3.39Å; K16-D24 WeakPolarHBondContact CE-OD2 3.09Å; K16-D24 HydrophobicContact CG-CB 4.37Å; K16-D24 WeakPolarHBondContact CG-OD1 3.48Å; K16-D24 IonicContact NZ-OD2 2.66Å; K16-D24 PolarHBondContact NZ-OD2 3.12Å
25Q83.1Confident81.6Confident50 Ų5067 Ų6723%0.23435%0.354CS..EExtended strand (participates in β ladder)trans-113.4128.8-175.1-79158.465.100111.4V15 E23 Y47V15-Q25 PolarHBondContact N-O 3.02Å; V15-Q25 PolarHBondContact O-N 2.99Å; E23-Q25 PolarHBondContact O-N 3.33Å; E23-Q25 PolarHBondContact O-NE2 3.16Å; Q25-Y47 HydrophobicContact CB-CE2 4.12Å; Q25-Y47 VanDerWaalsContact CD-CE2 3.47Å; Q25-Y47 HydrophobicContact CG-CE2 4.38Å; Q25-Y47 PolarHBondContact NE2-OH 2.98Å
26I87.3Confident81.7Confident93 Ų9367 Ų6748%0.47735%0.354SS..EExtended strand (participates in β ladder)trans-79.4131.6166.8-57.1176.1000107.8L13 L14L13-I26 CarbonylContact O-C 3.51Å; L13-I26 WeakPolarHBondContact O-CA 3.41Å; L14-I26 HydrophobicContact CD1-CG1 3.69Å
27I86.6Confident81.7Confident8 Ų869.9 Ų69.94%0.04137%0.367CS..EExtended strand (participates in β ladder)trans-119.3111.2175.6-60.9-177.4000107.7S12 L13 V15 V30 L43 V46 Y47S12-I27 WeakPolarHBondContact CA-O 3.46Å; L13-I27 HydrophobicContact CD1-CB 4.44Å; L13-I27 PolarHBondContact N-O 2.67Å; L13-I27 PolarHBondContact O-N 2.86Å; V15-I27 HydrophobicContact CB-CD1 4.48Å; V15-I27 HydrophobicContact CG2-CD1 3.54Å; V15-I27 HydrophobicContact CG2-CG1 4.13Å; I27-V30 HydrophobicContact CG2-CG2 4.13Å; I27-L43 HydrophobicContact CD1-CD2 3.34Å; I27-V46 HydrophobicContact CG2-CG1 4.39Å; I27-Y47 HydrophobicContact CD1-CD2 4.2Å
28D84.1Confident82Confident103 Ų10372.4 Ų72.455%0.55138%0.379SS*.EExtended strand (participates in β ladder)trans-86.8162.2177.7-59.7-51.2000111.7S12S12-D28 WeakPolarHBondContact CB-OD1 3.5Å; S12-D28 PolarHBondContact OG-OD1 2.94Å
29G82.8Confident82.7Confident35 Ų3568.1 Ų68.136%0.36135%0.352SS..EExtended strand (participates in β ladder)trans81.716.6172.300000115.7D31G29-D31 PolarHBondContact O-N 2.81Å
30V86.4Confident83.9Confident1 Ų163.2 Ų63.21%0.00633%0.325CS..EExtended strand (participates in β ladder)trans-80.3114.9176.6-176.50000109.8T10 T11 L13 I27 W34 L39 I71T10-V30 CarbonylContact C-O 3.59Å; T10-V30 VanDerWaalsContact CA-O 3.27Å; T10-V30 WeakPolarHBondContact CA-O 3.38Å; T11-V30 PolarHBondContact N-O 2.86Å; T11-V30 WeakPolarHBondContact O-CB 3.45Å; T11-V30 PolarHBondContact O-N 3.16Å; L13-V30 HydrophobicContact CD2-CB 4.23Å; L13-V30 HydrophobicContact CD2-CG1 4.12Å; L13-V30 HydrophobicContact CD2-CG2 3.79Å; L13-V30 HydrophobicContact CG-CG2 4.24Å; I27-V30 HydrophobicContact CG2-CG2 4.13Å; V30-W34 HydrophobicContact CB-CZ3 4.33Å; V30-W34 HydrophobicContact CG1-CE3 3.82Å; V30-W34 HydrophobicContact CG1-CZ3 3.97Å; V30-W34 HydrophobicContact CG2-CZ3 4.46Å; V30-L39 HydrophobicContact CG1-CD1 4.1Å; V30-L39 HydrophobicContact CG2-CD1 4.31Å; V30-I71 HydrophobicContact CG1-CG2 4.36Å
31D88.3Confident85Confident13 Ų1355.9 Ų55.97%0.0730%0.295CS..EExtended strand (participates in β ladder)trans-71.1130.4-179.4-179.1-0.4000111.5G29 K33 W34G29-D31 PolarHBondContact O-N 2.81Å; D31-K33 PolarHBondContact O-N 2.91Å; D31-K33 VanDerWaalsContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CB 3.47Å; D31-K33 PolarHBondContact OD1-N 3.28Å; D31-W34 HydrophobicContact CB-CD2 4.05Å; D31-W34 HydrophobicContact CB-CG 4.07Å; D31-W34 HydrophobicContact CB-CZ2 4.18Å; D31-W34 WeakPolarHBondContact O-CB 3.18Å; D31-W34 PolarHBondContact O-N 3.36Å; D31-W34 VanDerWaalsContact O-N 3.13Å
32M86.4Confident86.4Confident15 Ų1553.4 Ų53.47%0.07427%0.27CS..THydrogen-bonded Turntrans-56.8-26175.7-14965.359.700113.8K9 T11 W34 I71 N72 F75K9-M32 HydrophobicContact CB-CB 4.32Å; K9-M32 HydrophobicContact CD-CE 4.11Å; K9-M32 HydrophobicContact CG-CE 4.2Å; K9-M32 WeakPolarHBondContact O-CB 3.34Å; K9-M32 PolarHBondContact O-N 3.28Å; K9-M32 VanDerWaalsContact O-N 3.07Å; T11-M32 HydrophobicContact CG2-CE 4.4Å; T11-M32 WeakPolarHBondContact OG1-CE 3.39Å; M32-W34 VanDerWaalsContact C-N 3.34Å; M32-I71 HydrophobicContact SD-CG2 4.27Å; M32-N72 HydrophobicContact CG-CB 3.77Å; M32-N72 WeakPolarHBondContact O-CB 3.31Å; M32-N72 PolarHBondContact O-N 2.54Å; M32-F75 HydrophobicContact SD-CB 4.33Å
33K86.1Confident87.3Confident112 Ų11249.4 Ų49.449%0.48725%0.251SS..THydrogen-bonded Turntrans-74.2-20.7179.6-63.6172.1178.7172.50113.2S6 D31 H70S6-K33 PolarHBondContact O-NZ 2.89Å; S6-K33 PolarHBondContact OG-NZ 2.86Å; D31-K33 PolarHBondContact O-N 2.91Å; D31-K33 VanDerWaalsContact O-N 3.16Å; D31-K33 WeakPolarHBondContact OD1-CB 3.47Å; D31-K33 PolarHBondContact OD1-N 3.28Å; K33-H70 PolarHBondContact O-ND1 2.96Å
34W90.7Very high87.8Confident68 Ų6842.9 Ų42.926%0.25822%0.224SC..  trans-63.2159.1-176.1-73.80.1000113.6V30 D31 M32 D38 H42 H70 I71V30-W34 HydrophobicContact CB-CZ3 4.33Å; V30-W34 HydrophobicContact CG1-CE3 3.82Å; V30-W34 HydrophobicContact CG1-CZ3 3.97Å; V30-W34 HydrophobicContact CG2-CZ3 4.46Å; D31-W34 HydrophobicContact CB-CD2 4.05Å; D31-W34 HydrophobicContact CB-CG 4.07Å; D31-W34 HydrophobicContact CB-CZ2 4.18Å; D31-W34 WeakPolarHBondContact O-CB 3.18Å; D31-W34 PolarHBondContact O-N 3.36Å; D31-W34 VanDerWaalsContact O-N 3.13Å; M32-W34 VanDerWaalsContact C-N 3.34Å; W34-D38 HydrophobicContact CB-CB 3.99Å; W34-D38 HydrophobicContact CD2-CB 4.35Å; W34-D38 HydrophobicContact CG-CB 4Å; W34-H42 HydrophobicContact CE3-CB 4.49Å; W34-H42 HydrophobicContact CH2-CB 4.31Å; W34-H42 AromaticContact CH2-CE1 3.99Å; W34-H42 AromaticContact CH2-CG 3.99Å; W34-H42 AromaticContact CH2-ND1 3.39Å; W34-H42 WeakPolarHBondContact CH2-ND1 3.24Å; W34-H42 HydrophobicContact CZ3-CB 3.75Å; W34-H42 AromaticContact CZ3-CG 3.66Å; W34-H42 AromaticContact CZ3-ND1 3.57Å; W34-H70 PolarHBondContact O-ND1 2.82Å; W34-I71 HydrophobicContact CB-CG1 4.06Å; W34-I71 WeakPolarHBondContact O-CG1 3.35Å; W34-I71 PolarHBondContact O-N 2.86Å
35T92.2Very high87.8Confident27 Ų2747.2 Ų47.217%0.16624%0.235CC..BIsolated β-bridgetrans-90.8165.4164.468.60000111.3K37 D38 L39 L69T35-K37 PolarHBondContact O-N 2.95Å; T35-K37 WeakPolarHBondContact OG1-CB 3.38Å; T35-K37 PolarHBondContact OG1-N 3.04Å; T35-D38 WeakPolarHBondContact CB-OD2 3.01Å; T35-D38 PolarHBondContact N-OD2 3.08Å; T35-D38 PolarHBondContact O-N 2.92Å; T35-D38 VanDerWaalsContact OG1-CG 3.26Å; T35-D38 PolarHBondContact OG1-N 3.47Å; T35-D38 PolarHBondContact OG1-OD2 3.11Å; T35-L39 PolarHBondContact O-N 3.48Å; T35-L69 CarbonylContact C-O 3.56Å; T35-L69 WeakPolarHBondContact CA-O 3.48Å
36V91.3Very high87.9Confident0 Ų048.7 Ų48.70%025%0.247CC..Hα-helixtrans-54.3-33.4169.1166.40000111.7K40 L58 L65 P66 L69 L74V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.99Å; V36-L58 HydrophobicContact CG1-CD1 4.29Å; V36-L65 HydrophobicContact CG1-CB 3.93Å; V36-L65 HydrophobicContact CG2-CB 4Å; V36-L65 HydrophobicContact CG2-CD1 4.22Å; V36-P66 WeakPolarHBondContact CB-O 3.15Å; V36-L69 HydrophobicContact CG2-CB 4.08Å; V36-L69 WeakPolarHBondContact CG2-O 3.46Å; V36-L69 PolarHBondContact N-O 3.49Å; V36-L74 HydrophobicContact CG2-CD1 3.99Å
37K90.4Very high87.7Confident119 Ų11944.3 Ų44.352%0.51722%0.224SC..Hα-helixtrans-65.2-42.7174.4-169.5-174179.1-173.40112.7T35 K40 A41 D67T35-K37 PolarHBondContact O-N 2.95Å; T35-K37 WeakPolarHBondContact OG1-CB 3.38Å; T35-K37 PolarHBondContact OG1-N 3.04Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.43Å; K37-A41 PolarHBondContact O-N 3.33Å; K37-D67 HydrophobicContact CB-CB 4.08Å; K37-D67 WeakPolarHBondContact CB-O 3.42Å; K37-D67 PolarHBondContact N-O 2.9Å; K37-D67 VanDerWaalsContact N-O 3.12Å
38D90.4Very high87.3Confident71 Ų7148.1 Ų48.138%0.3825%0.249SC..Hα-helixtrans-70.4-37.9179.2-51.8-53.2000110.8W34 T35 A41 H42W34-D38 HydrophobicContact CB-CB 3.99Å; W34-D38 HydrophobicContact CD2-CB 4.35Å; W34-D38 HydrophobicContact CG-CB 4Å; T35-D38 WeakPolarHBondContact CB-OD2 3.01Å; T35-D38 PolarHBondContact N-OD2 3.08Å; T35-D38 PolarHBondContact O-N 2.92Å; T35-D38 VanDerWaalsContact OG1-CG 3.26Å; T35-D38 PolarHBondContact OG1-N 3.47Å; T35-D38 PolarHBondContact OG1-OD2 3.11Å; D38-A41 CarbonylContact O-C 3.55Å; D38-A41 WeakPolarHBondContact O-CB 3.35Å; D38-A41 PolarHBondContact O-N 3.23Å; D38-A41 VanDerWaalsContact O-N 3.16Å; D38-H42 PolarHBondContact O-N 2.93Å
39L89.8Confident86.8Confident0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-57.4-47.5168.4173.659.4000111L13 V30 T35 A41 H42 L43 L58 I71 L84L13-L39 HydrophobicContact CD2-CD1 3.88Å; L13-L39 HydrophobicContact CD2-CD2 4.12Å; V30-L39 HydrophobicContact CG1-CD1 4.1Å; V30-L39 HydrophobicContact CG2-CD1 4.31Å; T35-L39 PolarHBondContact O-N 3.48Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.85Å; L39-H42 CarbonylContact O-C 3.56Å; L39-H42 WeakPolarHBondContact O-CA 3.18Å; L39-H42 WeakPolarHBondContact O-CB 3.41Å; L39-H42 PolarHBondContact O-N 3.28Å; L39-L43 HydrophobicContact CD1-CD1 4.17Å; L39-L43 HydrophobicContact CD1-CD2 4.25Å; L39-L43 HydrophobicContact CD1-CG 3.9Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.91Å; L39-L58 HydrophobicContact CD2-CD1 3.88Å; L39-L58 HydrophobicContact CG-CD1 4.06Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD2-CD1 3.7Å; L39-L84 HydrophobicContact CD2-CD2 4.15Å
40K90.9Very high86.6Confident17 Ų1751.3 Ų51.37%0.07426%0.255CS..Hα-helixtrans-58.6-39.3174.7-70.9174.9-179.7-174.10112.5V36 K37 H42 L43 S44 I53 Q56 L58 D67V36-K40 WeakPolarHBondContact O-CG 3.49Å; V36-K40 PolarHBondContact O-N 2.99Å; K37-K40 WeakPolarHBondContact O-CB 3.32Å; K37-K40 PolarHBondContact O-N 3.43Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 3.23Å; K40-L43 PolarHBondContact O-N 2.66Å; K40-S44 WeakPolarHBondContact O-CB 3.47Å; K40-S44 PolarHBondContact O-N 3.4Å; K40-I53 HydrophobicContact CB-CG2 3.95Å; K40-I53 HydrophobicContact CD-CG2 4.38Å; K40-Q56 VanDerWaalsContact CA-OE1 3.23Å; K40-Q56 HydrophobicContact CD-CB 4.17Å; K40-Q56 WeakPolarHBondContact CE-O 3.27Å; K40-Q56 HydrophobicContact CG-CB 4.09Å; K40-Q56 PolarHBondContact NZ-O 2.92Å; K40-Q56 PolarHBondContact O-NE2 3.12Å; K40-Q56 PolarHBondContact O-OE1 2.6Å; K40-L58 HydrophobicContact CG-CD1 3.62Å; K40-L58 HydrophobicContact CG-CG 3.99Å; K40-D67 WeakPolarHBondContact CE-OD1 3Å; K40-D67 IonicContact NZ-OD1 2.66Å; K40-D67 PolarHBondContact NZ-OD1 2.88Å
41A88.9Confident86.4Confident28 Ų2851.9 Ų51.923%0.23126%0.259CS..Hα-helixtrans-68.7-27.6175.300000113.3K37 D38 L39 R45 I53K37-A41 PolarHBondContact O-N 3.33Å; D38-A41 CarbonylContact O-C 3.55Å; D38-A41 WeakPolarHBondContact O-CB 3.35Å; D38-A41 PolarHBondContact O-N 3.23Å; D38-A41 VanDerWaalsContact O-N 3.16Å; L39-A41 VanDerWaalsContact C-N 3.28Å; L39-A41 PolarHBondContact O-N 2.85Å; A41-R45 PolarHBondContact O-NE 3.26Å; A41-I53 HydrophobicContact CB-CD1 3.76Å
42H88.9Confident86.2Confident27 Ų2753.6 Ų53.613%0.12528%0.275CS..Hα-helixtrans-74.2-50.1170.5-17797.3000111.4W34 D38 L39 K40 S44 R45 V46W34-H42 HydrophobicContact CE3-CB 4.49Å; W34-H42 HydrophobicContact CH2-CB 4.31Å; W34-H42 AromaticContact CH2-CE1 3.99Å; W34-H42 AromaticContact CH2-CG 3.99Å; W34-H42 AromaticContact CH2-ND1 3.39Å; W34-H42 WeakPolarHBondContact CH2-ND1 3.24Å; W34-H42 HydrophobicContact CZ3-CB 3.75Å; W34-H42 AromaticContact CZ3-CG 3.66Å; W34-H42 AromaticContact CZ3-ND1 3.57Å; D38-H42 PolarHBondContact O-N 2.93Å; L39-H42 CarbonylContact O-C 3.56Å; L39-H42 WeakPolarHBondContact O-CA 3.18Å; L39-H42 WeakPolarHBondContact O-CB 3.41Å; L39-H42 PolarHBondContact O-N 3.28Å; K40-H42 VanDerWaalsContact C-N 3.32Å; K40-H42 PolarHBondContact O-N 3.23Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3Å; H42-R45 PolarHBondContact O-N 2.96Å; H42-V46 PolarHBondContact O-N 3.13Å
43L87.9Confident86.2Confident0 Ų056 Ų560%029%0.288CS..Hα-helixtrans-55.7-39.9175.4-66.9176.6000112.2V15 I27 L39 K40 R45 Y47 L58 L84V15-L43 HydrophobicContact CG2-CD2 3.92Å; I27-L43 HydrophobicContact CD1-CD2 3.34Å; L39-L43 HydrophobicContact CD1-CD1 4.17Å; L39-L43 HydrophobicContact CD1-CD2 4.25Å; L39-L43 HydrophobicContact CD1-CG 3.9Å; L39-L43 HydrophobicContact CG-CD1 4.05Å; L39-L43 HydrophobicContact CG-CG 4.25Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.43Å; L39-L43 PolarHBondContact O-N 2.91Å; K40-L43 PolarHBondContact O-N 2.66Å; L43-R45 PolarHBondContact O-N 3.16Å; L43-R45 VanDerWaalsContact O-N 3.08Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 2.99Å; L43-L58 HydrophobicContact CD1-CD1 3.89Å; L43-L58 HydrophobicContact CD1-CD2 3.59Å; L43-L58 HydrophobicContact CD1-CG 4.41Å; L43-L84 HydrophobicContact CD1-CD2 4.18Å
44S86.5Confident86Confident32 Ų3254.4 Ų54.422%0.22430%0.302CS..Hα-helixtrans-59.3-19.8175.9-175.40000114.1K40 H42 P51K40-S44 WeakPolarHBondContact O-CB 3.47Å; K40-S44 PolarHBondContact O-N 3.4Å; H42-S44 VanDerWaalsContact C-N 3.28Å; H42-S44 PolarHBondContact O-N 3Å; S44-P51 WeakPolarHBondContact CB-O 3.24Å; S44-P51 PolarHBondContact OG-O 3.43Å
45R85.6Confident85.7Confident173 Ų17353 Ų5365%0.65330%0.3SS*.Hα-helixtrans-104.2-42.9-178.2-69.2177.4-75.2166.8-1.2112.5A41 H42 L43A41-R45 PolarHBondContact O-NE 3.26Å; H42-R45 PolarHBondContact O-N 2.96Å; L43-R45 PolarHBondContact O-N 3.16Å; L43-R45 VanDerWaalsContact O-N 3.08Å
46V84.6Confident85.5Confident80 Ų8051.8 Ų51.849%0.48529%0.292SS..Hα-helixtrans-87-34.4-174.3178.80000112.3I27 H42I27-V46 HydrophobicContact CG2-CG1 4.39Å; H42-V46 PolarHBondContact O-N 3.13Å
47Y82Confident85.3Confident1 Ų159.2 Ų59.20%0.00432%0.321CS..SBendtrans-77.3132.9-174-158.4-104.1000111.9V15 T17 Q25 I27 L43 S49 K50 L86V15-Y47 HydrophobicContact CB-CE2 4.13Å; V15-Y47 HydrophobicContact CG1-CD2 4.31Å; V15-Y47 HydrophobicContact CG1-CE2 3.8Å; T17-Y47 HydrophobicContact CG2-CE1 4.22Å; T17-Y47 WeakPolarHBondContact CG2-OH 3.09Å; Q25-Y47 HydrophobicContact CB-CE2 4.12Å; Q25-Y47 VanDerWaalsContact CD-CE2 3.47Å; Q25-Y47 HydrophobicContact CG-CE2 4.38Å; Q25-Y47 PolarHBondContact NE2-OH 2.98Å; I27-Y47 HydrophobicContact CD1-CD2 4.2Å; L43-Y47 WeakPolarHBondContact O-CB 3.33Å; L43-Y47 PolarHBondContact O-N 2.99Å; Y47-S49 VanDerWaalsContact C-N 3.29Å; Y47-S49 VanDerWaalsContact CD1-OG 3.24Å; Y47-S49 WeakPolarHBondContact CD1-OG 3.34Å; Y47-S49 WeakPolarHBondContact CE1-OG 3.39Å; Y47-S49 PolarHBondContact O-N 2.96Å; Y47-S49 VanDerWaalsContact O-N 3.11Å; Y47-K50 PolarHBondContact O-N 3.07Å; Y47-L86 HydrophobicContact CD1-CD2 3.67Å; Y47-L86 HydrophobicContact CD2-CD2 4.36Å; Y47-L86 HydrophobicContact CE1-CD2 3.82Å; Y47-L86 HydrophobicContact CE2-CD2 4.47Å; Y47-L86 HydrophobicContact CG-CD2 3.98Å
48P78.5Confident85.3Confident88 Ų8853.6 Ų53.657%0.57130%0.296SS*.THydrogen-bonded Turntrans-55.9-33.6-170.8-30.736000116K50P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.07Å
49S73.7Confident85.3Confident54 Ų5452.6 Ų52.638%0.37829%0.29SS..THydrogen-bonded Turntrans-80.9-1.9178.8610000114.5Y47 P51Y47-S49 VanDerWaalsContact C-N 3.29Å; Y47-S49 VanDerWaalsContact CD1-OG 3.24Å; Y47-S49 WeakPolarHBondContact CD1-OG 3.34Å; Y47-S49 WeakPolarHBondContact CE1-OG 3.39Å; Y47-S49 PolarHBondContact O-N 2.96Å; Y47-S49 VanDerWaalsContact O-N 3.11Å; S49-P51 VanDerWaalsContact C-CD 3.5Å
50K79.9Confident85.3Confident151 Ų15154 Ų5466%0.65730%0.296SS*.  trans41.652.9175.4-60.6-178.5-178.31780114.5Y47 P48Y47-K50 PolarHBondContact O-N 3.07Å; P48-K50 VanDerWaalsContact C-N 3.27Å; P48-K50 PolarHBondContact O-N 3.07Å
51P81.1Confident85Confident13 Ų1357.2 Ų57.28%0.08433%0.326CS..  trans-69.8136.6-173.429.8-35.7000111.9S44 S49 Q56 L86 C88S44-P51 WeakPolarHBondContact CB-O 3.24Å; S44-P51 PolarHBondContact OG-O 3.43Å; S49-P51 VanDerWaalsContact C-CD 3.5Å; P51-Q56 HydrophobicContact CB-CG 3.78Å; P51-Q56 HydrophobicContact CG-CG 3.72Å; P51-Q56 PolarHBondContact O-NE2 2.79Å; P51-L86 HydrophobicContact CG-CD2 4.37Å; P51-C88 HydrophobicContact CB-CB 4.27Å; P51-C88 WeakPolarHBondContact CB-SG 3.32Å
52A84.8Confident84.7Confident49 Ų4959.3 Ų59.341%0.40535%0.351SS..  trans-63.8139.8178.900000111.4G54 D55 Q56A52-G54 VanDerWaalsContact C-N 3.28Å; A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.12Å; A52-D55 HydrophobicContact CB-CB 4.45Å; A52-D55 WeakPolarHBondContact O-CA 3.35Å; A52-D55 WeakPolarHBondContact O-CB 3.4Å; A52-D55 PolarHBondContact O-N 3.36Å; A52-Q56 PolarHBondContact O-N 2.81Å; A52-Q56 VanDerWaalsContact O-N 3.16Å
53I85.4Confident84.6Confident67 Ų6765.6 Ų65.634%0.34438%0.378SS..THydrogen-bonded Turntrans-52.4-41.3-171-62.9171000113.1K40 A41 Q56K40-I53 HydrophobicContact CB-CG2 3.95Å; K40-I53 HydrophobicContact CD-CG2 4.38Å; A41-I53 HydrophobicContact CB-CD1 3.76Å; I53-Q56 PolarHBondContact O-N 2.86Å
54G81.5Confident84.7Confident77 Ų7770.4 Ų70.479%0.79440%0.403SS*.THydrogen-bonded Turntrans-74.2-20.7178.200000115A52A52-G54 VanDerWaalsContact C-N 3.28Å; A52-G54 PolarHBondContact O-N 3.29Å; A52-G54 VanDerWaalsContact O-N 3.12Å
55D84.3Confident84.9Confident39 Ų3969.2 Ų69.221%0.20939%0.394CS..THydrogen-bonded Turntrans-83.2-23.4174.6-66.6-12000111.1A52 R57 P89 R91A52-D55 HydrophobicContact CB-CB 4.45Å; A52-D55 WeakPolarHBondContact O-CA 3.35Å; A52-D55 WeakPolarHBondContact O-CB 3.4Å; A52-D55 PolarHBondContact O-N 3.36Å; D55-R57 PolarHBondContact O-N 2.88Å; D55-P89 HydrophobicContact CB-CG 3.92Å; D55-P89 WeakPolarHBondContact O-CD 3.18Å; D55-R91 IonicContact OD1-NH1 2.94Å; D55-R91 PolarHBondContact OD1-NH1 2.82Å; D55-R91 IonicContact OD2-CZ 3.73Å; D55-R91 IonicContact OD2-NH1 2.67Å; D55-R91 PolarHBondContact OD2-NH1 3.23Å
56Q88.6Confident85.1Confident1 Ų163.4 Ų63.41%0.00538%0.379CS..  trans-72.1117.9-178.4-67.4-179.84200112.9K40 P51 A52 I53 L86K40-Q56 VanDerWaalsContact CA-OE1 3.23Å; K40-Q56 HydrophobicContact CD-CB 4.17Å; K40-Q56 WeakPolarHBondContact CE-O 3.27Å; K40-Q56 HydrophobicContact CG-CB 4.09Å; K40-Q56 PolarHBondContact NZ-O 2.92Å; K40-Q56 PolarHBondContact O-NE2 3.12Å; K40-Q56 PolarHBondContact O-OE1 2.6Å; P51-Q56 HydrophobicContact CB-CG 3.78Å; P51-Q56 HydrophobicContact CG-CG 3.72Å; P51-Q56 PolarHBondContact O-NE2 2.79Å; A52-Q56 PolarHBondContact O-N 2.81Å; A52-Q56 VanDerWaalsContact O-N 3.16Å; I53-Q56 PolarHBondContact O-N 2.86Å; Q56-L86 HydrophobicContact CB-CD1 4.25Å; Q56-L86 HydrophobicContact CG-CD1 4.07Å
57R88.4Confident85.3Confident157 Ų15762.8 Ų62.859%0.59237%0.373SS*.EExtended strand (participates in β ladder)trans-107.4114.6166.6-65.7178.8-177.7-123.9-1.9108.8D55 L64 V87D55-R57 PolarHBondContact O-N 2.88Å; R57-L64 HydrophobicContact CB-CD1 3.89Å; R57-L64 HydrophobicContact CG-CD1 4.37Å; R57-V87 HydrophobicContact CB-CB 4.2Å; R57-V87 PolarHBondContact N-O 2.8Å; R57-V87 PolarHBondContact O-N 2.87Å
58L90.3Very high85.6Confident0 Ų069.9 Ų69.90%041%0.405CS..EExtended strand (participates in β ladder)trans-98.1125.6178-53.4-173.5000108.8V36 L39 K40 L43 L65 L84 L86V36-L58 HydrophobicContact CG1-CD1 4.29Å; L39-L58 HydrophobicContact CD2-CD1 3.88Å; L39-L58 HydrophobicContact CG-CD1 4.06Å; K40-L58 HydrophobicContact CG-CD1 3.62Å; K40-L58 HydrophobicContact CG-CG 3.99Å; L43-L58 HydrophobicContact CD1-CD1 3.89Å; L43-L58 HydrophobicContact CD1-CD2 3.59Å; L43-L58 HydrophobicContact CD1-CG 4.41Å; L58-L65 HydrophobicContact CB-CB 4.29Å; L58-L65 HydrophobicContact CB-CD1 4.14Å; L58-L65 WeakPolarHBondContact O-CB 3.13Å; L58-L65 PolarHBondContact O-N 2.97Å; L58-L84 HydrophobicContact CB-CD1 4.3Å; L58-L84 HydrophobicContact CD1-CD2 4.26Å; L58-L84 HydrophobicContact CD2-CD2 4.15Å; L58-L86 HydrophobicContact CD2-CB 4.43Å; L58-L86 HydrophobicContact CD2-CD1 3.51Å
59I90.4Very high86.2Confident51 Ų5168 Ų6826%0.26239%0.391SS..EExtended strand (participates in β ladder)trans-120.5130.4-179.1-60.5172.6000108.6K63 L64 H85 V87I59-K63 CarbonylContact C-O 3.46Å; I59-K63 VanDerWaalsContact CA-O 3.31Å; I59-K63 WeakPolarHBondContact CA-O 3.37Å; I59-L64 HydrophobicContact CG1-CD1 3.98Å; I59-H85 HydrophobicContact CB-CB 4.16Å; I59-H85 PolarHBondContact N-O 3.14Å; I59-H85 PolarHBondContact O-N 3.38Å; I59-V87 HydrophobicContact CD1-CG2 3.89Å
60F89.3Confident87Confident28 Ų2869.5 Ų69.512%0.12339%0.391CS..EExtended strand (participates in β ladder)trans-136.3130.4-177.1172.6-98.2000109.6G62 K63 L65 L74 F75 M78 P82 T83 L84F60-G62 PolarHBondContact O-N 3.31Å; F60-G62 VanDerWaalsContact O-N 3.09Å; F60-K63 PolarHBondContact N-O 3.49Å; F60-K63 PolarHBondContact O-N 3.03Å; F60-L65 HydrophobicContact CB-CD1 3.86Å; F60-L65 HydrophobicContact CB-CD2 3.95Å; F60-L65 HydrophobicContact CB-CG 3.98Å; F60-L74 HydrophobicContact CD1-CD2 4Å; F60-L74 HydrophobicContact CE1-CD2 4.27Å; F60-F75 AromaticContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CE2-CD1 4.01Å; F60-F75 AromaticContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CZ-CD1 4.13Å; F60-F75 HydrophobicContact CZ-CE1 4.23Å; F60-M78 HydrophobicContact CE2-SD 3.81Å; F60-M78 HydrophobicContact CZ-SD 3.54Å; F60-M78 VanDerWaalsContact CZ-SD 3.54Å; F60-P82 HydrophobicContact CE2-CB 4.04Å; F60-T83 WeakPolarHBondContact CD2-O 3.38Å; F60-L84 HydrophobicContact CB-CD1 4.32Å
61A83.5Confident87.4Confident86 Ų8662.3 Ų62.371%0.71136%0.36SS*.THydrogen-bonded Turntrans46.638.4-173.500000113.6K63A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.13Å
62G83.3Confident87.6Confident72 Ų7263.8 Ų63.874%0.74237%0.367SS*.THydrogen-bonded Turntrans78.3-7-177.200000116.1F60F60-G62 PolarHBondContact O-N 3.31Å; F60-G62 VanDerWaalsContact O-N 3.09Å
63K87.4Confident87.6Confident158 Ų15866.3 Ų66.369%0.68737%0.374SS*.EExtended strand (participates in β ladder)trans-96.1136.7179-61.3-178.9-177.9177.40111.4I59 F60 A61I59-K63 CarbonylContact C-O 3.46Å; I59-K63 VanDerWaalsContact CA-O 3.31Å; I59-K63 WeakPolarHBondContact CA-O 3.37Å; F60-K63 PolarHBondContact N-O 3.49Å; F60-K63 PolarHBondContact O-N 3.03Å; A61-K63 VanDerWaalsContact C-N 3.27Å; A61-K63 PolarHBondContact O-N 3.13Å
64L89.7Confident87.3Confident102 Ų10264.2 Ų64.253%0.53436%0.363SS..EExtended strand (participates in β ladder)trans-71128169.5-177.570.4000109.5R57 I59R57-L64 HydrophobicContact CB-CD1 3.89Å; R57-L64 HydrophobicContact CG-CD1 4.37Å; I59-L64 HydrophobicContact CG1-CD1 3.98Å
65L89.8Confident87.3Confident7 Ų761.1 Ų61.14%0.03733%0.328CS..PPolyproline II helixtrans-84.7123.1-179.8-63.7-177000111.4V36 L58 F60 L69 L74 L84V36-L65 HydrophobicContact CG1-CB 3.93Å; V36-L65 HydrophobicContact CG2-CB 4Å; V36-L65 HydrophobicContact CG2-CD1 4.22Å; L58-L65 HydrophobicContact CB-CB 4.29Å; L58-L65 HydrophobicContact CB-CD1 4.14Å; L58-L65 WeakPolarHBondContact O-CB 3.13Å; L58-L65 PolarHBondContact O-N 2.97Å; F60-L65 HydrophobicContact CB-CD1 3.86Å; F60-L65 HydrophobicContact CB-CD2 3.95Å; F60-L65 HydrophobicContact CB-CG 3.98Å; L65-L69 HydrophobicContact CD2-CD2 4.31Å; L65-L74 HydrophobicContact CD1-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CD1 3.73Å; L65-L74 HydrophobicContact CD2-CD2 3.55Å; L65-L74 HydrophobicContact CD2-CG 4.3Å; L65-L74 HydrophobicContact CG-CD1 4.36Å; L65-L84 HydrophobicContact CD1-CD1 3.71Å
66P89.9Confident86.8Confident51 Ų5168 Ų6833%0.33135%0.351SS..PPolyproline II helixtrans-83.2147.2174.134.3-33.3000111.1V36 H68 L69V36-P66 WeakPolarHBondContact CB-O 3.15Å; P66-H68 PolarHBondContact O-N 2.87Å; P66-L69 HydrophobicContact CG-CB 4.21Å; P66-L69 PolarHBondContact O-N 3.27Å; P66-L69 VanDerWaalsContact O-N 3.13Å
67D90.3Very high85.6Confident67 Ų6776.7 Ų76.736%0.35839%0.392SS..THydrogen-bonded Turntrans-54.7-27.5-172.4-77.424.5000115.4K37 K40K37-D67 HydrophobicContact CB-CB 4.08Å; K37-D67 WeakPolarHBondContact CB-O 3.42Å; K37-D67 PolarHBondContact N-O 2.9Å; K37-D67 VanDerWaalsContact N-O 3.12Å; K40-D67 WeakPolarHBondContact CE-OD1 3Å; K40-D67 IonicContact NZ-OD1 2.66Å; K40-D67 PolarHBondContact NZ-OD1 2.88Å
68H88.5Confident84.6Confident149 Ų14972.8 Ų72.869%0.6938%0.381SS*.THydrogen-bonded Turntrans-85.1-8-176.259.8-110.9000114.7P66P66-H68 PolarHBondContact O-N 2.87Å
69L89.5Confident83.3Confident50 Ų5081.5 Ų81.526%0.26243%0.427SS..  trans-79.6142.9-175.3-170.259.1000111T35 V36 L65 P66 L74T35-L69 CarbonylContact C-O 3.56Å; T35-L69 WeakPolarHBondContact CA-O 3.48Å; V36-L69 HydrophobicContact CG2-CB 4.08Å; V36-L69 WeakPolarHBondContact CG2-O 3.46Å; V36-L69 PolarHBondContact N-O 3.49Å; L65-L69 HydrophobicContact CD2-CD2 4.31Å; P66-L69 HydrophobicContact CG-CB 4.21Å; P66-L69 PolarHBondContact O-N 3.27Å; P66-L69 VanDerWaalsContact O-N 3.13Å; L69-L74 HydrophobicContact CD2-CD1 4.17Å; L69-L74 HydrophobicContact CD2-CD2 3.66Å; L69-L74 HydrophobicContact CD2-CG 3.97Å; L69-L74 HydrophobicContact CG-CD1 4.4Å; L69-L74 HydrophobicContact CG-CD2 4.48Å; L69-L74 HydrophobicContact CG-CG 4.27Å
70H90.6Very high82.6Confident84 Ų8483.3 Ų83.339%0.38945%0.445SS..BIsolated β-bridgetrans-86.2146.7179.7-77.3-80.6000112.9K33 W34 N72 D73K33-H70 PolarHBondContact O-ND1 2.96Å; W34-H70 PolarHBondContact O-ND1 2.82Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.21Å; H70-D73 PolarHBondContact O-N 2.78Å
71I88.7Confident82.3Confident1 Ų185.5 Ų85.51%0.00546%0.457CS..Hα-helixtrans-64.6-37.8178.4-64.5-57000111.6V30 M32 W34 L39 D73 L74 F75V30-I71 HydrophobicContact CG1-CG2 4.36Å; M32-I71 HydrophobicContact SD-CG2 4.27Å; W34-I71 HydrophobicContact CB-CG1 4.06Å; W34-I71 WeakPolarHBondContact O-CG1 3.35Å; W34-I71 PolarHBondContact O-N 2.86Å; L39-I71 HydrophobicContact CB-CD1 4.09Å; L39-I71 HydrophobicContact CD2-CD1 3.7Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.35Å; I71-L74 PolarHBondContact O-N 2.95Å; I71-F75 HydrophobicContact CD1-CE2 4.43Å; I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.63Å; I71-F75 HydrophobicContact CG2-CG 4.43Å; I71-F75 PolarHBondContact O-N 2.9Å
72N86.3Confident82.4Confident44 Ų4481.7 Ų81.724%0.23543%0.425CS..Hα-helixtrans-48.6-49.5170.4175.669.3000113.1M32 H70 L74 F75 R76M32-N72 HydrophobicContact CG-CB 3.77Å; M32-N72 WeakPolarHBondContact O-CB 3.31Å; M32-N72 PolarHBondContact O-N 2.54Å; H70-N72 VanDerWaalsContact C-N 3.34Å; H70-N72 PolarHBondContact O-N 3.21Å; N72-L74 PolarHBondContact O-N 3.19Å; N72-F75 PolarHBondContact O-N 3.33Å; N72-R76 PolarHBondContact ND2-NH2 3.33Å; N72-R76 VanDerWaalsContact ND2-NH2 3.2Å; N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.28Å; N72-R76 PolarHBondContact OD1-NE 3.24Å; N72-R76 VanDerWaalsContact OD1-NE 3.16Å; N72-R76 PolarHBondContact OD1-NH2 3.46Å
73D83.9Confident82.7Confident101 Ų10180.6 Ų80.654%0.5440%0.404SS..Hα-helixtrans-75.7-18.6-170.7-52.6-27.6000112.1H70 I71H70-D73 PolarHBondContact O-N 2.78Å; I71-D73 VanDerWaalsContact C-N 3.32Å; I71-D73 PolarHBondContact O-N 3.35Å
74L80.1Confident82.8Confident23 Ų2373 Ų7312%0.1237%0.371CS..Hα-helixtrans-84.6-42.4174.7-69.4170.9000112.9V36 F60 L65 L69 I71 N72V36-L74 HydrophobicContact CG2-CD1 3.99Å; F60-L74 HydrophobicContact CD1-CD2 4Å; F60-L74 HydrophobicContact CE1-CD2 4.27Å; L65-L74 HydrophobicContact CD1-CD1 3.77Å; L65-L74 HydrophobicContact CD2-CD1 3.73Å; L65-L74 HydrophobicContact CD2-CD2 3.55Å; L65-L74 HydrophobicContact CD2-CG 4.3Å; L65-L74 HydrophobicContact CG-CD1 4.36Å; L69-L74 HydrophobicContact CD2-CD1 4.17Å; L69-L74 HydrophobicContact CD2-CD2 3.66Å; L69-L74 HydrophobicContact CD2-CG 3.97Å; L69-L74 HydrophobicContact CG-CD1 4.4Å; L69-L74 HydrophobicContact CG-CD2 4.48Å; L69-L74 HydrophobicContact CG-CG 4.27Å; I71-L74 PolarHBondContact O-N 2.95Å; N72-L74 PolarHBondContact O-N 3.19Å
75F80.7Confident82.8Confident13 Ų1372 Ų726%0.05736%0.363CS..Hα-helixtrans-105.8-8.1-168.3-55.8-21.1000114.1L13 M32 F60 I71 N72 Q77 M78 P82L13-F75 HydrophobicContact CB-CE2 4.43Å; L13-F75 HydrophobicContact CD2-CE2 3.96Å; L13-F75 HydrophobicContact CD2-CZ 4.22Å; M32-F75 HydrophobicContact SD-CB 4.33Å; F60-F75 AromaticContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CD2-CE1 3.98Å; F60-F75 HydrophobicContact CE2-CD1 4.01Å; F60-F75 AromaticContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CE2-CE1 3.74Å; F60-F75 HydrophobicContact CZ-CD1 4.13Å; F60-F75 HydrophobicContact CZ-CE1 4.23Å; I71-F75 HydrophobicContact CD1-CE2 4.43Å; I71-F75 HydrophobicContact CG2-CD2 3.49Å; I71-F75 VanDerWaalsContact CG2-CD2 3.49Å; I71-F75 HydrophobicContact CG2-CE2 3.63Å; I71-F75 HydrophobicContact CG2-CG 4.43Å; I71-F75 PolarHBondContact O-N 2.9Å; N72-F75 PolarHBondContact O-N 3.33Å; F75-Q77 PolarHBondContact O-N 3.2Å; F75-Q77 VanDerWaalsContact O-N 3.14Å; F75-M78 PolarHBondContact O-N 3.33Å; F75-P82 HydrophobicContact CB-CG 4.34Å; F75-P82 HydrophobicContact CD1-CB 3.37Å; F75-P82 HydrophobicContact CD1-CG 3.81Å; F75-P82 HydrophobicContact CD2-CB 4.21Å; F75-P82 HydrophobicContact CD2-CG 3.7Å; F75-P82 HydrophobicContact CE1-CB 3.44Å; F75-P82 VanDerWaalsContact CE1-CB 3.44Å; F75-P82 HydrophobicContact CE1-CG 3.99Å; F75-P82 HydrophobicContact CE2-CB 4.24Å; F75-P82 HydrophobicContact CE2-CG 3.86Å; F75-P82 HydrophobicContact CG-CB 3.81Å; F75-P82 HydrophobicContact CG-CG 3.69Å; F75-P82 HydrophobicContact CZ-CB 3.89Å; F75-P82 HydrophobicContact CZ-CG 4.02Å
76R72.9Confident82.8Confident182 Ų18271.8 Ų71.869%0.68736%0.362SS*.THydrogen-bonded Turntrans-57.8-24.6177.4169.2177.8-69.1-145.2-3.2114.7N72N72-R76 PolarHBondContact ND2-NH2 3.33Å; N72-R76 VanDerWaalsContact ND2-NH2 3.2Å; N72-R76 WeakPolarHBondContact O-CB 3.38Å; N72-R76 PolarHBondContact O-N 3.28Å; N72-R76 PolarHBondContact OD1-NE 3.24Å; N72-R76 VanDerWaalsContact OD1-NE 3.16Å; N72-R76 PolarHBondContact OD1-NH2 3.46Å
77Q64.9Low82.7Confident185 Ų18571.5 Ų71.586%0.86436%0.359SS*.THydrogen-bonded Turntrans-10123.8-174.2-151.9-170.7-5400113.4F75F75-Q77 PolarHBondContact O-N 3.2Å; F75-Q77 VanDerWaalsContact O-N 3.14Å
78M67.1Low82.3Confident75 Ų7570.4 Ų70.437%0.36936%0.357SS..  trans-131.7120.4-174-57.5-174.174.900112.7F60 F75 S80 P82F60-M78 HydrophobicContact CE2-SD 3.81Å; F60-M78 HydrophobicContact CZ-SD 3.54Å; F60-M78 VanDerWaalsContact CZ-SD 3.54Å; F75-M78 PolarHBondContact O-N 3.33Å; M78-S80 PolarHBondContact O-N 2.97Å; M78-P82 HydrophobicContact CE-CB 4.41Å; M78-P82 HydrophobicContact SD-CB 3.84Å
79D62.4Low81.5Confident182 Ų18266.8 Ų66.897%0.97335%0.346SS*.SBendtrans-83.514.2170.5-53-57.8000112.8
80S76.9Confident80.1Confident90 Ų9071.5 Ų71.563%0.62937%0.369SS*.SBendtrans-147.8160.2-173.5-173.50000111.1M78 P82M78-S80 PolarHBondContact O-N 2.97Å; S80-P82 WeakPolarHBondContact O-CD 3.36Å
81I81.8Confident78.5Confident74 Ų7476.5 Ų76.538%0.37938%0.384SS..PPolyproline II helixtrans-58.8116.7-172.9-60.1176.8000110.3L14 T83L14-I81 HydrophobicContact CB-CG2 3.95Å; I81-T83 PolarHBondContact O-N 2.85Å
82P86.3Confident76.3Confident5 Ų582 Ų823%0.03241%0.413CS..PPolyproline II helixtrans-61.4125.418021.8-32.8000111.4T11 S12 L13 L14 F60 F75 M78 S80T11-P82 HydrophobicContact CG2-CG 4.38Å; S12-P82 WeakPolarHBondContact O-CD 3.48Å; L13-P82 HydrophobicContact CB-CG 3.9Å; L14-P82 PolarHBondContact N-O 3.16Å; F60-P82 HydrophobicContact CE2-CB 4.04Å; F75-P82 HydrophobicContact CB-CG 4.34Å; F75-P82 HydrophobicContact CD1-CB 3.37Å; F75-P82 HydrophobicContact CD1-CG 3.81Å; F75-P82 HydrophobicContact CD2-CB 4.21Å; F75-P82 HydrophobicContact CD2-CG 3.7Å; F75-P82 HydrophobicContact CE1-CB 3.44Å; F75-P82 VanDerWaalsContact CE1-CB 3.44Å; F75-P82 HydrophobicContact CE1-CG 3.99Å; F75-P82 HydrophobicContact CE2-CB 4.24Å; F75-P82 HydrophobicContact CE2-CG 3.86Å; F75-P82 HydrophobicContact CG-CB 3.81Å; F75-P82 HydrophobicContact CG-CG 3.69Å; F75-P82 HydrophobicContact CZ-CB 3.89Å; F75-P82 HydrophobicContact CZ-CG 4.02Å; M78-P82 HydrophobicContact CE-CB 4.41Å; M78-P82 HydrophobicContact SD-CB 3.84Å; S80-P82 WeakPolarHBondContact O-CD 3.36Å
83T88.8Confident74.4Confident49 Ų4985.2 Ų85.230%0.30144%0.437SS..EExtended strand (participates in β ladder)trans-94.6122.1179.2-61.40000110.8L14 K16 F60 I81L14-T83 HydrophobicContact CD2-CG2 4.41Å; K16-T83 HydrophobicContact CD-CG2 3.83Å; K16-T83 HydrophobicContact CG-CG2 3.87Å; F60-T83 WeakPolarHBondContact CD2-O 3.38Å; I81-T83 PolarHBondContact O-N 2.85Å
84L89.7Confident72.4Confident0 Ų086.2 Ų86.20%045%0.449CS..EExtended strand (participates in β ladder)trans-119.8125.2-173.1-170.188.4000109.6L13 L14 V15 K16 L39 L43 L58 F60 L65L13-L84 HydrophobicContact CD1-CB 4.25Å; L13-L84 HydrophobicContact CD1-CD2 4.07Å; L14-L84 PolarHBondContact O-N 2.88Å; V15-L84 CarbonylContact C-O 3.59Å; V15-L84 WeakPolarHBondContact CA-O 3.46Å; V15-L84 HydrophobicContact CG2-CD2 4.36Å; K16-L84 PolarHBondContact N-O 3.06Å; L39-L84 HydrophobicContact CD2-CD2 4.15Å; L43-L84 HydrophobicContact CD1-CD2 4.18Å; L58-L84 HydrophobicContact CB-CD1 4.3Å; L58-L84 HydrophobicContact CD1-CD2 4.26Å; L58-L84 HydrophobicContact CD2-CD2 4.15Å; F60-L84 HydrophobicContact CB-CD1 4.32Å; L65-L84 HydrophobicContact CD1-CD1 3.71Å
85H90.1Very high70.3Confident79 Ų7995 Ų9537%0.36649%0.486SS..EExtended strand (participates in β ladder)trans-91.8115173.3-69-96.3000110.2K16 I59K16-H85 CarbonylContact O-C 3.52Å; K16-H85 WeakPolarHBondContact O-CA 3.3Å; I59-H85 HydrophobicContact CB-CB 4.16Å; I59-H85 PolarHBondContact N-O 3.14Å; I59-H85 PolarHBondContact O-N 3.38Å
86L88.9Confident68.4Low3 Ų398.5 Ų98.52%0.01652%0.518CS..EExtended strand (participates in β ladder)trans-92.1108.5175171.860.1000109.4V15 K16 P18 Y47 P51 Q56 L58V15-L86 HydrophobicContact CG1-CB 3.48Å; V15-L86 VanDerWaalsContact CG1-CB 3.48Å; V15-L86 HydrophobicContact CG1-CD2 3.88Å; V15-L86 HydrophobicContact CG1-CG 4.35Å; K16-L86 PolarHBondContact O-N 2.87Å; P18-L86 VanDerWaalsContact CD-O 3.24Å; P18-L86 WeakPolarHBondContact CD-O 3.43Å; Y47-L86 HydrophobicContact CD1-CD2 3.67Å; Y47-L86 HydrophobicContact CD2-CD2 4.36Å; Y47-L86 HydrophobicContact CE1-CD2 3.82Å; Y47-L86 HydrophobicContact CE2-CD2 4.47Å; Y47-L86 HydrophobicContact CG-CD2 3.98Å; P51-L86 HydrophobicContact CG-CD2 4.37Å; Q56-L86 HydrophobicContact CB-CD1 4.25Å; Q56-L86 HydrophobicContact CG-CD1 4.07Å; L58-L86 HydrophobicContact CD2-CB 4.43Å; L58-L86 HydrophobicContact CD2-CD1 3.51Å
87V87.5Confident66.9Low45 Ų4594.2 Ų94.227%0.27352%0.521SS..EExtended strand (participates in β ladder)trans-105.2121.1175.1-175.80000108.9P18 R57 I59P18-V87 HydrophobicContact CG-CG1 4.39Å; P18-V87 HydrophobicContact CG-CG2 4.08Å; R57-V87 HydrophobicContact CB-CB 4.2Å; R57-V87 PolarHBondContact N-O 2.8Å; R57-V87 PolarHBondContact O-N 2.87Å; I59-V87 HydrophobicContact CD1-CG2 3.89Å
88C81.9Confident65.9Low45 Ų4593.2 Ų93.230%0.30452%0.52SS..  trans-120.2130.5175.2-57.10000108.9P51 M90P51-C88 HydrophobicContact CB-CB 4.27Å; P51-C88 WeakPolarHBondContact CB-SG 3.32Å; C88-M90 PolarHBondContact O-N 3.27Å
89P72.1Confident64.5Low72 Ų7298.9 Ų98.947%0.46854%0.543SS..  trans-62.9125.4169.328.3-33.3000108.7D55 R91D55-P89 HydrophobicContact CB-CG 3.92Å; D55-P89 WeakPolarHBondContact O-CD 3.18Å; P89-R91 PolarHBondContact O-N 2.85Å
90M59.8Low63.1Low150 Ų15096.4 Ų96.474%0.73954%0.535SS*.  trans-72.493.1-177.4-164.2173.298.400110.1C88 N92C88-M90 PolarHBondContact O-N 3.27Å; M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 WeakPolarHBondContact CE-OD1 3.45Å; M90-N92 PolarHBondContact O-N 2.88Å
91R57Low61.2Low188 Ų188101.7 Ų101.771%0.70955%0.546SS*.  trans-62.893164.5-89.3179.3150.1124.4-1108.4D55 P89D55-R91 IonicContact OD1-NH1 2.94Å; D55-R91 PolarHBondContact OD1-NH1 2.82Å; D55-R91 IonicContact OD2-CZ 3.73Å; D55-R91 IonicContact OD2-NH1 2.67Å; D55-R91 PolarHBondContact OD2-NH1 3.23Å; P89-R91 PolarHBondContact O-N 2.85Å
92N43.8Very low58.9Low116 Ų116106.6 Ų106.662%0.6257%0.568SS**PPolyproline II helixtrans-48.1131.3163.2-78.1-26.3000108.3M90M90-N92 VanDerWaalsContact C-N 3.29Å; M90-N92 WeakPolarHBondContact CE-OD1 3.45Å; M90-N92 PolarHBondContact O-N 2.88Å
93P46Very low56.4Low113 Ų113110.9 Ų110.973%0.73460%0.603SS**PPolyproline II helixtrans-58.2132.2176.724.8-33.2000108.4K95P93-K95 PolarHBondContact O-N 2.76Å; P93-K95 VanDerWaalsContact O-N 3.08Å
94P41.8Very low53.6Low121 Ų121118.1 Ų118.179%0.78663%0.633SS**PPolyproline II helixtrans-60.4120-179.124.3-32.8000108.6A96P94-A96 PolarHBondContact O-N 2.66Å
95K36.5Very low50.9Low207 Ų207126.7 Ų126.790%0.967%0.673SS**PPolyproline II helixtrans-52.8117.8170.3-79.4-174.3174.8-178.90107.2P93 A97P93-K95 PolarHBondContact O-N 2.76Å; P93-K95 VanDerWaalsContact O-N 3.08Å; K95-A97 PolarHBondContact O-N 3.32Å
96A41.3Very low48.2Very low87 Ų87128.2 Ų128.272%0.71969%0.691SS**PPolyproline II helixtrans-55.1128-176.500000109.5P94 I98P94-A96 PolarHBondContact O-N 2.66Å; A96-I98 PolarHBondContact O-N 3.09Å
97A41.4Very low45.3Very low93 Ų93136.7 Ų136.777%0.76973%0.73SS**  trans-67.297.7179.100000109.2K95 K99K95-A97 PolarHBondContact O-N 3.32Å; A97-K99 PolarHBondContact O-N 2.87Å
98I43.4Very low43.5Very low164 Ų164139.9 Ų139.984%0.84175%0.751SS**  trans-63.5105.3170.1-63.3172.7000106.2A96 T100A96-I98 PolarHBondContact O-N 3.09Å; I98-T100 PolarHBondContact O-N 3.34Å
99K37.2Very low40.9Very low194 Ų194143 Ų14384%0.84377%0.773SS**  trans-66.8125.1179.2-69-175.2-178.5-176.20109.2A97A97-K99 PolarHBondContact O-N 2.87Å
100T33.4Very low39Very low130 Ų130145 Ų14580%0.79879%0.789SS**  trans-52.6137.7165.1-46.40000110.1I98I98-T100 PolarHBondContact O-N 3.34Å
101K36.2Very low37.6Very low200 Ų200143.4 Ų143.487%0.8779%0.793SS**  trans-142.8125.8156.5-157.8-176.1-176.2-1680108.5
102E33.8Very low36.6Very low178 Ų178140 Ų14083%0.83280%0.798SS**  trans-72149-178.8-66.4141.996.800112.4
103A33.1Very low37Very low94 Ų94140 Ų14078%0.77781%0.805SS**  trans-161.191.5152.300000110.2
104E31.2Very low37Very low201 Ų201140.1 Ų140.194%0.93981%0.805SS**  trans59.8150.5152.8-114146.1100.400124
105Q31.8Very low36.5Very low180 Ų180140 Ų14084%0.84180%0.802SS**  trans-82178174.6-92.3176.7-106.900111.5
106P34.5Very low36.4Very low112 Ų112138.9 Ų138.973%0.72780%0.8SS**  cis-139.1165.817.242.3-23.8000118.7
107H28.6Very low36Very low180 Ų180141 Ų14183%0.83380%0.804SS**  trans-90.4174.7153.6-74.5-118.1000109.6
108P48.4Very low36.3Very low112 Ų112142.5 Ų142.573%0.72781%0.806SS**  cis-124.3-174-0.330.2-5.8000112.1
109S27.9Very low35.7Very low110 Ų110139.9 Ų139.977%0.76980%0.802SS**  178.8164.782-77.30000113.7
110S31.5Very low35.9Very low114 Ų114136.9 Ų136.980%0.79780%0.8SS**  trans-75147.5-17253.70000117.7
111S31.4Very low36.5Very low117 Ų117136 Ų13682%0.81880%0.797SS**  -172.3140.3127.859.50000115
112S35Very low36.4Very low116 Ų116134.6 Ų134.681%0.81179%0.793SS**  trans-10.1160.8163.3-52.30000124.1
113P52.2Low36.3Very low118 Ų118132.2 Ų132.277%0.76679%0.785SS**  trans-96.5-178.6-177.245.4-40.7000112.8
114P46.5Very low36.7Very low115 Ų115137.8 Ų137.875%0.74779%0.787SS**  -159176.380.143.9-22.8000119
115V31.5Very low36.9Very low118 Ų118137.9 Ų137.972%0.71579%0.787SS**  trans61.7104.8147.5171.30000121.4
116Q33.1Very low37.1Very low183 Ų183139 Ų13986%0.85578%0.783SS**  -175.3143.4106.8-116.1148.6120.500116
117T34.9Very low37.1Very low131 Ų131144.4 Ų144.480%0.80479%0.789SS**  trans-146.7163.4165.246.10000106.4
118P46Very low37.4Very low126 Ų126142.6 Ų142.682%0.81878%0.781SS**  cis-117.6-157.415.439.9-20.9000111.5
119S31.5Very low36.7Very low108 Ų108143.2 Ų143.276%0.75578%0.783SS**  cis-155.61691653.70000115.5
120T41.1Very low36.9Very low131 Ų131143.7 Ų143.780%0.80479%0.786SS**  trans-57.9171.2172.542.70000115.6
121P46.8Very low36.9Very low111 Ų111143.8 Ų143.872%0.72179%0.787SS**  cis-144.517526.243.1-23000120.2
122E34.2Very low36.9Very low171 Ų171143.2 Ų143.280%0.79979%0.789SS**  trans41.9136.6152.8-71.9-158.4100.300123.3
123L31.3Very low36.8Very low128 Ų128141.6 Ų141.667%0.6778%0.783SS**  -175.8135.5101.5-98.5169.3000116.7
124R41.2Very low35.8Very low212 Ų212141.3 Ų141.380%0.878%0.784SS**  trans47.197.3150.5-78.7177.61751015.8121
125Q35.8Very low35Very low202 Ų202141.5 Ų141.594%0.94478%0.783SS**  trans-69.1125.7145.9-168-179.645.500109.9
126R35.2Very low35.1Very low204 Ų204143.5 Ų143.577%0.7779%0.785SS**  trans-105.598.7-176.6-167.9-175.8-169.4-172.34.8112.8Q128R126-Q128 HydrophobicContact CG-CG 4.49Å; R126-Q128 VanDerWaalsContact NE-OE1 3.13Å
127R36.1Very low35Very low226 Ų226142.3 Ų142.385%0.85378%0.782SS**  trans-78.7128.6160.9172.9-174.7-81.7177.4-5.8109.1
128Q34.3Very low34.9Very low141 Ų141143.6 Ų143.666%0.65978%0.779SS**  trans-138.9125.4157.2-78.3-165.2-74.400110.9R126R126-Q128 HydrophobicContact CG-CG 4.49Å; R126-Q128 VanDerWaalsContact NE-OE1 3.13Å
129T34.3Very low34.1Very low126 Ų126143.5 Ų143.577%0.77378%0.776SS**  trans-101.8157.7165.6450000109.4
130S31.9Very low34.3Very low119 Ų119145.4 Ų145.483%0.83277%0.773SS**  trans-157.5148.9173-69.70000107.5
131S30Very low34.2Very low116 Ų116145.1 Ų145.181%0.81177%0.772SS**  cis-149.2149.1-0-174.50000110
132A32.2Very low34.3Very low105 Ų105145.9 Ų145.987%0.86878%0.776SS**  trans-153141.8158.600000107.8
133A32.9Very low34.1Very low83 Ų83141.5 Ų141.569%0.68678%0.778SS**  trans-126.8152.5-167.700000113.1
134S31.7Very low34.4Very low111 Ų111140.1 Ų140.178%0.77678%0.784SS**  trans66.9147.8167.171.40000116
135T30.2Very low34.7Very low119 Ų119136 Ų13673%0.7379%0.785SS**  cis-154.316511.8-23.50000113
136Q32.9Very low34.7Very low160 Ų160132.2 Ų132.275%0.74878%0.776SS**  trans84.2110.5151.9-69.2-173.31000123.2
137I30.6Very low34.5Very low158 Ų158134.2 Ų134.281%0.8178%0.784SS**  76.3154.3124.4-60.3166.3000118.5
138H32.1Very low34.7Very low158 Ų158128.7 Ų128.773%0.73178%0.777SS**  trans-157.4121.9-152.3-175.888.1000114.6
139T30.7Very low34.9Very low124 Ų124126.9 Ų126.976%0.76179%0.786SS**  trans-155.7125165.526.70000107.1
140Q35.9Very low34.8Very low149 Ų149127 Ų12770%0.69679%0.792SS**  62125.166.5-63.5-168.285.800112.5
141T37.8Very low35.1Very low125 Ų125125.8 Ų125.877%0.76779%0.789SS**  cis-150.4-1649.5-4.70000111.1
142P48.8Very low35.9Very low126 Ų126126.3 Ų126.382%0.81879%0.79SS**  trans-113.4175.1-146.845.1-36.2000117.6
143G31.3Very low35.9Very low80 Ų80125.6 Ų125.683%0.82578%0.784SS**  trans-159.5135.2164.500000113.3
144A37.5Very low36.4Very low98 Ų98126.6 Ų126.681%0.8179%0.792SS**  trans-126.7166175.600000108
145P46.4Very low36.5Very low126 Ų126129.7 Ų129.782%0.81879%0.794SS**  cis-143.5-176.344.441.2-20.4000117.2
146T35.7Very low36.9Very low122 Ų122129.4 Ų129.475%0.74880%0.798SS**  trans-81.7156.4-179.751.20000115.2
147W31Very low37.1Very low247 Ų247130.1 Ų130.194%0.93680%0.801SS**  trans-133.4155.5138.4-91.983000110
148P41.5Very low37.4Very low110 Ų110130.7 Ų130.771%0.71480%0.804SS**  trans-101.8177.9-165.138.5-29.1000114
149A37.2Very low37.9Very low103 Ų103128.7 Ų128.785%0.85180%0.804SS**  trans-72.7151.9-168.700000115.8
150S32.5Very low38.4Very low128 Ų128131 Ų13190%0.89581%0.806SS**  trans-127.9144.6147.357.30000109.3
151A38.6Very low38.7Very low94 Ų94128.4 Ų128.478%0.77780%0.802SS**  trans-144.6165.8178.700000107.9
152P46.5Very low39Very low127 Ų127127.1 Ų127.183%0.82580%0.804SS**  cis-120.5160.61.239.3-26.8000114.2
153A33.2Very low39.1Very low89 Ų89127.1 Ų127.174%0.73679%0.791SS**  trans-117.1136157.200000108.5E155A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 3.1Å
154A42.9Very low39.9Very low105 Ų105128.2 Ų128.287%0.86878%0.784SS**  trans-83.275-17600000111.3S156A154-S156 PolarHBondContact O-N 3.4Å
155E33.6Very low40.5Very low175 Ų175128.5 Ų128.582%0.81879%0.786SS**  trans-67.4116.1169-69.3-170.5167.700109.7A153 Q157A153-E155 VanDerWaalsContact C-N 3.33Å; A153-E155 PolarHBondContact O-N 3.1Å; E155-Q157 PolarHBondContact O-N 2.95Å
156S39.3Very low40.8Very low114 Ų114130.1 Ų130.180%0.79779%0.787SS**  trans-70.190-178-65.40000110.1A154 L158A154-S156 PolarHBondContact O-N 3.4Å; S156-L158 PolarHBondContact O-N 2.81Å
157Q35.1Very low41.7Very low174 Ų174127.7 Ų127.781%0.81378%0.775SS**  trans-58.1107.7173.4-68.3-173.82.600109.4E155 T159E155-Q157 PolarHBondContact O-N 2.95Å; Q157-T159 PolarHBondContact O-N 3.05Å; Q157-T159 PolarHBondContact O-OG1 3.46Å
158L38.5Very low43.2Very low170 Ų170124.6 Ų124.689%0.8978%0.776SS**  trans-67.586.3169.2-12977.1000107.7S156 Q160S156-L158 PolarHBondContact O-N 2.81Å; L158-Q160 PolarHBondContact O-N 3.37Å
159T41.1Very low44.5Very low116 Ų116123.8 Ų123.871%0.71276%0.759SS**  trans-58.6108.3179.8-63.20000107.7Q157Q157-T159 PolarHBondContact O-N 3.05Å; Q157-T159 PolarHBondContact O-OG1 3.46Å
160Q41.4Very low46.8Very low174 Ų174121.6 Ų121.681%0.81374%0.738SS**  trans-56.8130.7172-71.4-165.5-1.900107.9L158 A162L158-Q160 PolarHBondContact O-N 3.37Å; Q160-A162 PolarHBondContact O-N 3.05Å
161P43Very low49.1Very low93 Ų93120.9 Ų120.960%0.60473%0.73SS**  trans-62.4111-174.524-33.1000109.3F163P161-F163 VanDerWaalsContact C-N 3.29Å; P161-F163 HydrophobicContact CG-CE2 4.05Å; P161-F163 HydrophobicContact CG-CZ 4.25Å; P161-F163 WeakPolarHBondContact O-CD2 3.43Å; P161-F163 PolarHBondContact O-N 3.02Å
162A44.9Very low51.3Low98 Ų98124.3 Ų124.381%0.8173%0.73SS**  trans-70.487.6177.900000109.3Q160Q160-A162 PolarHBondContact O-N 3.05Å
163F49.3Very low53.1Low126 Ų126122.2 Ų122.255%0.55371%0.709SS**  trans-56.1131.5175.3-67.8-81.7000109.8P161 A165 L174P161-F163 VanDerWaalsContact C-N 3.29Å; P161-F163 HydrophobicContact CG-CE2 4.05Å; P161-F163 HydrophobicContact CG-CZ 4.25Å; P161-F163 WeakPolarHBondContact O-CD2 3.43Å; P161-F163 PolarHBondContact O-N 3.02Å; F163-A165 PolarHBondContact O-N 3.35Å; F163-L174 HydrophobicContact CD1-CD2 3.94Å; F163-L174 HydrophobicContact CE1-CD2 3.89Å; F163-L174 HydrophobicContact CZ-CD2 4.44Å
164P48.8Very low55.8Low104 Ų104120.6 Ų120.668%0.67569%0.688SS**  trans-62.9138.3-179.425.8-33.9000110.4L166P164-L166 PolarHBondContact O-N 3.33Å
165A50.6Low58Low103 Ų103121 Ų12185%0.85168%0.675SS**SBendtrans-70.319.6-171.500000115.5F163F163-A165 PolarHBondContact O-N 3.35Å
166L52.3Low60.7Low161 Ų161120.3 Ų120.384%0.84367%0.665SS**  trans-108.938.5171-9078.2000111.5P164 L168P164-L166 PolarHBondContact O-N 3.33Å; L166-L168 PolarHBondContact O-N 3.42Å
167S54.7Low63.3Low70 Ų70118.9 Ų118.949%0.4965%0.648SS.*  trans-7296169.1-66.60000110.1Y169S167-Y169 PolarHBondContact O-N 2.99Å
168L61.9Low66Low183 Ų183116.2 Ų116.296%0.95864%0.635SS**  trans-67.917.7168.4-72.5168.6000113.2L166L166-L168 PolarHBondContact O-N 3.42Å
169Y68.4Low68.5Low93 Ų93113.9 Ų113.937%0.36562%0.619SS.*SBendtrans-145.3136.4-163.5-146-121.8000107.6S167 Q173 L174 L177S167-Y169 PolarHBondContact O-N 2.99Å; Y169-Q173 HydrophobicContact CD1-CB 3.98Å; Y169-Q173 HydrophobicContact CD1-CG 4.04Å; Y169-Q173 HydrophobicContact CE1-CB 3.83Å; Y169-Q173 HydrophobicContact CE1-CG 3.46Å; Y169-Q173 VanDerWaalsContact CE1-CG 3.46Å; Y169-Q173 WeakPolarHBondContact CE1-O 3.2Å; Y169-Q173 HydrophobicContact CE2-CG 4.13Å; Y169-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y169-Q173 VanDerWaalsContact CZ-NE2 3.32Å; Y169-Q173 PolarHBondContact OH-NE2 2.97Å; Y169-L174 HydrophobicContact CD1-CB 4.29Å; Y169-L177 HydrophobicContact CE1-CB 4.5Å; Y169-L177 HydrophobicContact CE1-CD2 4.44Å
170S85.7Confident70.9Confident57 Ų57110.2 Ų110.240%0.39960%0.597SS.*  trans-69.1146.3-177.5690000111.1Q172 Q173 L174S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.48Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 3.23Å; S170-Q173 WeakPolarHBondContact OG-CB 3.42Å; S170-Q173 PolarHBondContact OG-OE1 2.91Å; S170-L174 PolarHBondContact O-N 3.18Å
171P81.8Confident73.5Confident112 Ų112109.4 Ų109.473%0.72759%0.588SS**Hα-helixtrans-61.1-34.6-173.721.8-33000112.9Q173 L174 L175P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.85Å; P171-L174 PolarHBondContact O-N 3.43Å; P171-L175 PolarHBondContact O-N 2.94Å
172Q84.9Confident76Confident166 Ų166107.7 Ų107.778%0.77658%0.581SS**Hα-helixtrans-64.8-36174.2-175.9175.8-3.700112.5S170 L175 W176S170-Q172 VanDerWaalsContact C-N 3.27Å; S170-Q172 PolarHBondContact O-N 3.48Å; Q172-L175 PolarHBondContact O-N 3.49Å; Q172-W176 PolarHBondContact O-N 2.97Å
173Q84.7Confident78.2Confident83 Ų83111 Ų11139%0.38857%0.573SS.*Hα-helixtrans-76.9-31.4179.9-160.6-175.2-5.300111.6Y169 S170 P171 L177Y169-Q173 HydrophobicContact CD1-CB 3.98Å; Y169-Q173 HydrophobicContact CD1-CG 4.04Å; Y169-Q173 HydrophobicContact CE1-CB 3.83Å; Y169-Q173 HydrophobicContact CE1-CG 3.46Å; Y169-Q173 VanDerWaalsContact CE1-CG 3.46Å; Y169-Q173 WeakPolarHBondContact CE1-O 3.2Å; Y169-Q173 HydrophobicContact CE2-CG 4.13Å; Y169-Q173 VanDerWaalsContact CZ-CD 3.43Å; Y169-Q173 VanDerWaalsContact CZ-NE2 3.32Å; Y169-Q173 PolarHBondContact OH-NE2 2.97Å; S170-Q173 WeakPolarHBondContact O-CB 3.4Å; S170-Q173 PolarHBondContact O-N 3.23Å; S170-Q173 WeakPolarHBondContact OG-CB 3.42Å; S170-Q173 PolarHBondContact OG-OE1 2.91Å; P171-Q173 VanDerWaalsContact C-N 3.33Å; P171-Q173 PolarHBondContact O-N 2.85Å; Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.93Å
174L88.7Confident80.2Confident56 Ų56110.9 Ų110.929%0.29357%0.574SS.*Hα-helixtrans-65.1-43.1168.1-177.362.9000111.3F163 Y169 S170 P171 W176 L177 Q178F163-L174 HydrophobicContact CD1-CD2 3.94Å; F163-L174 HydrophobicContact CE1-CD2 3.89Å; F163-L174 HydrophobicContact CZ-CD2 4.44Å; Y169-L174 HydrophobicContact CD1-CB 4.29Å; S170-L174 PolarHBondContact O-N 3.18Å; P171-L174 PolarHBondContact O-N 3.43Å; L174-W176 VanDerWaalsContact C-N 3.34Å; L174-W176 PolarHBondContact O-N 3.43Å; L174-L177 PolarHBondContact O-N 3.22Å; L174-Q178 WeakPolarHBondContact O-CB 3.32Å; L174-Q178 PolarHBondContact O-N 3.48Å
175L90.2Very high82.3Confident114 Ų114113 Ų11360%0.59757%0.569SS**Hα-helixtrans-62.5-40.4175.5-146.777.9000111.9P171 Q172 Q178 H179P171-L175 PolarHBondContact O-N 2.94Å; Q172-L175 PolarHBondContact O-N 3.49Å; L175-Q178 PolarHBondContact O-N 2.98Å; L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.05Å
176W90Very high84.4Confident159 Ų159114.9 Ų114.960%0.60256%0.555SS**Hα-helixtrans-62.2-45.9173.3-17889.8000112Q172 L174 Q178 H179 V180Q172-W176 PolarHBondContact O-N 2.97Å; L174-W176 VanDerWaalsContact C-N 3.34Å; L174-W176 PolarHBondContact O-N 3.43Å; W176-Q178 VanDerWaalsContact C-N 3.32Å; W176-Q178 PolarHBondContact O-N 2.95Å; W176-H179 PolarHBondContact O-N 2.99Å; W176-V180 HydrophobicContact CD2-CG2 3.95Å; W176-V180 HydrophobicContact CE3-CG2 4.17Å; W176-V180 HydrophobicContact CH2-CG2 3.95Å; W176-V180 HydrophobicContact CZ2-CG2 3.71Å; W176-V180 HydrophobicContact CZ3-CG2 4.16Å; W176-V180 WeakPolarHBondContact O-CG2 3.37Å; W176-V180 PolarHBondContact O-N 3.27Å
177L93.8Very high86.2Confident84 Ų84112.8 Ų112.844%0.4454%0.543SS..Hα-helixtrans-61.1-42.3177.8-172.570.9000111.4Y169 Q173 L174 V180 Y181Y169-L177 HydrophobicContact CE1-CB 4.5Å; Y169-L177 HydrophobicContact CE1-CD2 4.44Å; Q173-L177 WeakPolarHBondContact O-CB 3.47Å; Q173-L177 PolarHBondContact O-N 2.93Å; L174-L177 PolarHBondContact O-N 3.22Å; L177-V180 PolarHBondContact O-N 3.43Å; L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.02Å
178Q91Very high87.9Confident118 Ų118116.2 Ų116.255%0.55155%0.551SS**Hα-helixtrans-61.5-44.7175-175.8179.747.900111.8L174 L175 W176 Y181 A182L174-Q178 WeakPolarHBondContact O-CB 3.32Å; L174-Q178 PolarHBondContact O-N 3.48Å; L175-Q178 PolarHBondContact O-N 2.98Å; W176-Q178 VanDerWaalsContact C-N 3.32Å; W176-Q178 PolarHBondContact O-N 2.95Å; Q178-Y181 PolarHBondContact O-N 3.12Å; Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.47Å
179H91.9Very high89.4Confident121 Ų121113.4 Ų113.456%0.5653%0.529SS*.Hα-helixtrans-64.5-44.3178.4-17884.1000112.3L175 W176 A182 R183L175-H179 WeakPolarHBondContact O-CB 3.48Å; L175-H179 PolarHBondContact O-N 3.05Å; W176-H179 PolarHBondContact O-N 2.99Å; H179-A182 PolarHBondContact O-N 3.44Å; H179-R183 WeakPolarHBondContact O-CB 3.41Å; H179-R183 PolarHBondContact O-N 3.19Å
180V91.9Very high90.3Very high40 Ų40113.1 Ų113.124%0.24253%0.53CS..Hα-helixtrans-62.6-44.9176.3171.70000111.1W176 L177 R183 Q184W176-V180 HydrophobicContact CD2-CG2 3.95Å; W176-V180 HydrophobicContact CE3-CG2 4.17Å; W176-V180 HydrophobicContact CH2-CG2 3.95Å; W176-V180 HydrophobicContact CZ2-CG2 3.71Å; W176-V180 HydrophobicContact CZ3-CG2 4.16Å; W176-V180 WeakPolarHBondContact O-CG2 3.37Å; W176-V180 PolarHBondContact O-N 3.27Å; L177-V180 PolarHBondContact O-N 3.43Å; V180-R183 PolarHBondContact O-N 2.93Å; V180-Q184 HydrophobicContact CG1-CG 4.49Å; V180-Q184 WeakPolarHBondContact O-CG 3.37Å; V180-Q184 PolarHBondContact O-N 3.34Å
181Y95.6Very high90.5Very high157 Ų157113.2 Ų113.262%0.61654%0.535SS*.Hα-helixtrans-62.3-45.6178.1-176.6-95.6000112.2L177 Q178 R183 Q184 Y185L177-Y181 WeakPolarHBondContact O-CB 3.49Å; L177-Y181 PolarHBondContact O-N 3.02Å; Q178-Y181 PolarHBondContact O-N 3.12Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 2.95Å; Y181-Q184 PolarHBondContact O-N 3.45Å; Y181-Y185 PolarHBondContact O-N 3.02Å
182A94Very high90.6Very high57 Ų57110.8 Ų110.847%0.47152%0.524SS..Hα-helixtrans-60.1-43.3176.400000112Q178 H179 Y185 Y186Q178-A182 WeakPolarHBondContact O-CB 3.22Å; Q178-A182 PolarHBondContact O-N 3.47Å; H179-A182 PolarHBondContact O-N 3.44Å; A182-Y185 PolarHBondContact O-N 2.97Å; A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 PolarHBondContact O-N 2.71Å
183R92.6Very high90.7Very high168 Ų168107.9 Ų107.963%0.63451%0.512SS*.Hα-helixtrans-65.9-40177.2-170172.4-176.1160.83.2112.3H179 V180 Y181 Y186 M187H179-R183 WeakPolarHBondContact O-CB 3.41Å; H179-R183 PolarHBondContact O-N 3.19Å; V180-R183 PolarHBondContact O-N 2.93Å; Y181-R183 VanDerWaalsContact C-N 3.34Å; Y181-R183 PolarHBondContact O-N 2.95Å; R183-Y186 PolarHBondContact O-N 3.06Å; R183-M187 VanDerWaalsContact O-CG 3.29Å; R183-M187 WeakPolarHBondContact O-CG 3.31Å; R183-M187 PolarHBondContact O-N 3.32Å
184Q91.1Very high90.6Very high122 Ų122107 Ų10757%0.5752%0.519SS*.Hα-helixtrans-61.5-46.9174.9-76.3175.5-15.600111.6V180 Y181 Y186 M187 Q188V180-Q184 HydrophobicContact CG1-CG 4.49Å; V180-Q184 WeakPolarHBondContact O-CG 3.37Å; V180-Q184 PolarHBondContact O-N 3.34Å; Y181-Q184 PolarHBondContact O-N 3.45Å; Q184-Y186 PolarHBondContact O-N 3.02Å; Q184-M187 PolarHBondContact O-N 2.81Å; Q184-Q188 WeakPolarHBondContact O-CB 3.1Å; Q184-Q188 PolarHBondContact O-N 3.2Å
185Y92.3Very high90Very high149 Ų149107.4 Ų107.458%0.58453%0.53SS*.Hα-helixtrans-63.1-42.6178.6-167.6-91.7000112.2Y181 A182 Q188 Y189Y181-Y185 PolarHBondContact O-N 3.02Å; A182-Y185 PolarHBondContact O-N 2.97Å; Y185-Q188 PolarHBondContact O-N 3.46Å; Y185-Y189 WeakPolarHBondContact O-CB 3.48Å; Y185-Y189 PolarHBondContact O-N 3.33Å
186Y94.8Very high89.1Confident142 Ų142105.2 Ų105.256%0.55753%0.529SS*.Hα-helixtrans-61.5-47.4176.1-172.6-96.4000112.2A182 R183 Q184 Q188 Y189 H190A182-Y186 WeakPolarHBondContact O-CB 3.43Å; A182-Y186 PolarHBondContact O-N 2.71Å; R183-Y186 PolarHBondContact O-N 3.06Å; Q184-Y186 PolarHBondContact O-N 3.02Å; Y186-Q188 VanDerWaalsContact C-N 3.32Å; Y186-Q188 PolarHBondContact O-N 2.78Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y186-H190 AromaticContact CD1-CD2 3.93Å; Y186-H190 AromaticContact CE1-CD2 3.65Å; Y186-H190 AromaticContact CE1-NE2 3.75Å; Y186-H190 AromaticContact CE2-CD2 3.82Å; Y186-H190 AromaticContact CE2-NE2 3.47Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CZ-CD2 3.6Å; Y186-H190 AromaticContact CZ-CE1 3.93Å; Y186-H190 AromaticContact CZ-NE2 3.23Å; Y186-H190 PolarHBondContact O-CD2 3.2Å; Y186-H190 PolarHBondContact O-N 3Å; Y186-H190 PolarHBondContact OH-NE2 2.88Å
187M91.1Very high87.8Confident117 Ų117100.9 Ų100.958%0.57653%0.533SS*.Hα-helixtrans-61.2-40176.2-70.5-60.3-59.900112.1R183 Q184 H190 A191R183-M187 VanDerWaalsContact O-CG 3.29Å; R183-M187 WeakPolarHBondContact O-CG 3.31Å; R183-M187 PolarHBondContact O-N 3.32Å; Q184-M187 PolarHBondContact O-N 2.81Å; M187-H190 PolarHBondContact O-N 3.2Å; M187-A191 VanDerWaalsContact O-CB 3.32Å; M187-A191 WeakPolarHBondContact O-CB 3.29Å; M187-A191 PolarHBondContact O-N 2.89Å
188Q89.9Confident85.9Confident143 Ų143102.3 Ų102.367%0.66855%0.545SS*.Hα-helixtrans-68.5-38.2178.3-168.31729.800112.2Q184 Y185 Y186 A192Q184-Q188 WeakPolarHBondContact O-CB 3.1Å; Q184-Q188 PolarHBondContact O-N 3.2Å; Y185-Q188 PolarHBondContact O-N 3.46Å; Y186-Q188 VanDerWaalsContact C-N 3.32Å; Y186-Q188 PolarHBondContact O-N 2.78Å; Q188-A192 WeakPolarHBondContact O-CB 3.46Å; Q188-A192 PolarHBondContact O-N 2.85Å
189Y92.8Very high84.1Confident123 Ų123102.1 Ų102.148%0.48255%0.552SS.*Hα-helixtrans-63.8-47.6172.7178.6-100.4000111.8Y185 Y186 A191 A192 M193Y185-Y189 WeakPolarHBondContact O-CB 3.48Å; Y185-Y189 PolarHBondContact O-N 3.33Å; Y186-Y189 PolarHBondContact O-N 2.98Å; Y189-A191 PolarHBondContact O-N 3.41Å; Y189-A192 PolarHBondContact O-N 3.18Å; Y189-M193 HydrophobicContact CD1-CG 4.26Å; Y189-M193 HydrophobicContact CE1-CG 3.86Å; Y189-M193 HydrophobicContact CE2-CG 4.25Å; Y189-M193 HydrophobicContact CE2-SD 4.46Å; Y189-M193 WeakPolarHBondContact O-CG 3.45Å; Y189-M193 PolarHBondContact O-N 3.41Å
190H88.6Confident82.1Confident87 Ų87101.3 Ų101.340%0.40356%0.558SS.*Hα-helixtrans-65-36.7177.4-85-100.4000112.7Y186 M187 M193 A194Y186-H190 AromaticContact CD1-CD2 3.93Å; Y186-H190 AromaticContact CE1-CD2 3.65Å; Y186-H190 AromaticContact CE1-NE2 3.75Å; Y186-H190 AromaticContact CE2-CD2 3.82Å; Y186-H190 AromaticContact CE2-NE2 3.47Å; Y186-H190 WeakPolarHBondContact CE2-NE2 3.45Å; Y186-H190 AromaticContact CZ-CD2 3.6Å; Y186-H190 AromaticContact CZ-CE1 3.93Å; Y186-H190 AromaticContact CZ-NE2 3.23Å; Y186-H190 PolarHBondContact O-CD2 3.2Å; Y186-H190 PolarHBondContact O-N 3Å; Y186-H190 PolarHBondContact OH-NE2 2.88Å; M187-H190 PolarHBondContact O-N 3.2Å; H190-M193 PolarHBondContact O-N 2.99Å; H190-A194 WeakPolarHBondContact O-CB 3.34Å; H190-A194 PolarHBondContact O-N 2.92Å
191A88.8Confident79.8Confident60 Ų60105.5 Ų105.550%0.49659%0.586SS.*Hα-helixtrans-63.7-40.6172.700000112.3M187 Y189 A194 A195M187-A191 VanDerWaalsContact O-CB 3.32Å; M187-A191 WeakPolarHBondContact O-CB 3.29Å; M187-A191 PolarHBondContact O-N 2.89Å; Y189-A191 PolarHBondContact O-N 3.41Å; A191-A194 PolarHBondContact O-N 3.08Å; A191-A195 WeakPolarHBondContact O-CB 3.5Å; A191-A195 PolarHBondContact O-N 3.01Å
192A84.9Confident77.6Confident60 Ų60102 Ų10250%0.49659%0.589SS.*Hα-helixtrans-66.2-41.6175.300000112.3Q188 Y189 A195 A196Q188-A192 WeakPolarHBondContact O-CB 3.46Å; Q188-A192 PolarHBondContact O-N 2.85Å; Y189-A192 PolarHBondContact O-N 3.18Å; A192-A195 PolarHBondContact O-N 3.49Å; A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 3.48Å
193M86.8Confident75.1Confident106 Ų106105.3 Ų105.352%0.52261%0.606SS.*Hα-helixtrans-64.7-41.3175.1-71.2-63.4-64.700112.2Y189 H190 A196 G197Y189-M193 HydrophobicContact CD1-CG 4.26Å; Y189-M193 HydrophobicContact CE1-CG 3.86Å; Y189-M193 HydrophobicContact CE2-CG 4.25Å; Y189-M193 HydrophobicContact CE2-SD 4.46Å; Y189-M193 WeakPolarHBondContact O-CG 3.45Å; Y189-M193 PolarHBondContact O-N 3.41Å; H190-M193 PolarHBondContact O-N 2.99Å; M193-A196 PolarHBondContact O-N 2.98Å; M193-G197 PolarHBondContact O-N 3.33Å
194A82.4Confident72.5Confident65 Ų65103.4 Ų103.454%0.53761%0.613SS.*Hα-helixtrans-64.6-40.6175.300000112.1H190 A191 G197H190-A194 WeakPolarHBondContact O-CB 3.34Å; H190-A194 PolarHBondContact O-N 2.92Å; A191-A194 PolarHBondContact O-N 3.08Å; A194-G197 PolarHBondContact O-N 3.4Å
195A75.3Confident69.8Low64 Ų64102.3 Ų102.353%0.52962%0.624SS.*Hα-helixtrans-68.4-33.7174.900000113A191 A192 G197 T198A191-A195 WeakPolarHBondContact O-CB 3.5Å; A191-A195 PolarHBondContact O-N 3.01Å; A192-A195 PolarHBondContact O-N 3.49Å; A195-G197 VanDerWaalsContact C-N 3.29Å; A195-T198 PolarHBondContact O-OG1 3Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å
196A72Confident67.3Low68 Ų68101 Ų10156%0.56263%0.632SS**Hα-helixtrans-67.9-31.1171.900000112.2A192 M193 T198A192-A196 WeakPolarHBondContact O-CB 3.3Å; A192-A196 PolarHBondContact O-N 3.48Å; M193-A196 PolarHBondContact O-N 2.98Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.42Å
197G61.5Low64.7Low67 Ų67102.2 Ų102.269%0.69165%0.646SS**THydrogen-bonded Turntrans-72.2-8.2178.600000116M193 A194 A195M193-G197 PolarHBondContact O-N 3.33Å; A194-G197 PolarHBondContact O-N 3.4Å; A195-G197 VanDerWaalsContact C-N 3.29Å
198T54.1Low62.5Low115 Ų11599.9 Ų99.971%0.70665%0.652SS**THydrogen-bonded Turntrans-995.2-179.356.10000114.6A195 A196 P200A195-T198 PolarHBondContact O-OG1 3Å; A195-T198 VanDerWaalsContact O-OG1 3.05Å; A196-T198 VanDerWaalsContact C-N 3.28Å; A196-T198 PolarHBondContact O-N 3.42Å; T198-P200 WeakPolarHBondContact O-CD 3.37Å
199V53.4Low60Low114 Ų114102.3 Ų102.369%0.69166%0.663SS**SBendtrans-82.2117.5173.2-175.50000109.9
200P50.3Low57.3Low104 Ų104107.1 Ų107.168%0.67568%0.682SS**  trans-69.5146.3176.929.3-34.7000111.1T198 A202T198-P200 WeakPolarHBondContact O-CD 3.37Å; P200-A202 PolarHBondContact O-N 3.3Å
201P44Very low55.2Low128 Ų128108.4 Ų108.483%0.83170%0.699SS**  trans-69.6105.7-179.928.2-34.2000111
202A48.9Very low53.2Low83 Ų83111.2 Ų111.269%0.68671%0.711SS**PPolyproline II helixtrans-62.3141.316600000109.9P200P200-A202 PolarHBondContact O-N 3.3Å
203P40.7Very low51.2Low127 Ų127114.7 Ų114.783%0.82573%0.726SS**PPolyproline II helixtrans-63.7138.2-17525.3-34000112A205P203-A205 PolarHBondContact O-N 2.94Å
204V39.4Very low49.1Very low128 Ų128115.2 Ų115.278%0.77674%0.738SS**PPolyproline II helixtrans-68117-170.4-179.80000111.9T206V204-T206 WeakPolarHBondContact CG1-OG1 3.38Å
205A33.8Very low46.9Very low98 Ų98116 Ų11681%0.8174%0.744SS**  trans-101.398.5160.900000109.3P203 I207P203-A205 PolarHBondContact O-N 2.94Å; A205-I207 PolarHBondContact O-N 3.48Å
206T39.6Very low45.1Very low122 Ų122122 Ų12275%0.74876%0.761SS**  trans-72.7110.3-178-58.60000111.9V204V204-T206 WeakPolarHBondContact CG1-OG1 3.38Å
207I39.8Very low43.3Very low168 Ų168127.2 Ų127.286%0.86277%0.773SS**  trans-148.8130142.9-94.2139000106.1A205A205-I207 PolarHBondContact O-N 3.48Å
208G44.7Very low41.9Very low68 Ų68129.7 Ų129.770%0.70178%0.775SS**  trans-93.9147.5-160.700000115.5
209Q38.8Very low41Very low193 Ų193130.1 Ų130.190%0.90278%0.78SS**  trans-148.8146.4157.7-101.8147.96.100109.2
210Y35Very low40Very low224 Ų224130.8 Ų130.888%0.87878%0.784SS**PPolyproline II helixtrans-69.8137.2-179.4-78.9-104.9000110.7P212Y210-P212 WeakPolarHBondContact O-CD 3.39Å
211P45.8Very low39.2Very low115 Ų115131.5 Ų131.575%0.74779%0.788SS**PPolyproline II helixtrans-70.1123.2168.328.9-32.3000109.8
212P46.2Very low38.7Very low118 Ų118129.8 Ų129.877%0.76679%0.785SS**PPolyproline II helixtrans-74135.3174.630.2-33.2000110.4Y210 P214Y210-P212 WeakPolarHBondContact O-CD 3.39Å; P212-P214 WeakPolarHBondContact O-CD 3.38Å
213V42.6Very low37.8Very low133 Ų133131.8 Ų131.881%0.80679%0.791SS**PPolyproline II helixtrans-67.8124.4174.9179.70000109.5A215V213-A215 PolarHBondContact O-N 3.1Å; V213-A215 VanDerWaalsContact O-N 3.1Å
214P43.8Very low37.6Very low118 Ų118134.3 Ų134.377%0.76680%0.797SS**  trans-64.7111.3174.1-22.334.8000111.1P212P212-P214 WeakPolarHBondContact O-CD 3.38Å
215A34.5Very low37.2Very low81 Ų81132.5 Ų132.567%0.66980%0.795SS**  trans-66.6140.1177.300000111.1V213 Q217V213-A215 PolarHBondContact O-N 3.1Å; V213-A215 VanDerWaalsContact O-N 3.1Å; A215-Q217 PolarHBondContact O-N 3Å; A215-Q217 VanDerWaalsContact O-N 3.12Å
216H37.8Very low37Very low189 Ų189136 Ų13688%0.87580%0.8SS**  trans-62.9112.9172.2-76.432.8000110.2
217Q33.8Very low36.6Very low178 Ų178138.5 Ų138.583%0.83280%0.804SS**  trans-104.1101.7168-68-168.2-3.300109.5A215 P219A215-Q217 PolarHBondContact O-N 3Å; A215-Q217 VanDerWaalsContact O-N 3.12Å; Q217-P219 WeakPolarHBondContact O-CD 3.45Å
218V32.5Very low36.1Very low119 Ų119137.4 Ų137.472%0.72180%0.799SS**  trans-80.2120.4169.5179.40000108V220V218-V220 PolarHBondContact O-N 3.16Å
219P35.8Very low35.8Very low125 Ų125139.8 Ų139.881%0.81280%0.803SS**  trans-69103.4177.7-20.334.1000111.3Q217Q217-P219 WeakPolarHBondContact O-CD 3.45Å
220V32.6Very low35.7Very low127 Ų127138.3 Ų138.377%0.7780%0.799SS**PPolyproline II helixtrans-81.4124.5168.7179.10000108.4V218 A222V218-V220 PolarHBondContact O-N 3.16Å; V220-A222 PolarHBondContact O-N 3.19Å
221P33.5Very low35.5Very low119 Ų119134.2 Ų134.277%0.77379%0.793SS**PPolyproline II helixtrans-71.4124.5178.628.2-33.5000111.1
222A32.9Very low34.8Very low92 Ų92135.3 Ų135.376%0.7679%0.792SS**PPolyproline II helixtrans-80.7148.2174.200000111.7V220V220-A222 PolarHBondContact O-N 3.19Å
223P30.4Very low34.1Very low125 Ų125136.6 Ų136.681%0.81279%0.792SS**PPolyproline II helixtrans-80.3155-172.932.3-36.3000114.3
224L37.3Very low33.8Very low181 Ų181136.6 Ų136.695%0.94880%0.795SS**PPolyproline II helixtrans-71.5137.9174.7-71.6157.6000112.1
225A30.4Very low33Very low90 Ų90135.9 Ų135.974%0.74479%0.788SS**  trans-148.689176.600000115
226N29.8Very low32.7Very low171 Ų171139.9 Ų139.991%0.91480%0.798SS**  trans59.7178.5150.9-68.6-31.4000120.7
227Q30.5Very low32.3Very low175 Ų175138.7 Ų138.782%0.81879%0.792SS**  trans-130.9171.3-152.5-60176.8-13.400113.8
228N28.8Very low32Very low145 Ų145137.6 Ų137.678%0.77579%0.793SS**  trans75.2154.9161.4-76.816.6000119.2
229P39.6Very low32.3Very low118 Ų118137 Ų13777%0.76679%0.791SS**  cis-134.3-173.3-28.836.6-17.7000114.6
230I37Very low32.1Very low162 Ų162137.4 Ų137.483%0.83179%0.791SS**  trans-62.7143.5-176.8-61.9155000114.2
231D30.2Very low32.1Very low138 Ų138140.1 Ų140.174%0.73880%0.795SS**  trans-163.1158.1130.9-136.2-26.8000115.9
232N31.5Very low32.1Very low137 Ų137141.6 Ų141.673%0.73380%0.796SS**  trans69127.9165.7-56.4-64.3000121.6
233L30.5Very low32.2Very low145 Ų145141.8 Ų141.876%0.75980%0.798SS**  trans-104.3174.6162.1-72.880.2000110.3V235L233-V235 HydrophobicContact CD2-CG2 3.74Å
234P36.5Very low32.2Very low134 Ų134139.7 Ų139.787%0.8779%0.791SS**  -130.8162.193.3164.1000114.6
235V28Very low32.1Very low102 Ų102140.4 Ų140.462%0.61879%0.787SS**  trans-90144.4-175.1173.50000111.9L233 Q237L233-V235 HydrophobicContact CD2-CG2 3.74Å; V235-Q237 HydrophobicContact CG1-CG 3.69Å
236N27Very low32.6Very low165 Ų165144.3 Ų144.388%0.88279%0.794SS**  trans-130.9149150.7-160.2-12.6000109.1
237Q30.1Very low32.8Very low164 Ų164142.1 Ų142.177%0.76678%0.782SS**  trans-121.9124.2-163.8-57.1176.22.400112V235V235-Q237 HydrophobicContact CG1-CG 3.69Å
238N27.2Very low33.4Very low156 Ų156140.1 Ų140.183%0.83478%0.784SS**  trans-160.5141131-150.635.1000110.3
239P37.9Very low34.2Very low106 Ų106135 Ų13569%0.68877%0.765SS**  trans-103.7136.5-177.336.3-29.3000113.4
240V31.4Very low34.7Very low133 Ų133138 Ų13881%0.80677%0.769SS**  trans-133.8134.7149.1-179.80000107.1
241Q34.6Very low35.3Very low184 Ų184134.9 Ų134.986%0.8677%0.768SS**  trans-92131.8174.6-64.4173.4-29.200108.9
242D31.7Very low36.2Very low150 Ų150133.4 Ų133.480%0.80276%0.76SS**  trans-145.585156.6-106.4-45.1000110.3A244D242-A244 PolarHBondContact O-N 2.95Å; D242-A244 VanDerWaalsContact O-N 3.1Å
243A35.3Very low37Very low97 Ų97134.5 Ų134.580%0.80276%0.761SS**  trans-83.563.517200000110
244A30.7Very low38Very low80 Ų80135 Ų13566%0.66176%0.764SS**  trans-84.8117.7177.400000110.8D242 I246D242-A244 PolarHBondContact O-N 2.95Å; D242-A244 VanDerWaalsContact O-N 3.1Å; A244-I246 PolarHBondContact O-N 3.24Å
245F34.9Very low38.7Very low197 Ų197134 Ų13486%0.86475%0.749SS**  trans-64.2124.6179.7-68.4-105.6000110.8N247F245-N247 PolarHBondContact O-N 3.08Å
246I40.9Very low39.5Very low172 Ų172140.4 Ų140.488%0.88276%0.762SS**  trans-65.7110.3168.9-62.4179.1000107.8A244A244-I246 PolarHBondContact O-N 3.24Å
247N35.4Very low40.7Very low124 Ų124139.1 Ų139.166%0.66375%0.753SS**  trans-81.9122.2-170.7-160-36.5000110.3F245 G249F245-N247 PolarHBondContact O-N 3.08Å; N247-G249 PolarHBondContact O-N 3.34Å
248P43Very low41.8Very low134 Ų134137.1 Ų137.187%0.8775%0.747SS**THydrogen-bonded Turntrans-78.435.1-177.334.5-37.5000113.4
249G44Very low42.9Very low36 Ų36134.6 Ų134.637%0.37175%0.748SS.*THydrogen-bonded Turntrans-112-17.7-170.800000116.8N247 Q253N247-G249 PolarHBondContact O-N 3.34Å; G249-Q253 PolarHBondContact O-NE2 2.93Å
250E51.3Low43.6Very low181 Ų181137.2 Ų137.285%0.84675%0.751SS**  trans-123.228.2-166.7-64.6-170.4114.200114.5
251A48.8Very low44.7Very low97 Ų97134.7 Ų134.780%0.80275%0.751SS**SBendtrans-104107.4164.800000110.4
252N50.2Low45.2Very low108 Ų108127.6 Ų127.658%0.57873%0.728SS**  trans7146.4166.8-108.5-38.9000119N254 M255N252-N254 PolarHBondContact O-N 3.4Å; N252-M255 HydrophobicContact CB-CB 4.42Å; N252-M255 WeakPolarHBondContact O-CB 3.44Å; N252-M255 PolarHBondContact O-N 3.41Å
253Q47.6Very low46.3Very low160 Ų160126.4 Ų126.475%0.74873%0.729SS**THydrogen-bonded Turntrans-63-15.7162.7-63.8-170.123.900113.5G249 M255G249-Q253 PolarHBondContact O-NE2 2.93Å; Q253-M255 PolarHBondContact O-N 3.1Å
254N51.8Low47Very low156 Ų156127.3 Ų127.383%0.83472%0.724SS**THydrogen-bonded Turntrans-73.6-10.1171.5-70.4-27.9000113.7N252 R256N252-N254 PolarHBondContact O-N 3.4Å; N254-R256 PolarHBondContact O-N 3.4Å
255M49.9Very low47.8Very low111 Ų111129.4 Ų129.455%0.54772%0.721SS.*  trans-7962.3171.3-161.2168.7-70.100110.5N252 Q253 M257N252-M255 HydrophobicContact CB-CB 4.42Å; N252-M255 WeakPolarHBondContact O-CB 3.44Å; N252-M255 PolarHBondContact O-N 3.41Å; Q253-M255 PolarHBondContact O-N 3.1Å; M255-M257 VanDerWaalsContact C-N 3.25Å; M255-M257 HydrophobicContact CG-CE 3.75Å; M255-M257 HydrophobicContact CG-SD 3.94Å; M255-M257 PolarHBondContact O-N 2.99Å; M255-M257 HydrophobicContact SD-CE 3.59Å; M255-M257 VanDerWaalsContact SD-CE 3.59Å
256R46.3Very low48.4Very low237 Ų237127.2 Ų127.289%0.89471%0.714SS**  trans-71.283.4170.8-172.5177.8-173.9130.9-0.9108.4N254 N258N254-R256 PolarHBondContact O-N 3.4Å; R256-N258 PolarHBondContact O-N 3.48Å; R256-N258 VanDerWaalsContact O-N 3.08Å
257M51.4Low49Very low139 Ų139125.5 Ų125.569%0.68571%0.707SS**  trans-48.9119.9174.9-79.383.4179.400109.4M255 A259M255-M257 VanDerWaalsContact C-N 3.25Å; M255-M257 HydrophobicContact CG-CE 3.75Å; M255-M257 HydrophobicContact CG-SD 3.94Å; M255-M257 PolarHBondContact O-N 2.99Å; M255-M257 HydrophobicContact SD-CE 3.59Å; M255-M257 VanDerWaalsContact SD-CE 3.59Å; M257-A259 PolarHBondContact O-N 3.11Å
258N53.5Low49.8Very low122 Ų122126.4 Ų126.465%0.65271%0.707SS**  trans-75.178.4166.8-17126.5000109.3R256 Q260R256-N258 PolarHBondContact O-N 3.48Å; R256-N258 VanDerWaalsContact O-N 3.08Å; N258-Q260 VanDerWaalsContact CG-O 3.24Å; N258-Q260 PolarHBondContact ND2-O 3.3Å; N258-Q260 PolarHBondContact O-N 2.87Å; N258-Q260 PolarHBondContact OD1-O 2.78Å
259A51Low50.3Low103 Ų103126.3 Ų126.385%0.85170%0.695SS**  trans-71.2-0.1178.300000113.4M257M257-A259 PolarHBondContact O-N 3.11Å
260Q52.5Low50.6Low161 Ų161131 Ų13175%0.75271%0.711SS**SBendtrans-119.5102.4175-176.3164.33.900108.8N258 G262N258-Q260 VanDerWaalsContact CG-O 3.24Å; N258-Q260 PolarHBondContact ND2-O 3.3Å; N258-Q260 PolarHBondContact O-N 2.87Å; N258-Q260 PolarHBondContact OD1-O 2.78Å; Q260-G262 PolarHBondContact O-N 3.37Å
261G54.1Low50.8Low79 Ų79127.6 Ų127.681%0.81470%0.702SS**  trans-51.8107.7-175.800000112.4
262G44.6Very low51.4Low36 Ų36131.1 Ų131.137%0.37170%0.702SS.*  trans-76.8153.9160.800000109.1Q260 V264Q260-G262 PolarHBondContact O-N 3.37Å; G262-V264 PolarHBondContact O-N 3.01Å
263P54.6Low52Low125 Ų125134.6 Ų134.681%0.81271%0.707SS**SBendtrans-63.6108.2-17226-34.4000110.9
264V50.7Low53.4Low116 Ų116130.6 Ų130.670%0.70369%0.691SS**  trans-137.8113172.4176.30000105.8G262G262-V264 PolarHBondContact O-N 3.01Å
265M47.1Very low55Low124 Ų124131.9 Ų131.961%0.61169%0.685SS**  trans66.569.4179-60.7145.7179.100114.8
266E48.5Very low56.4Low151 Ų151131.1 Ų131.171%0.70668%0.682SS**SBendtrans-73.4-26.6145.2-70.2-179.2122.500109.7E268 E269E266-E268 PolarHBondContact O-N 3.07Å; E266-E269 PolarHBondContact O-N 3.12Å
267D54Low58Low136 Ų136124.6 Ų124.673%0.72767%0.665SS**THydrogen-bonded Turntrans-67.5-0.6-173.9-42.4-93.2000116.4
268E51.9Low59.5Low142 Ų142127.2 Ų127.266%0.66467%0.667SS**THydrogen-bonded Turntrans-111.3-9.7171.7-68.1-167.1164.200113.4E266E266-E268 PolarHBondContact O-N 3.07Å
269E53.6Low61.1Low133 Ų133125.3 Ų125.362%0.62166%0.657SS**THydrogen-bonded Turntrans-88.2-16.5167.5-77.1-158.1-151.500113E266 V271 R273E266-E269 PolarHBondContact O-N 3.12Å; E269-V271 PolarHBondContact O-N 3.3Å; E269-R273 IonicContact OE2-CZ 4Å; E269-R273 IonicContact OE2-NH2 2.77Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å
270D49.8Very low62.8Low133 Ų133126.8 Ų126.871%0.71164%0.641SS**  trans-8310.8171.7-86-15.7000113.3E272D270-E272 PolarHBondContact O-N 3.5Å
271V55.7Low64.3Low110 Ų110122.5 Ų122.567%0.66763%0.629SS**SBendtrans-71.179164.1-176.60000109.1E269E269-V271 PolarHBondContact O-N 3.3Å
272E61.4Low65.7Low172 Ų172120.7 Ų120.780%0.80461%0.607SS**  trans40.577.9165.8-62.1-173.8131.200114.3D270 D274D270-E272 PolarHBondContact O-N 3.5Å; E272-D274 PolarHBondContact O-N 3.31Å
273R63.1Low67.8Low181 Ų181121.6 Ų121.668%0.68361%0.61SS**  trans-60.391.9159.5-73.6-176-177.1146.32.3108.6E269E269-R273 IonicContact OE2-CZ 4Å; E269-R273 IonicContact OE2-NH2 2.77Å; E269-R273 PolarHBondContact OE2-NH2 2.8Å
274D76.3Confident69.4Low76 Ų76123.7 Ų123.741%0.40660%0.602SS.*  trans-54.2140.6-162.8-136.3-28000111.4E272 L276 D277 W278E272-D274 PolarHBondContact O-N 3.31Å; D274-L276 HydrophobicContact CB-CB 4.39Å; D274-L276 PolarHBondContact O-N 2.87Å; D274-L276 VanDerWaalsContact O-N 3.1Å; D274-D277 HydrophobicContact CB-CB 4.06Å; D274-D277 WeakPolarHBondContact O-CA 3.24Å; D274-D277 WeakPolarHBondContact O-CB 3.29Å; D274-D277 PolarHBondContact O-N 3.27Å; D274-W278 PolarHBondContact O-N 2.9Å
275W84.4Confident71.1Confident183 Ų183123 Ų12369%0.69359%0.594SS**Hα-helixtrans-57.6-28.3173.366.7-81.7000110.6L279W275-L279 HydrophobicContact CE3-CD2 4.46Å; W275-L279 HydrophobicContact CZ3-CD2 3.96Å; W275-L279 VanDerWaalsContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.95Å
276L79.6Confident72.8Confident95 Ų95118.5 Ų118.550%0.49758%0.579SS.*Hα-helixtrans-69.5-36172.9-172.664.6000112.6D274 L279 Y280D274-L276 HydrophobicContact CB-CB 4.39Å; D274-L276 PolarHBondContact O-N 2.87Å; D274-L276 VanDerWaalsContact O-N 3.1Å; L276-L279 PolarHBondContact O-N 3.04Å; L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 2.89Å
277D81Confident74.6Confident99 Ų99115.6 Ų115.653%0.52957%0.572SS.*Hα-helixtrans-74.7-36176.8-109.76.7000111.7D274 S281D274-D277 HydrophobicContact CB-CB 4.06Å; D274-D277 WeakPolarHBondContact O-CA 3.24Å; D274-D277 WeakPolarHBondContact O-CB 3.29Å; D274-D277 PolarHBondContact O-N 3.27Å; D277-S281 VanDerWaalsContact O-CB 3.23Å; D277-S281 WeakPolarHBondContact O-CB 3.4Å; D277-S281 PolarHBondContact O-N 3.22Å; D277-S281 PolarHBondContact O-OG 2.98Å
278W82.6Confident75.9Confident194 Ų194113.5 Ų113.574%0.73556%0.56SS**Hα-helixtrans-62.2-46.8167-176.985.7000111.1D274 S281 A282D274-W278 PolarHBondContact O-N 2.9Å; W278-S281 PolarHBondContact O-N 2.92Å; W278-A282 VanDerWaalsContact O-CB 3.28Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.9Å
279L87.4Confident77.4Confident83 Ų83109.1 Ų109.144%0.43554%0.541SS..Hα-helixtrans-64.1-39.7177.4-179.861000112.2W275 L276 A282 A283W275-L279 HydrophobicContact CE3-CD2 4.46Å; W275-L279 HydrophobicContact CZ3-CD2 3.96Å; W275-L279 VanDerWaalsContact O-CB 3.25Å; W275-L279 WeakPolarHBondContact O-CB 3.44Å; W275-L279 PolarHBondContact O-N 2.95Å; L276-L279 PolarHBondContact O-N 3.04Å; L279-A282 PolarHBondContact O-N 2.94Å; L279-A283 WeakPolarHBondContact O-CB 3.22Å; L279-A283 PolarHBondContact O-N 3.02Å
280Y86.6Confident78.6Confident133 Ų133108 Ų10852%0.52254%0.537SS..Hα-helixtrans-66.1-42.7176.4172.7-103.2000111.1L276 A283 R284L276-Y280 WeakPolarHBondContact O-CB 3.46Å; L276-Y280 PolarHBondContact O-N 2.89Å; Y280-A283 PolarHBondContact O-N 3.22Å; Y280-R284 WeakPolarHBondContact O-CB 3.32Å; Y280-R284 PolarHBondContact O-N 3.02Å
281S83.3Confident80.1Confident71 Ų71106.5 Ų106.550%0.49753%0.528SS..Hα-helixtrans-63.8-44.4174.7-630000111.8D277 W278 R284 L285D277-S281 VanDerWaalsContact O-CB 3.23Å; D277-S281 WeakPolarHBondContact O-CB 3.4Å; D277-S281 PolarHBondContact O-N 3.22Å; D277-S281 PolarHBondContact O-OG 2.98Å; W278-S281 PolarHBondContact O-N 2.92Å; S281-R284 PolarHBondContact O-N 3.48Å; S281-L285 VanDerWaalsContact O-CB 3.28Å; S281-L285 WeakPolarHBondContact O-CB 3.35Å; S281-L285 PolarHBondContact O-N 3.45Å
282A84.4Confident81.2Confident42 Ų42104.2 Ų104.235%0.34751%0.511SS..Hα-helixtrans-65.2-40.3175.300000112.6W278 L279 G286W278-A282 VanDerWaalsContact O-CB 3.28Å; W278-A282 WeakPolarHBondContact O-CB 3.32Å; W278-A282 PolarHBondContact O-N 2.9Å; L279-A282 PolarHBondContact O-N 2.94Å; A282-G286 PolarHBondContact O-N 3.48Å
283A88.4Confident82.1Confident54 Ų54100.5 Ų100.545%0.44649%0.49SS..Hα-helixtrans-68.2-43.1175.800000111.8L279 Y280 G286 V287L279-A283 WeakPolarHBondContact O-CB 3.22Å; L279-A283 PolarHBondContact O-N 3.02Å; Y280-A283 PolarHBondContact O-N 3.22Å; A283-G286 PolarHBondContact O-N 3.16Å; A283-V287 WeakPolarHBondContact O-CG2 3.39Å; A283-V287 PolarHBondContact O-N 3.21Å
284R87.3Confident82.8Confident170 Ų17099.6 Ų99.664%0.64249%0.492SS*.Hα-helixtrans-63.8-40.8175.8-175174.7-179.8173.3-2.1111.7Y280 S281 L288Y280-R284 WeakPolarHBondContact O-CB 3.32Å; Y280-R284 PolarHBondContact O-N 3.02Å; S281-R284 PolarHBondContact O-N 3.48Å; R284-L288 WeakPolarHBondContact O-CB 3.4Å; R284-L288 PolarHBondContact O-N 3.15Å; R284-L288 VanDerWaalsContact O-N 3.12Å
285L86.3Confident82.7Confident101 Ų101102.5 Ų102.553%0.52951%0.507SS..Hα-helixtrans-62-49.6170.5-178.863.3000110.4S281 V287 L288 L289S281-L285 VanDerWaalsContact O-CB 3.28Å; S281-L285 WeakPolarHBondContact O-CB 3.35Å; S281-L285 PolarHBondContact O-N 3.45Å; L285-V287 PolarHBondContact O-N 2.91Å; L285-L288 CarbonylContact O-C 3.51Å; L285-L288 WeakPolarHBondContact O-CA 3.43Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.93Å; L285-L289 HydrophobicContact CD1-CD2 3.8Å; L285-L289 HydrophobicContact CD1-CG 4.49Å; L285-L289 HydrophobicContact CG-CD2 4.13Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.47Å
286G84.6Confident82.5Confident30 Ų3096 Ų9631%0.30949%0.49SS..Hα-helixtrans-59.1-40.918000000114A282 A283 L289 M290A282-G286 PolarHBondContact O-N 3.48Å; A283-G286 PolarHBondContact O-N 3.16Å; G286-L289 PolarHBondContact O-N 2.96Å; G286-M290 WeakPolarHBondContact O-CG 3.37Å; G286-M290 PolarHBondContact O-N 2.92Å
287V85.1Confident82.4Confident90 Ų9096.8 Ų96.855%0.54550%0.495SS..Hα-helixtrans-64.3-42.2172.5170.30000111A283 L285 M290 I291A283-V287 WeakPolarHBondContact O-CG2 3.39Å; A283-V287 PolarHBondContact O-N 3.21Å; L285-V287 PolarHBondContact O-N 2.91Å; V287-M290 PolarHBondContact O-N 3.29Å; V287-I291 HydrophobicContact CG1-CD1 3.95Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 2.72Å
288L82.4Confident82.2Confident91 Ų9196.2 Ų96.248%0.47649%0.491SS..Hα-helixtrans-63.1-40.2173.6178.9149.7000111.6R284 L285 I291 I292R284-L288 WeakPolarHBondContact O-CB 3.4Å; R284-L288 PolarHBondContact O-N 3.15Å; R284-L288 VanDerWaalsContact O-N 3.12Å; L285-L288 CarbonylContact O-C 3.51Å; L285-L288 WeakPolarHBondContact O-CA 3.43Å; L285-L288 WeakPolarHBondContact O-CB 3.31Å; L285-L288 PolarHBondContact O-N 2.93Å; L288-I291 PolarHBondContact O-N 3.3Å; L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CG-CD1 4.29Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.43Å
289L81.4Confident81.8Confident50 Ų5090.5 Ų90.526%0.26248%0.481SS..Hα-helixtrans-62.7-43.7174.3-55.1-155.4000110.6L285 G286 I292 Y293 F301 M305L285-L289 HydrophobicContact CD1-CD2 3.8Å; L285-L289 HydrophobicContact CD1-CG 4.49Å; L285-L289 HydrophobicContact CG-CD2 4.13Å; L285-L289 HydrophobicContact CG-CG 4.3Å; L285-L289 VanDerWaalsContact O-CG 3.24Å; L285-L289 WeakPolarHBondContact O-CG 3.41Å; L285-L289 PolarHBondContact O-N 3.47Å; G286-L289 PolarHBondContact O-N 2.96Å; L289-I292 PolarHBondContact O-N 3.38Å; L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.44Å; L289-Y293 PolarHBondContact O-N 3.3Å; L289-F301 HydrophobicContact CB-CE2 4.32Å; L289-F301 HydrophobicContact CB-CZ 4.26Å; L289-F301 VanDerWaalsContact O-CE2 3.24Å; L289-F301 WeakPolarHBondContact O-CE2 3.19Å; L289-M305 HydrophobicContact CD1-SD 3.93Å; L289-M305 HydrophobicContact CD2-CE 3.8Å; L289-M305 HydrophobicContact CD2-SD 3.77Å; L289-M305 HydrophobicContact CG-SD 4.38Å
290M80.3Confident81.4Confident110 Ų11095.4 Ų95.454%0.54249%0.494SS..Hα-helixtrans-64-40.1177.2-75.2-66.9175.600112.4G286 V287 Y293 F294G286-M290 WeakPolarHBondContact O-CG 3.37Å; G286-M290 PolarHBondContact O-N 2.92Å; V287-M290 PolarHBondContact O-N 3.29Å; M290-Y293 WeakPolarHBondContact O-CB 3.28Å; M290-Y293 PolarHBondContact O-N 2.88Å; M290-F294 VanDerWaalsContact O-CD2 3.22Å; M290-F294 WeakPolarHBondContact O-CD2 3.49Å; M290-F294 PolarHBondContact O-N 2.89Å
291I81.1Confident81.2Confident101 Ų10190.4 Ų90.452%0.51848%0.475SS..Hα-helixtrans-63-44.7174.8-69164.7000110.6V287 L288 Y293 N295V287-I291 HydrophobicContact CG1-CD1 3.95Å; V287-I291 WeakPolarHBondContact O-CG1 3.29Å; V287-I291 PolarHBondContact O-N 2.72Å; L288-I291 PolarHBondContact O-N 3.3Å; I291-Y293 VanDerWaalsContact C-N 3.34Å; I291-Y293 PolarHBondContact O-N 3.38Å; I291-N295 PolarHBondContact O-N 2.91Å; I291-N295 PolarHBondContact O-ND2 2.9Å
292I78.8Confident81.1Confident62 Ų6290.1 Ų90.132%0.31847%0.467SS..Hα-helixtrans-64.7-40176.1-62.8170.1000110.5L288 L289 N295 S296 F301 M305L288-I292 HydrophobicContact CD2-CD1 3.56Å; L288-I292 HydrophobicContact CG-CD1 4.29Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.19Å; L288-I292 PolarHBondContact O-N 3.43Å; L289-I292 PolarHBondContact O-N 3.38Å; I292-N295 CarbonylContact O-C 3.58Å; I292-N295 PolarHBondContact O-N 3.46Å; I292-S296 WeakPolarHBondContact O-CB 3.22Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.49Å; I292-F301 HydrophobicContact CB-CD2 4.46Å; I292-F301 HydrophobicContact CG2-CD2 4.06Å; I292-M305 HydrophobicContact CD1-CE 4.5Å
293Y80.1Confident80.9Confident94 Ų9493.4 Ų93.437%0.36948%0.478SS..Hα-helixtrans-59.1-53.7176.2173.3-95.5000112L289 M290 I291 N295 S296 L298 F301L289-Y293 VanDerWaalsContact O-CB 3.29Å; L289-Y293 WeakPolarHBondContact O-CB 3.44Å; L289-Y293 PolarHBondContact O-N 3.3Å; M290-Y293 WeakPolarHBondContact O-CB 3.28Å; M290-Y293 PolarHBondContact O-N 2.88Å; I291-Y293 VanDerWaalsContact C-N 3.34Å; I291-Y293 PolarHBondContact O-N 3.38Å; Y293-N295 PolarHBondContact O-N 3.35Å; Y293-S296 PolarHBondContact O-N 3.43Å; Y293-L298 HydrophobicContact CE2-CD1 3.89Å; Y293-F301 AromaticContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CE1 4.05Å; Y293-F301 HydrophobicContact CD2-CG 4.11Å; Y293-F301 HydrophobicContact CD2-CZ 4.47Å
294F77.1Confident80.7Confident163 Ų16394.2 Ų94.272%0.71548%0.478SS*.Hα-helixtrans-64.6-22179.5-80.5-68000113.7M290M290-F294 VanDerWaalsContact O-CD2 3.22Å; M290-F294 WeakPolarHBondContact O-CD2 3.49Å; M290-F294 PolarHBondContact O-N 2.89Å
295N75.7Confident80.5Confident136 Ų13687.8 Ų87.873%0.72746%0.455SS*.THydrogen-bonded Turntrans-96.54.6174.9-71.7-90000113.5I291 I292 Y293I291-N295 PolarHBondContact O-N 2.91Å; I291-N295 PolarHBondContact O-ND2 2.9Å; I292-N295 CarbonylContact O-C 3.58Å; I292-N295 PolarHBondContact O-N 3.46Å; Y293-N295 PolarHBondContact O-N 3.35Å
296S79.9Confident80.3Confident47 Ų4785.8 Ų85.833%0.32945%0.45SS..SBendtrans-127.5153.5-175.6-640000112.8I292 Y293I292-S296 WeakPolarHBondContact O-CB 3.22Å; I292-S296 PolarHBondContact O-N 2.86Å; I292-S296 PolarHBondContact O-OG 3.49Å; Y293-S296 PolarHBondContact O-N 3.43Å
297N76.4Confident80.3Confident112 Ų11288.4 Ų88.460%0.59946%0.46SS*.  trans-71.8133.4161.8-173.1-55.7000109.1S299 R300 F301N297-S299 PolarHBondContact O-N 2.89Å; N297-S299 PolarHBondContact OD1-N 2.84Å; N297-R300 PolarHBondContact O-N 3.49Å; N297-F301 PolarHBondContact O-N 3.23Å; N297-F301 VanDerWaalsContact O-N 3.11Å
298L76.8Confident80.2Confident87 Ų8789 Ų8946%0.45546%0.459SS..Hα-helixtrans-41.4-44.8-177.6175.166.8000113.7Y293 R300 F301 L302Y293-L298 HydrophobicContact CE2-CD1 3.89Å; L298-R300 PolarHBondContact O-N 2.82Å; L298-F301 PolarHBondContact O-N 3.4Å; L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.05Å; L298-L302 WeakPolarHBondContact O-CG 3.24Å; L298-L302 PolarHBondContact O-N 3.33Å
299S74.4Confident80.3Confident74 Ų7489.5 Ų89.552%0.51746%0.462SS..Hα-helixtrans-61.2-43.8179.4173.50000112.7N297 L303N297-S299 PolarHBondContact O-N 2.89Å; N297-S299 PolarHBondContact OD1-N 2.84Å; S299-L303 WeakPolarHBondContact O-CG 3.37Å; S299-L303 PolarHBondContact O-N 2.99Å; S299-L303 VanDerWaalsContact O-N 3.1Å
300R79.1Confident80.4Confident186 Ų18692.3 Ų92.370%0.70248%0.477SS*.Hα-helixtrans-70.3-39.5179.2-64.8-176.6179.9177.2-0.2111.5N297 L298 L303 V304N297-R300 PolarHBondContact O-N 3.49Å; L298-R300 PolarHBondContact O-N 2.82Å; R300-L303 PolarHBondContact O-N 3.01Å; R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.93Å; R300-V304 VanDerWaalsContact O-N 3.08Å
301F82.9Confident80.5Confident28 Ų2893 Ų9312%0.12348%0.48CS..Hα-helixtrans-57.9-51.2174173.4-99.2000111.4L289 I292 Y293 N297 L298 L303 V304 M305L289-F301 HydrophobicContact CB-CE2 4.32Å; L289-F301 HydrophobicContact CB-CZ 4.26Å; L289-F301 VanDerWaalsContact O-CE2 3.24Å; L289-F301 WeakPolarHBondContact O-CE2 3.19Å; I292-F301 HydrophobicContact CB-CD2 4.46Å; I292-F301 HydrophobicContact CG2-CD2 4.06Å; Y293-F301 AromaticContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CD1 3.86Å; Y293-F301 HydrophobicContact CD2-CE1 4.05Å; Y293-F301 HydrophobicContact CD2-CG 4.11Å; Y293-F301 HydrophobicContact CD2-CZ 4.47Å; N297-F301 PolarHBondContact O-N 3.23Å; N297-F301 VanDerWaalsContact O-N 3.11Å; L298-F301 PolarHBondContact O-N 3.4Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.27Å; F301-V304 PolarHBondContact O-N 2.94Å; F301-M305 HydrophobicContact CD1-CG 4.37Å; F301-M305 HydrophobicContact CD2-CE 4.16Å; F301-M305 HydrophobicContact CD2-CG 4.31Å; F301-M305 HydrophobicContact CE1-CG 3.97Å; F301-M305 HydrophobicContact CE2-CE 3.71Å; F301-M305 HydrophobicContact CE2-CG 3.91Å; F301-M305 HydrophobicContact CE2-SD 4.33Å; F301-M305 HydrophobicContact CZ-CE 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.73Å; F301-M305 HydrophobicContact CZ-SD 4.39Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.39Å
302L81.4Confident80.5Confident65 Ų6594.6 Ų94.634%0.3448%0.48SS..Hα-helixtrans-64-35.7-179.9-70.2173.7000112.9L298 S306 F397L298-L302 HydrophobicContact CD1-CD1 3.9Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 4.05Å; L298-L302 WeakPolarHBondContact O-CG 3.24Å; L298-L302 PolarHBondContact O-N 3.33Å; L302-S306 WeakPolarHBondContact O-CB 3.38Å; L302-S306 PolarHBondContact O-N 3.3Å; L302-F397 HydrophobicContact CD1-CE1 3.72Å; L302-F397 HydrophobicContact CD1-CZ 3.92Å
303L80.4Confident80.7Confident111 Ų11195 Ų9558%0.58148%0.483SS*.Hα-helixtrans-64-45173.6-74.3172.9000112.1S299 R300 F301 S306 T307S299-L303 WeakPolarHBondContact O-CG 3.37Å; S299-L303 PolarHBondContact O-N 2.99Å; S299-L303 VanDerWaalsContact O-N 3.1Å; R300-L303 PolarHBondContact O-N 3.01Å; F301-L303 VanDerWaalsContact C-N 3.34Å; F301-L303 PolarHBondContact O-N 3.27Å; L303-S306 PolarHBondContact O-N 2.85Å; L303-T307 WeakPolarHBondContact O-CG2 3.37Å; L303-T307 PolarHBondContact O-N 3.01Å; L303-T307 PolarHBondContact O-OG1 3.05Å
304V82.4Confident80.6Confident71 Ų7197.1 Ų97.143%0.4350%0.496SS..Hα-helixtrans-66.7-40178173.10000111.7R300 F301 T307 L308R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.93Å; R300-V304 VanDerWaalsContact O-N 3.08Å; F301-V304 PolarHBondContact O-N 2.94Å; V304-T307 PolarHBondContact O-OG1 3.12Å; V304-L308 HydrophobicContact CG1-CD1 3.94Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 2.97Å
305M84.4Confident80.2Confident35 Ų3594.4 Ų94.417%0.17249%0.493CS..Hα-helixtrans-66.6-37.8174.9-66-57.3135.800112L289 I292 F301 L308 L309L289-M305 HydrophobicContact CD1-SD 3.93Å; L289-M305 HydrophobicContact CD2-CE 3.8Å; L289-M305 HydrophobicContact CD2-SD 3.77Å; L289-M305 HydrophobicContact CG-SD 4.38Å; I292-M305 HydrophobicContact CD1-CE 4.5Å; F301-M305 HydrophobicContact CD1-CG 4.37Å; F301-M305 HydrophobicContact CD2-CE 4.16Å; F301-M305 HydrophobicContact CD2-CG 4.31Å; F301-M305 HydrophobicContact CE1-CG 3.97Å; F301-M305 HydrophobicContact CE2-CE 3.71Å; F301-M305 HydrophobicContact CE2-CG 3.91Å; F301-M305 HydrophobicContact CE2-SD 4.33Å; F301-M305 HydrophobicContact CZ-CE 4.35Å; F301-M305 HydrophobicContact CZ-CG 3.73Å; F301-M305 HydrophobicContact CZ-SD 4.39Å; F301-M305 WeakPolarHBondContact O-CG 3.36Å; F301-M305 PolarHBondContact O-N 3.39Å; M305-L308 HydrophobicContact CE-CD1 4.42Å; M305-L309 VanDerWaalsContact O-CB 3.22Å; M305-L309 WeakPolarHBondContact O-CB 3.42Å; M305-L309 PolarHBondContact O-N 3.39Å
306S82Confident79.8Confident59 Ų5993.7 Ų93.741%0.41349%0.486SS..Hα-helixtrans-65.6-44.2175.8-174.80000112.3L302 L303 L309 L310L302-S306 WeakPolarHBondContact O-CB 3.38Å; L302-S306 PolarHBondContact O-N 3.3Å; L303-S306 PolarHBondContact O-N 2.85Å; S306-L309 PolarHBondContact O-N 3.24Å; S306-L310 WeakPolarHBondContact O-CB 3.23Å; S306-L310 VanDerWaalsContact O-CG 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.99Å
307T83.4Confident78.9Confident85 Ų8593.8 Ų93.852%0.52150%0.495SS..Hα-helixtrans-70.2-36.617854.30000112.8L303 V304 L310 M311L303-T307 WeakPolarHBondContact O-CG2 3.37Å; L303-T307 PolarHBondContact O-N 3.01Å; L303-T307 PolarHBondContact O-OG1 3.05Å; V304-T307 PolarHBondContact O-OG1 3.12Å; T307-L310 PolarHBondContact O-N 3.27Å; T307-M311 WeakPolarHBondContact O-CB 3.45Å; T307-M311 PolarHBondContact O-N 2.95Å
308L83.6Confident78.1Confident101 Ų10197 Ų9753%0.52950%0.499SS..Hα-helixtrans-63.2-43.2170.7-75169.6000111.7V304 M305 M311 Y312V304-L308 HydrophobicContact CG1-CD1 3.94Å; V304-L308 WeakPolarHBondContact O-CB 3.44Å; V304-L308 VanDerWaalsContact O-CG 3.3Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 2.97Å; M305-L308 HydrophobicContact CE-CD1 4.42Å; L308-M311 PolarHBondContact O-N 3.03Å; L308-Y312 VanDerWaalsContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CB 3.19Å; L308-Y312 PolarHBondContact O-N 2.91Å
309L84Confident76.8Confident102 Ų102100.3 Ų100.353%0.53451%0.51SS..Hα-helixtrans-63.6-42.8176.6-177.464000111.9M305 S306 Y312 L313M305-L309 VanDerWaalsContact O-CB 3.22Å; M305-L309 WeakPolarHBondContact O-CB 3.42Å; M305-L309 PolarHBondContact O-N 3.39Å; S306-L309 PolarHBondContact O-N 3.24Å; L309-Y312 PolarHBondContact O-N 3.34Å; L309-L313 HydrophobicContact CD1-CD1 3.74Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 WeakPolarHBondContact O-CD1 3.24Å; L309-L313 PolarHBondContact O-N 3.02Å
310L84.8Confident75.9Confident110 Ų110102.4 Ų102.458%0.57652%0.522SS*.Hα-helixtrans-64.3-42.1175.6-73.5166.2000112.1S306 T307 Y312 L313 H314S306-L310 WeakPolarHBondContact O-CB 3.23Å; S306-L310 VanDerWaalsContact O-CG 3.29Å; S306-L310 WeakPolarHBondContact O-CG 3.35Å; S306-L310 PolarHBondContact O-N 2.99Å; T307-L310 PolarHBondContact O-N 3.27Å; L310-Y312 VanDerWaalsContact C-N 3.32Å; L310-Y312 PolarHBondContact O-N 2.88Å; L310-L313 PolarHBondContact O-N 3.4Å; L310-H314 WeakPolarHBondContact O-CB 3.2Å; L310-H314 PolarHBondContact O-N 2.91Å
311M81.8Confident74.7Confident123 Ų123102.1 Ų102.161%0.60653%0.526SS*.Hα-helixtrans-62.3-40.4174-174.965.275.300111.4T307 L308 H314 T315T307-M311 WeakPolarHBondContact O-CB 3.45Å; T307-M311 PolarHBondContact O-N 2.95Å; L308-M311 PolarHBondContact O-N 3.03Å; M311-H314 PolarHBondContact O-N 3.19Å; M311-T315 WeakPolarHBondContact O-CB 3.44Å; M311-T315 PolarHBondContact O-N 2.77Å; M311-T315 PolarHBondContact O-OG1 2.97Å
312Y82Confident73.1Confident135 Ų135112 Ų11253%0.52956%0.562SS.*Hα-helixtrans-67.1-45.4177-177.6-104.9000112.4L308 L309 L310 H314 T315 M316L308-Y312 VanDerWaalsContact O-CB 3.31Å; L308-Y312 WeakPolarHBondContact O-CB 3.19Å; L308-Y312 PolarHBondContact O-N 2.91Å; L309-Y312 PolarHBondContact O-N 3.34Å; L310-Y312 VanDerWaalsContact C-N 3.32Å; L310-Y312 PolarHBondContact O-N 2.88Å; Y312-H314 VanDerWaalsContact C-N 3.32Å; Y312-H314 PolarHBondContact O-N 2.83Å; Y312-T315 PolarHBondContact O-N 3.06Å; Y312-T315 VanDerWaalsContact O-N 3.15Å; Y312-M316 HydrophobicContact CD1-CG 4.43Å; Y312-M316 HydrophobicContact CE1-CG 4.08Å; Y312-M316 HydrophobicContact CE2-CE 3.98Å; Y312-M316 HydrophobicContact CE2-CG 4.33Å; Y312-M316 WeakPolarHBondContact O-CB 3.28Å; Y312-M316 PolarHBondContact O-N 3.38Å; Y312-M316 VanDerWaalsContact OH-CE 3.24Å; Y312-M316 WeakPolarHBondContact OH-CE 3.44Å
313L82.4Confident71.5Confident71 Ų71120 Ų12037%0.37259%0.588SS.*Hα-helixtrans-61.8-37.6174.3-98.262.4000112.5L309 L310 W318L309-L313 HydrophobicContact CD1-CD1 3.74Å; L309-L313 HydrophobicContact CG-CD1 4.18Å; L309-L313 WeakPolarHBondContact O-CB 3.47Å; L309-L313 WeakPolarHBondContact O-CD1 3.24Å; L309-L313 PolarHBondContact O-N 3.02Å; L310-L313 PolarHBondContact O-N 3.4Å; L313-W318 HydrophobicContact CD2-CE3 4.34Å; L313-W318 HydrophobicContact CD2-CZ3 4.35Å
314H76.9Confident70Confident139 Ų139120.4 Ų120.464%0.64460%0.597SS**Hα-helixtrans-64.2-43.9172.4177.3-90000111.5L310 M311 Y312 G317L310-H314 WeakPolarHBondContact O-CB 3.2Å; L310-H314 PolarHBondContact O-N 2.91Å; M311-H314 PolarHBondContact O-N 3.19Å; Y312-H314 VanDerWaalsContact C-N 3.32Å; Y312-H314 PolarHBondContact O-N 2.83Å; H314-G317 PolarHBondContact O-N 3.34Å
315T69.5Low68.4Low105 Ų105120.9 Ų120.964%0.64461%0.609SS**Hα-helixtrans-67.4-35.6179.2-55.10000112.2M311 Y312 G317M311-T315 WeakPolarHBondContact O-CB 3.44Å; M311-T315 PolarHBondContact O-N 2.77Å; M311-T315 PolarHBondContact O-OG1 2.97Å; Y312-T315 PolarHBondContact O-N 3.06Å; Y312-T315 VanDerWaalsContact O-N 3.15Å; T315-G317 PolarHBondContact O-N 2.78Å; T315-G317 VanDerWaalsContact O-N 3.16Å
316M66.4Low66.7Low121 Ų121125.1 Ų125.160%0.59664%0.639SS**THydrogen-bonded Turntrans-72.54.5176.5-82.7-65.4-176.200114.6Y312 W318Y312-M316 HydrophobicContact CD1-CG 4.43Å; Y312-M316 HydrophobicContact CE1-CG 4.08Å; Y312-M316 HydrophobicContact CE2-CE 3.98Å; Y312-M316 HydrophobicContact CE2-CG 4.33Å; Y312-M316 WeakPolarHBondContact O-CB 3.28Å; Y312-M316 PolarHBondContact O-N 3.38Å; Y312-M316 VanDerWaalsContact OH-CE 3.24Å; Y312-M316 WeakPolarHBondContact OH-CE 3.44Å; M316-W318 VanDerWaalsContact C-N 3.3Å; M316-W318 PolarHBondContact O-N 3.08Å
317G61.8Low65.1Low50 Ų50129 Ų12952%0.51566%0.66SS.*THydrogen-bonded Turntrans64.428.8164.600000115.1H314 T315 F319H314-G317 PolarHBondContact O-N 3.34Å; T315-G317 PolarHBondContact O-N 2.78Å; T315-G317 VanDerWaalsContact O-N 3.16Å; G317-F319 PolarHBondContact O-N 2.98Å
318W59.6Low63Low180 Ų180132.9 Ų132.968%0.68267%0.672SS**  trans-62.4-13.4-178.5-174.526.9000113.6L313 M316 P320 M386L313-W318 HydrophobicContact CD2-CE3 4.34Å; L313-W318 HydrophobicContact CD2-CZ3 4.35Å; M316-W318 VanDerWaalsContact C-N 3.3Å; M316-W318 PolarHBondContact O-N 3.08Å; W318-P320 WeakPolarHBondContact O-CD 3.35Å; W318-M386 HydrophobicContact CH2-CE 3.63Å; W318-M386 HydrophobicContact CH2-SD 4.41Å; W318-M386 HydrophobicContact CZ2-CE 4.05Å
319F49.8Very low61.1Low156 Ų156131.5 Ų131.568%0.68468%0.675SS**SBendtrans-78.6113.8165.8-72.4-77000110.8G317 F321G317-F319 PolarHBondContact O-N 2.98Å; F319-F321 HydrophobicContact CB-CD2 4.25Å; F319-F321 PolarHBondContact O-N 3.42Å
320P55.2Low59Low118 Ų118131.9 Ų131.977%0.76668%0.684SS**  trans-78.336.1-171.434.7-38.3000113.9W318 R322W318-P320 WeakPolarHBondContact O-CD 3.35Å; P320-R322 PolarHBondContact O-N 2.9Å
321F53.3Low56.5Low179 Ų179134.7 Ų134.779%0.78569%0.694SS**  trans-77.558.9170.2-70-68.1000111.1F319 R323F319-F321 HydrophobicContact CB-CD2 4.25Å; F319-F321 PolarHBondContact O-N 3.42Å; F321-R323 PolarHBondContact O-N 3.19Å
322R50.2Low54.4Low236 Ų236137.9 Ų137.989%0.89170%0.704SS**  trans-57.3104.9156.1-77.7-170.7177.2-167.2-0.7106.8P320 P324P320-R322 PolarHBondContact O-N 2.9Å; R322-P324 WeakPolarHBondContact O-CD 3.24Å
323R47.5Very low52.3Low232 Ų232139.8 Ų139.888%0.87572%0.718SS**PPolyproline II helixtrans-54.9125.7160.2-62.6176.9-174.5162.72.3106F321 A325F321-R323 PolarHBondContact O-N 3.19Å; R323-A325 PolarHBondContact O-N 3.38Å
324P50.1Low50.2Low120 Ų120142 Ų14278%0.77974%0.737SS**PPolyproline II helixtrans-53.1132.5169.9-24.834.7000108.3R322R322-P324 WeakPolarHBondContact O-CD 3.24Å
325A48.4Very low48.4Very low81 Ų81140.7 Ų140.767%0.66974%0.741SS**PPolyproline II helixtrans-56.6136.2167.600000107.5R323 V327R323-A325 PolarHBondContact O-N 3.38Å; A325-V327 PolarHBondContact O-N 3.27Å
326P48.5Very low46.9Very low124 Ų124145.2 Ų145.281%0.80576%0.755SS**  trans-61.2108.1175.425.6-32.4000107.6Q328P326-Q328 PolarHBondContact O-N 3.31Å
327V47.3Very low45.7Very low142 Ų142145.2 Ų145.286%0.86176%0.761SS**  trans-57.6114.2176.3174.10000106.6A325 A329A325-V327 PolarHBondContact O-N 3.27Å; V327-A329 PolarHBondContact O-N 3.49Å
328Q40.6Very low44.5Very low166 Ų166150.6 Ų150.678%0.77677%0.773SS**  trans-69.4102.2-174.5-169162.410.700108.3P326P326-Q328 PolarHBondContact O-N 3.31Å
329A42.5Very low43.3Very low71 Ų71150 Ų15059%0.58778%0.777SS**  trans-55.5138.6178.300000109.4V327 H331V327-A329 PolarHBondContact O-N 3.49Å; A329-H331 PolarHBondContact O-N 3.36Å; A329-H331 VanDerWaalsContact O-N 3.08Å
330P40.8Very low42.5Very low111 Ų111149.1 Ų149.172%0.72178%0.78SS**  trans-54.4119.3177.8-27.135.4000110.9F332P330-F332 PolarHBondContact O-N 2.9Å
331H32.8Very low41.5Very low168 Ų168150.7 Ų150.778%0.77878%0.777SS**  trans-68.693.2176.5-104.2-76.1000109.5A329 Q333A329-H331 PolarHBondContact O-N 3.36Å; A329-H331 VanDerWaalsContact O-N 3.08Å; H331-Q333 PolarHBondContact O-N 2.75Å
332F37.6Very low40.4Very low190 Ų190150.8 Ų150.883%0.83378%0.78SS**PPolyproline II helixtrans-62.2122.1158.5-81.5-86.4000108.3P330P330-F332 PolarHBondContact O-N 2.9Å
333Q38.1Very low39.5Very low175 Ų175146.1 Ų146.182%0.81877%0.773SS**PPolyproline II helixtrans-72.2130.8178.1-65.3173.5-17.300109.4H331H331-Q333 PolarHBondContact O-N 2.75Å
334P36.7Very low38.8Very low118 Ų118143.4 Ų143.477%0.76677%0.77SS**PPolyproline II helixtrans-66.6125.3159.6-12.128000107.9E336P334-E336 PolarHBondContact O-N 2.84Å
335P40.8Very low37.9Very low111 Ų111144 Ų14472%0.72177%0.766SS**PPolyproline II helixtrans-69128.1178.527.3-33.3000110.6V337P335-V337 HydrophobicContact CB-CG2 4.28Å; P335-V337 PolarHBondContact O-N 3.41Å
336E36.3Very low37.1Very low201 Ų201149.8 Ų149.894%0.93977%0.771SS**  trans-71.5106172.2-174.7177.7118.600109.4P334P334-E336 PolarHBondContact O-N 2.84Å
337V41.4Very low36.2Very low121 Ų121150.8 Ų150.873%0.73377%0.77SS**  trans-119.782.1178.6-171.30000110.5P335 H339P335-V337 HydrophobicContact CB-CG2 4.28Å; P335-V337 PolarHBondContact O-N 3.41Å; V337-H339 PolarHBondContact O-N 2.8Å
338Q36.4Very low36.4Very low162 Ų162149 Ų14976%0.75776%0.76SS**  trans5.995.8143.8-169.8174.828.400115.7N340Q338-N340 HydrophobicContact CG-CB 4.49Å; Q338-N340 PolarHBondContact O-N 3.45Å
339H34.2Very low35.9Very low167 Ų167149.2 Ų149.277%0.77376%0.762SS**  trans-73.592.8168.3-177.186000109.7V337V337-H339 PolarHBondContact O-N 2.8Å
340N33.5Very low35.4Very low139 Ų139152.5 Ų152.574%0.74376%0.764SS**  trans-127144.8164.3-152.57.3000109.1Q338Q338-N340 HydrophobicContact CG-CB 4.49Å; Q338-N340 PolarHBondContact O-N 3.45Å
341Q34.3Very low34.9Very low151 Ų151152.9 Ų152.971%0.70676%0.761SS**  trans-89.4170.9-162.5-62.3177.94.400113
342Q29.8Very low34.8Very low180 Ų180152.9 Ų152.984%0.84176%0.761SS**  trans74.5118.6160.4-159.5168.9-1400114
343N31Very low34.5Very low139 Ų139147.6 Ų147.674%0.74375%0.752SS**  -153.5167.451.8-155.471.5000113.8
344E33.7Very low34.1Very low175 Ų175148.8 Ų148.882%0.81876%0.758SS**  trans-78145.9170-70.6154.843.900112.7
345D30.9Very low33.8Very low132 Ų132151.7 Ų151.771%0.70676%0.761SS**  163.1154.7105.7-168.422.2000112.6
346R31.1Very low34.1Very low203 Ų203151.3 Ų151.377%0.76676%0.759SS**  trans81.285.3145.2-136.2173.6-162.583.73.2124
347N30.4Very low34Very low145 Ų145145.8 Ų145.878%0.77575%0.747SS**  62.8136.9128.4-155.182.9000122.5
348P50.6Low33.5Very low103 Ų103147.9 Ų147.967%0.66975%0.754SS**  trans-104.6156.6179.440-34.5000115.8
349E30Very low33.2Very low171 Ų171143 Ų14380%0.79975%0.747SS**  trans166.7162.7154.9-100.1-172.793.900108.4
350H33.3Very low33Very low140 Ų140143.2 Ų143.265%0.64875%0.749SS**  cis-147.1179.83.5-159.979000111.4
351N29.2Very low33Very low120 Ų120143.2 Ų143.264%0.64275%0.747SS**  trans-62.1161.3-176.9-59.1-72.4000118.1
352H31.5Very low33Very low168 Ų168142.3 Ų142.378%0.77875%0.752SS**  173.9129.7119.1-91.8-79.3000107.6
353A30.7Very low33Very low79 Ų79136.5 Ų136.565%0.65374%0.74SS**  cis84.5105.934.700000114.6
354E31.2Very low32.9Very low200 Ų200139 Ų13994%0.93575%0.747SS**  179.2167.6125.7-97.3178.4102.900113.9
355E29.1Very low32.7Very low179 Ų179134.9 Ų134.984%0.83674%0.743SS**  trans-104.3-166.2-177-119.5-17480.300109.9
356P47.2Very low32.6Very low103 Ų103132.3 Ų132.367%0.66974%0.74SS**  cis-134.5-147.8-35.735.6-14.3000112.3
357A33.4Very low32.7Very low84 Ų84131.3 Ų131.369%0.69474%0.744SS**  trans85.1142.5150.400000118.9
358D31.6Very low32.7Very low166 Ų166132.9 Ų132.989%0.88875%0.747SS**  cis-160.9168.8-12.6-135.4-37000114
359G31.3Very low31.7Very low59 Ų59132.2 Ų132.261%0.60875%0.745SS**  trans84.9148.4160.900000117.5
360Q29.2Very low31.7Very low172 Ų172132.6 Ų132.680%0.80475%0.747SS**  cis-154.9132-2.6-176.58521.400110.9
361I34.2Very low31.7Very low138 Ų138133.5 Ų133.571%0.70875%0.751SS**  trans-18.6147.6153.4-6.2173.8000115.5
362V32.6Very low31.9Very low133 Ų133136 Ų13681%0.80676%0.763SS**  cis-158.4163.633.9-163.80000108.6
363G30Very low32.2Very low58 Ų58135.4 Ų135.460%0.59876%0.763SS**  cis138142.8-6.900000113.6
364H29.9Very low32.4Very low190 Ų190138.2 Ų138.288%0.8877%0.772SS**  trans66.6139.7-178-68.7-90.3000117.2
365A28.4Very low32.6Very low90 Ų90132.6 Ų132.674%0.74476%0.76SS**  cis80.6135.124.300000115.1
366A30.3Very low33.1Very low78 Ų78130.8 Ų130.865%0.64576%0.76SS**  cis-163.6169.3-10.300000109.8
367E32.3Very low32.8Very low181 Ų181133.4 Ų133.485%0.84677%0.768SS**  trans61168.5164-72.7148.2-141.500116.1
368E30.8Very low33.1Very low178 Ų178135.1 Ų135.183%0.83277%0.77SS**  cis-143.2-168.4-5.4-141.8-178.2170.900110.8
369S29.8Very low33.6Very low90 Ų90132.3 Ų132.363%0.62976%0.76SS**  trans-80.3155.3-174.349.40000116.9
370E29.6Very low34.4Very low179 Ų179134.3 Ų134.384%0.83676%0.763SS**  172.7-175.5109.8-84.8-138.3140.200114.1
371E32.9Very low35.4Very low158 Ų158134.8 Ų134.874%0.73877%0.765SS**  trans-74154.7-152.2-52.9-174108.300118.8
372L33.2Very low36.1Very low173 Ų173138.9 Ų138.991%0.90677%0.771SS**  trans-150.9122.4138.4-129.2169.4000111.5
373M39.3Very low37.4Very low155 Ų155137 Ų13776%0.76476%0.76SS**  trans-72.2136.2-172.3-65.9174-89.200114.3
374T34.9Very low39.1Very low139 Ų139137.7 Ų137.785%0.85376%0.755SS**  trans-154.1128.1151.2-52.30000112.6
375A34.7Very low41Very low81 Ų81134.6 Ų134.667%0.66975%0.749SS**  trans41.2103.9161.200000120L377A375-L377 PolarHBondContact O-N 3.27Å; A375-L377 VanDerWaalsContact O-N 3.1Å
376V40.2Very low43.1Very low141 Ų141135.7 Ų135.786%0.85574%0.741SS**  trans-67.3104.5163176.40000110.5V378V376-V378 HydrophobicContact CG1-CG2 4.47Å
377L39.9Very low45.3Very low158 Ų158139.5 Ų139.583%0.82774%0.739SS**  trans-91.1100.2169-85.5165000110.4A375 P379A375-L377 PolarHBondContact O-N 3.27Å; A375-L377 VanDerWaalsContact O-N 3.1Å; L377-P379 WeakPolarHBondContact O-CD 3.31Å
378V40.9Very low47.6Very low120 Ų120134.5 Ų134.573%0.72772%0.72SS**PPolyproline II helixtrans-60.1124.3170.5177.40000109.2V376V376-V378 HydrophobicContact CG1-CG2 4.47Å
379P42Very low49.8Very low107 Ų107128.8 Ų128.870%0.69570%0.703SS**PPolyproline II helixtrans-59.1127176.6-24.734.6000110.5L377 H381L377-P379 WeakPolarHBondContact O-CD 3.31Å; P379-H381 PolarHBondContact O-N 2.9Å
380P48.3Very low52.2Low101 Ų101131.1 Ų131.166%0.65670%0.699SS**PPolyproline II helixtrans-62.2127.6-179.425-33.2000109.4R382P380-R382 VanDerWaalsContact C-N 3.29Å; P380-R382 PolarHBondContact O-N 3.08Å
381H50.2Low54.9Low183 Ų183125.8 Ų125.885%0.84768%0.678SS**  trans-66.787.1-178.7-128.764.4000109.5P379 V383P379-H381 PolarHBondContact O-N 2.9Å; H381-V383 VanDerWaalsContact C-N 3.26Å; H381-V383 PolarHBondContact O-N 2.92Å
382R48Very low57.3Low224 Ų224125.6 Ų125.685%0.84568%0.675SS**  trans-69.688.8173.6-68-165.7-174.4-81.42.8108P380 S384P380-R382 VanDerWaalsContact C-N 3.29Å; P380-R382 PolarHBondContact O-N 3.08Å; R382-S384 PolarHBondContact O-N 2.89Å
383V59.1Low59.6Low94 Ų94122.7 Ų122.757%0.5766%0.655SS**  trans-49.9112.8166.8-72.40000107.8H381 V385H381-V383 VanDerWaalsContact C-N 3.26Å; H381-V383 PolarHBondContact O-N 2.92Å; V383-V385 PolarHBondContact O-N 3.35Å
384S65.4Low61.5Low71 Ų71121.2 Ų121.250%0.49765%0.645SS.*  trans-58.2138.9-179.7176.70000108.5R382 M386 W387 T388R382-S384 PolarHBondContact O-N 2.89Å; S384-M386 PolarHBondContact O-N 2.93Å; S384-M386 WeakPolarHBondContact OG-CB 3.44Å; S384-M386 PolarHBondContact OG-N 2.81Å; S384-W387 WeakPolarHBondContact O-CA 3.46Å; S384-W387 WeakPolarHBondContact O-CB 3.3Å; S384-W387 PolarHBondContact O-N 3.43Å; S384-T388 PolarHBondContact O-N 3.07Å; S384-T388 PolarHBondContact O-OG1 2.88Å
385V71.6Confident63.4Low125 Ų125118.8 Ų118.876%0.75863%0.629SS**Hα-helixtrans-54.5-31.2175-178.30000110.4V383 T388 A389V383-V385 PolarHBondContact O-N 3.35Å; V385-T388 PolarHBondContact O-N 3.01Å; V385-A389 VanDerWaalsContact O-CB 3.26Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 3.01Å
386M72.1Confident65.5Low114 Ų114120.2 Ų120.256%0.56262%0.621SS**Hα-helixtrans-60.1-42.1171.3-157.667.55900113.2W318 S384 W390W318-M386 HydrophobicContact CH2-CE 3.63Å; W318-M386 HydrophobicContact CH2-SD 4.41Å; W318-M386 HydrophobicContact CZ2-CE 4.05Å; S384-M386 PolarHBondContact O-N 2.93Å; S384-M386 WeakPolarHBondContact OG-CB 3.44Å; S384-M386 PolarHBondContact OG-N 2.81Å; M386-W390 VanDerWaalsContact O-CB 3.24Å; M386-W390 WeakPolarHBondContact O-CB 3.38Å; M386-W390 PolarHBondContact O-N 2.82Å
387W75.3Confident67.2Low158 Ų158116.8 Ų116.860%0.59860%0.595SS**Hα-helixtrans-69.9-45177-178.4-95.5000111.1S384 A389 W390 V391S384-W387 WeakPolarHBondContact O-CA 3.46Å; S384-W387 WeakPolarHBondContact O-CB 3.3Å; S384-W387 PolarHBondContact O-N 3.43Å; W387-A389 VanDerWaalsContact C-N 3.33Å; W387-A389 PolarHBondContact O-N 2.87Å; W387-W390 PolarHBondContact O-N 3.34Å; W387-V391 WeakPolarHBondContact O-CG2 3.47Å; W387-V391 PolarHBondContact O-N 3.34Å
388T81.1Confident68.6Low76 Ų76113.1 Ų113.147%0.46658%0.582SS.*Hα-helixtrans-61.6-41.8177.2-43.20000111.3S384 V385 F392S384-T388 PolarHBondContact O-N 3.07Å; S384-T388 PolarHBondContact O-OG1 2.88Å; V385-T388 PolarHBondContact O-N 3.01Å; T388-F392 WeakPolarHBondContact O-CB 3.25Å; T388-F392 PolarHBondContact O-N 2.77Å
389A77.8Confident69.9Low57 Ų57112.3 Ų112.347%0.47158%0.582SS.*Hα-helixtrans-66.2-40.7174.300000112.5V385 W387 F392 F393V385-A389 VanDerWaalsContact O-CB 3.26Å; V385-A389 WeakPolarHBondContact O-CB 3.46Å; V385-A389 PolarHBondContact O-N 3.01Å; W387-A389 VanDerWaalsContact C-N 3.33Å; W387-A389 PolarHBondContact O-N 2.87Å; A389-F392 PolarHBondContact O-N 2.96Å; A389-F393 VanDerWaalsContact O-CB 3.31Å; A389-F393 WeakPolarHBondContact O-CB 3.39Å; A389-F393 PolarHBondContact O-N 2.87Å
390W79.8Confident71.3Confident140 Ų140111.9 Ų111.953%0.5357%0.573SS.*Hα-helixtrans-63.1-42.8175.7175.7-112000112.7M386 W387 K394M386-W390 VanDerWaalsContact O-CB 3.24Å; M386-W390 WeakPolarHBondContact O-CB 3.38Å; M386-W390 PolarHBondContact O-N 2.82Å; W387-W390 PolarHBondContact O-N 3.34Å; W390-K394 PolarHBondContact O-N 3.39Å
391V85.8Confident72.1Confident67 Ų67113.1 Ų113.141%0.40657%0.573SS.*Hα-helixtrans-62.5-49.6172.71730000110W387 F393 K394 T395W387-V391 WeakPolarHBondContact O-CG2 3.47Å; W387-V391 PolarHBondContact O-N 3.34Å; V391-F393 VanDerWaalsContact C-N 3.32Å; V391-F393 PolarHBondContact O-N 3.1Å; V391-K394 WeakPolarHBondContact O-CB 3.35Å; V391-K394 PolarHBondContact O-N 2.95Å; V391-T395 PolarHBondContact O-N 2.96Å; V391-T395 PolarHBondContact O-OG1 2.88Å
392F83.2Confident72.1Confident154 Ų154109.3 Ų109.368%0.67557%0.565SS**Hα-helixtrans-58.8-42.2-180-163-85000112.4T388 A389 T395 F396T388-F392 WeakPolarHBondContact O-CB 3.25Å; T388-F392 PolarHBondContact O-N 2.77Å; A389-F392 PolarHBondContact O-N 2.96Å; F392-T395 PolarHBondContact O-N 3.04Å; F392-F396 VanDerWaalsContact O-CB 3.3Å; F392-F396 WeakPolarHBondContact O-CB 3.39Å; F392-F396 PolarHBondContact O-N 3.23Å
393F82.1Confident72.4Confident112 Ų112107.8 Ų107.849%0.49157%0.567SS.*Hα-helixtrans-58.5-48172.8-178-85000111.5A389 V391 F396 F397A389-F393 VanDerWaalsContact O-CB 3.31Å; A389-F393 WeakPolarHBondContact O-CB 3.39Å; A389-F393 PolarHBondContact O-N 2.87Å; V391-F393 VanDerWaalsContact C-N 3.32Å; V391-F393 PolarHBondContact O-N 3.1Å; F393-F396 PolarHBondContact O-N 2.9Å; F393-F397 AromaticContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CE2 4.41Å; F393-F397 HydrophobicContact CD2-CD2 4.24Å; F393-F397 AromaticContact CD2-CE2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 3.92Å; F393-F397 AromaticContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CE2 4.01Å; F393-F397 HydrophobicContact CE2-CD2 4.06Å; F393-F397 AromaticContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CE2 3.49Å; F393-F397 VanDerWaalsContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CZ 4.49Å; F393-F397 HydrophobicContact CG-CD2 4.21Å; F393-F397 HydrophobicContact CG-CE2 4.36Å; F393-F397 AromaticContact CZ-CD2 3.81Å; F393-F397 HydrophobicContact CZ-CD2 3.81Å; F393-F397 AromaticContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CZ 4.47Å; F393-F397 WeakPolarHBondContact O-CD2 3.49Å; F393-F397 PolarHBondContact O-N 3.07Å; F393-F397 VanDerWaalsContact O-N 3.08Å
394K78.6Confident71.9Confident124 Ų124109.5 Ų109.554%0.53958%0.577SS.*Hα-helixtrans-60.3-45.8176.5-82.1-74.3-173.21750112.4W390 V391 S398W390-K394 PolarHBondContact O-N 3.39Å; V391-K394 WeakPolarHBondContact O-CB 3.35Å; V391-K394 PolarHBondContact O-N 2.95Å; K394-S398 WeakPolarHBondContact O-CB 3.4Å; K394-S398 PolarHBondContact O-N 3.27Å
395T76.6Confident71Confident87 Ų87110.4 Ų110.453%0.53459%0.589SS.*Hα-helixtrans-66.4-41179.4-38.60000111.6V391 F392 S398 S399V391-T395 PolarHBondContact O-N 2.96Å; V391-T395 PolarHBondContact O-OG1 2.88Å; F392-T395 PolarHBondContact O-N 3.04Å; T395-S398 PolarHBondContact O-N 3.03Å; T395-S399 WeakPolarHBondContact O-CB 3.26Å; T395-S399 PolarHBondContact O-N 2.79Å
396F77.8Confident69.7Low112 Ų112113.4 Ų113.449%0.49160%0.595SS.*Hα-helixtrans-59.2-48.7176.8179.1-97.8000112F392 F393 S398 S399 L400F392-F396 VanDerWaalsContact O-CB 3.3Å; F392-F396 WeakPolarHBondContact O-CB 3.39Å; F392-F396 PolarHBondContact O-N 3.23Å; F393-F396 PolarHBondContact O-N 2.9Å; F396-S398 PolarHBondContact O-N 3.44Å; F396-S399 PolarHBondContact O-N 2.89Å; F396-L400 HydrophobicContact CD1-CD1 4.11Å; F396-L400 HydrophobicContact CE1-CD1 3.66Å; F396-L400 HydrophobicContact CZ-CD1 4.18Å; F396-L400 PolarHBondContact O-N 3.35Å
397F75.1Confident68.4Low69 Ų69111.4 Ų111.430%0.30360%0.603SS.*Hα-helixtrans-71.2-28177.3-79.6-74.1000113.7L302 F393 S399 L400L302-F397 HydrophobicContact CD1-CE1 3.72Å; L302-F397 HydrophobicContact CD1-CZ 3.92Å; F393-F397 AromaticContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CD2 4Å; F393-F397 HydrophobicContact CD1-CE2 4.41Å; F393-F397 HydrophobicContact CD2-CD2 4.24Å; F393-F397 AromaticContact CD2-CE2 3.92Å; F393-F397 HydrophobicContact CD2-CE2 3.92Å; F393-F397 AromaticContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CD2 3.78Å; F393-F397 HydrophobicContact CE1-CE2 4.01Å; F393-F397 HydrophobicContact CE2-CD2 4.06Å; F393-F397 AromaticContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CE2 3.49Å; F393-F397 VanDerWaalsContact CE2-CE2 3.49Å; F393-F397 HydrophobicContact CE2-CZ 4.49Å; F393-F397 HydrophobicContact CG-CD2 4.21Å; F393-F397 HydrophobicContact CG-CE2 4.36Å; F393-F397 AromaticContact CZ-CD2 3.81Å; F393-F397 HydrophobicContact CZ-CD2 3.81Å; F393-F397 AromaticContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CE2 3.53Å; F393-F397 HydrophobicContact CZ-CZ 4.47Å; F393-F397 WeakPolarHBondContact O-CD2 3.49Å; F393-F397 PolarHBondContact O-N 3.07Å; F393-F397 VanDerWaalsContact O-N 3.08Å; F397-S399 VanDerWaalsContact C-N 3.33Å; F397-L400 HydrophobicContact CD1-CD1 3.82Å; F397-L400 HydrophobicContact CE1-CD1 3.94Å; F397-L400 PolarHBondContact O-N 3.43Å
398S70.2Confident66.8Low81 Ų81112.9 Ų112.957%0.56662%0.619SS**Hα-helixtrans-66.1-36.5169.3-160.10000111.8K394 T395 F396 L400 I401K394-S398 WeakPolarHBondContact O-CB 3.4Å; K394-S398 PolarHBondContact O-N 3.27Å; T395-S398 PolarHBondContact O-N 3.03Å; F396-S398 PolarHBondContact O-N 3.44Å; S398-L400 PolarHBondContact O-N 3.22Å; S398-I401 PolarHBondContact O-N 2.88Å
399S68.5Low65Low102 Ų102113.8 Ų113.871%0.71363%0.634SS**THydrogen-bonded Turntrans-73.8-11.2177.6-171.70000114T395 F396 F397T395-S399 WeakPolarHBondContact O-CB 3.26Å; T395-S399 PolarHBondContact O-N 2.79Å; F396-S399 PolarHBondContact O-N 2.89Å; F397-S399 VanDerWaalsContact C-N 3.33Å
400L70.3Confident63.3Low99 Ų99122.5 Ų122.552%0.51867%0.673SS.*THydrogen-bonded Turntrans-87.2-5.3173.7-73.1172.3000113.2F396 F397 S398 P402F396-L400 HydrophobicContact CD1-CD1 4.11Å; F396-L400 HydrophobicContact CE1-CD1 3.66Å; F396-L400 HydrophobicContact CZ-CD1 4.18Å; F396-L400 PolarHBondContact O-N 3.35Å; F397-L400 HydrophobicContact CD1-CD1 3.82Å; F397-L400 HydrophobicContact CE1-CD1 3.94Å; F397-L400 PolarHBondContact O-N 3.43Å; S398-L400 PolarHBondContact O-N 3.22Å; L400-P402 WeakPolarHBondContact O-CD 3.44Å
401I66.4Low62.4Low126 Ų126121.6 Ų121.665%0.64668%0.68SS**SBendtrans-98.7107.9171.2-58.5170.1000106.7S398 E403S398-I401 PolarHBondContact O-N 2.88Å; I401-E403 PolarHBondContact O-N 2.98Å
402P50.1Low61.2Low104 Ų104124.5 Ų124.568%0.67569%0.694SS**  trans-66.6126.5172.927.5-32.7000109.1L400 V404L400-P402 WeakPolarHBondContact O-CD 3.44Å; P402-V404 PolarHBondContact O-N 3.31Å
403E53.9Low60Low192 Ų192122.8 Ų122.890%0.89770%0.695SS**  trans-62.5106.7167.9-73-167.2139.800108.8I401 A405I401-E403 PolarHBondContact O-N 2.98Å; E403-A405 VanDerWaalsContact C-N 3.3Å; E403-A405 PolarHBondContact O-N 3.42Å
404V49.5Very low58.7Low130 Ų130123.5 Ų123.579%0.78871%0.707SS**  trans-69.695.4167.2178.80000106.6P402 Q406P402-V404 PolarHBondContact O-N 3.31Å; V404-Q406 PolarHBondContact O-N 2.85Å
405A45.2Very low57.4Low89 Ų89123.4 Ų123.474%0.73672%0.718SS**  trans-50.7113.7175.700000109.4E403 G407E403-A405 VanDerWaalsContact C-N 3.3Å; E403-A405 PolarHBondContact O-N 3.42Å; A405-G407 PolarHBondContact O-N 2.76Å
406Q45.4Very low56.2Low189 Ų189125.9 Ų125.988%0.88373%0.73SS**  trans-66.3103.3175.6-68.3-172.6-78.800108V404 M408V404-Q406 PolarHBondContact O-N 2.85Å; Q406-M408 PolarHBondContact O-N 3.23Å
407G44.3Very low54.6Low71 Ų71126.9 Ų126.973%0.73275%0.747SS**  trans-56.5126.8177.100000110.1A405 A409A405-G407 PolarHBondContact O-N 2.76Å; G407-A409 PolarHBondContact O-N 3.1Å; G407-A409 VanDerWaalsContact O-N 3.12Å
408M40.9Very low53.1Low190 Ų190131.3 Ų131.394%0.93678%0.781SS**  trans-62.1114.8173.2-70.9-177.1173.600109.1Q406Q406-M408 PolarHBondContact O-N 3.23Å
409A44.2Very low51.6Low95 Ų95135.5 Ų135.579%0.78580%0.799SS**  trans-87.1118166.300000109G407G407-A409 PolarHBondContact O-N 3.1Å; G407-A409 VanDerWaalsContact O-N 3.12Å
410N40.9Very low50.1Low239 Ų239138.5 Ų138.5100%1.27881%0.807SS**  trans-155.30164.1-96.2-28.1000107.5

Retrieved 410 of 410 residues in 167.7 ms (Link to these results)